data_r5exqsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-11-30 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5exq 
_cell.length_a      56.7913 
_cell.length_b      35.9651 
_cell.length_c      59.9368 
_cell.angle_alpha   90.0000 
_cell.angle_beta    115.6319 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.95370 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.596 
_diffrn_reflns.pdbx_d_res_low    54.039 
_diffrn_reflns.limit_h_max       32 
_diffrn_reflns.limit_h_min       -35 
_diffrn_reflns.limit_k_max       22 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       37 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            29387 
_diffrn_reflns.pdbx_number_obs   26377 
# 
_entry.id   5exq 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5exq 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -35 0  10 o 38.85070 23.06825 242.8348       266.5218 242.8348       266.5218 242.8348       266.5218 38.85070 23.06825 38.85070 23.06825 0.000000       0.000000 
1 1 1 -35 0  11 o 37.37980 21.77933 220.9917       229.9250 220.9917       229.9250 220.9917       229.9250 37.37980 21.77933 37.37980 21.77933 0.000000       0.000000 
1 1 1 -35 0  12 o 24.08223 16.88128 -175.0619      262.4633 -175.0619      262.4633 -175.0619      262.4633 24.08223 16.88128 24.08223 16.88128 -0.000000      0.000000 
1 1 1 -35 0  13 o 34.22806 22.96565 69.15433       377.3555 69.15433       377.3555 69.15433       377.3555 34.22806 22.96565 34.22806 22.96565 0.000000       0.000000 
1 1 1 -35 0  14 o 76.41830 28.37777 856.6456       344.1064 856.6456       344.1064 856.6456       344.1064 76.41830 28.37777 76.41830 28.37777 -0.000000      0.000000 
1 1 1 -35 0  15 o 54.02114 30.25681 618.1890       419.4077 618.1890       419.4077 618.1890       419.4077 54.02114 30.25681 54.02114 30.25681 0.000000       0.000000 
1 1 1 -35 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 1  11 o 59.83983 17.25619 416.1382       186.0471 175.2926       219.4284 1032.048       350.8990 43.16823 17.97356 86.58707 23.24384 -43.41884      29.38239 
1 1 1 -35 1  12 o 59.05291 17.41198 409.6664       187.5545 402.5293       229.8588 423.8841       324.4239 56.27002 19.55075 54.89388 22.24297 1.376137       29.61387 
1 1 1 -35 1  13 o 71.79417 16.64586 582.7675       200.1068 362.3805       246.5357 1008.327       342.5840 53.03471 19.98490 85.31236 22.99429 -32.27765      30.46529 
1 1 1 -35 1  14 o 42.35368 18.33787 152.5457       244.2409 -61.78802      300.2017 572.2004       420.0624 37.69944 17.80051 58.01127 24.55420 -20.31183      30.32766 
1 1 1 -35 1  15 f 63.93544 25.07967 718.9396       399.2887 718.9396       399.2887 0.000000       0.000000 63.93544 25.07967 ?        ?        0.000000       25.07967 
1 1 1 -35 1  16 o 34.47844 16.84924 -267.5411      328.1721 -267.5411      328.1721 0.000000       0.000000 34.47844 16.84924 ?        ?        0.000000       16.84924 
1 1 1 -35 1  17 o 37.65254 18.50430 -269.5539      413.2557 -269.5539      413.2557 0.000000       0.000000 37.65254 18.50430 ?        ?        0.000000       18.50430 
1 1 1 -35 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 2  11 o 79.21890 13.92825 651.2152       181.5422 553.8187       215.5066 889.2447       336.9026 68.40132 18.14985 79.39332 23.31588 -10.99200      29.54737 
1 1 1 -35 2  12 o 48.44168 18.71005 276.3064       219.5804 374.8625       257.7317 15.35588       419.3776 53.59559 20.37667 43.72811 20.76249 9.867481       29.09106 
1 1 1 -35 2  13 o 35.48991 15.58679 54.05531       181.9008 172.1264       213.5801 -257.7706      347.0923 42.50574 17.71799 35.90858 17.49983 6.597153       24.90324 
1 1 1 -35 2  14 o 49.89591 20.50924 317.4285       280.6989 317.4285       280.6989 0.000000       0.000000 49.89591 20.50924 ?        ?        0.000000       20.50924 
1 1 1 -35 2  15 o 44.59098 19.26925 202.0907       268.6357 202.0907       268.6357 0.000000       0.000000 44.59098 19.26925 ?        ?        0.000000       19.26925 
1 1 1 -35 2  16 o 47.40868 20.62248 271.7296       311.7762 271.7296       311.7762 0.000000       0.000000 47.40868 20.62248 ?        ?        0.000000       20.62248 
1 1 1 -35 2  17 o 53.76722 23.41148 490.6900       402.5973 490.6900       402.5973 0.000000       0.000000 53.76722 23.41148 ?        ?        0.000000       23.41148 
1 1 1 -35 2  18 o 48.23894 21.21153 319.8194       337.7638 319.8194       337.7638 0.000000       0.000000 48.23894 21.21153 ?        ?        0.000000       21.21153 
1 1 1 -35 2  19 o 58.74168 23.51343 624.5580       357.7718 624.5580       357.7718 0.000000       0.000000 58.74168 23.51343 ?        ?        0.000000       23.51343 
1 1 1 -35 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 3  12 o 62.86236 18.27845 478.5409       207.9702 478.5409       207.9702 0.000000       0.000000 62.86236 18.27845 ?        ?        0.000000       18.27845 
1 1 1 -35 3  13 o 47.54026 18.28794 265.8519       209.1262 265.8519       209.1262 0.000000       0.000000 47.54026 18.28794 ?        ?        0.000000       18.28794 
1 1 1 -35 3  14 o 45.53581 19.32302 225.8863       261.2057 225.8863       261.2057 0.000000       0.000000 45.53581 19.32302 ?        ?        0.000000       19.32302 
1 1 1 -35 3  15 o 42.17887 17.83560 172.2113       221.2908 172.2113       221.2908 0.000000       0.000000 42.17887 17.83560 ?        ?        0.000000       17.83560 
1 1 1 -35 3  16 o 45.15067 19.68682 223.0389       285.5669 223.0389       285.5669 0.000000       0.000000 45.15067 19.68682 ?        ?        0.000000       19.68682 
1 1 1 -35 3  17 o 42.45533 19.71299 113.8203       343.0576 113.8203       343.0576 0.000000       0.000000 42.45533 19.71299 ?        ?        0.000000       19.71299 
1 1 1 -35 3  18 o 66.34319 23.28588 726.1173       326.4719 726.1173       326.4719 0.000000       0.000000 66.34319 23.28588 ?        ?        0.000000       23.28588 
1 1 1 -35 3  19 o 69.28856 23.99442 829.6188       346.0846 829.6188       346.0846 0.000000       0.000000 69.28856 23.99442 ?        ?        0.000000       23.99442 
1 1 1 -35 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  6  o 23.46966 15.94170 -58.25597      193.0113 -58.25597      193.0113 -58.25597      193.0113 23.46966 15.94170 23.46966 15.94170 -0.000000      0.000000 
1 1 1 -34 0  7  o 38.50129 21.01786 227.7409       196.5443 227.7409       196.5443 227.7409       196.5443 38.50129 21.01786 38.50129 21.01786 0.000000       0.000000 
1 1 1 -34 0  8  o 55.49317 22.50744 422.6235       208.9093 422.6235       208.9093 422.6235       208.9093 55.49317 22.50744 55.49317 22.50744 -0.000000      0.000000 
1 1 1 -34 0  9  o 37.58497 21.27819 214.3645       210.4322 214.3645       210.4322 214.3645       210.4322 37.58497 21.27819 37.58497 21.27819 -0.000000      0.000000 
1 1 1 -34 0  10 f 34.39791 21.58622 138.5476       263.9145 138.5476       263.9145 138.5476       263.9145 34.39791 21.58622 34.39791 21.58622 0.000000       0.000000 
1 1 1 -34 0  11 o 40.25005 22.55750 254.2275       233.3086 254.2275       233.3086 254.2275       233.3086 40.25005 22.55750 40.25005 22.55750 -0.000000      0.000000 
1 1 1 -34 0  12 o 21.26859 15.35128 -428.8434      284.8599 -428.8434      284.8599 -428.8434      284.8599 21.26859 15.35128 21.26859 15.35128 0.000000       0.000000 
1 1 1 -34 0  13 o 30.75160 21.27028 -122.7620      380.6111 -122.7620      380.6111 -122.7620      380.6111 30.75160 21.27028 30.75160 21.27028 0.000000       0.000000 
1 1 1 -34 0  14 o 28.88828 19.85119 -92.56027      318.7697 -92.56027      318.7697 -92.56027      318.7697 28.88828 19.85119 28.88828 19.85119 -0.000000      0.000000 
1 1 1 -34 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  6  o 45.92688 14.38121 219.3364       125.3756 240.6309       160.9125 186.4352       200.0145 47.38598 16.36391 44.14620 17.61187 3.239780       24.04071 
1 1 1 -34 1  7  o 28.72781 12.89812 -18.90360      131.6277 96.23730       155.8968 -304.7921      245.6523 36.99435 15.25441 29.94759 14.62273 7.046759       21.13105 
1 1 1 -34 1  8  o 56.82981 16.68747 357.8417       172.5859 385.6179       228.2805 320.7847       263.6743 56.76744 19.49710 52.36448 20.42492 4.402958       28.23676 
1 1 1 -34 1  9  o 42.70112 15.57722 181.4642       147.6289 250.8780       197.0910 92.73849       222.8276 48.22284 17.92789 40.38804 17.50117 7.834801       25.05394 
1 1 1 -34 1  10 o 45.52878 16.40318 215.0628       162.9714 172.9496       207.2461 283.3013       263.8101 43.74669 17.75977 50.58760 20.21173 -6.840908      26.90582 
1 1 1 -34 1  11 o 64.36872 18.57360 480.0187       215.4792 350.2377       264.0752 738.5915       372.7464 54.14207 20.61600 71.24267 24.88844 -17.10059      32.31802 
1 1 1 -34 1  12 o 30.22467 14.22991 -118.0560      189.3320 -152.5191      217.4450 -10.02717      384.9835 31.46563 14.94312 43.88554 20.54325 -12.41990      25.40319 
1 1 1 -34 1  13 o 89.24948 16.49340 856.4684       242.1131 963.9028       343.5773 750.4944       341.2340 85.95426 22.96888 73.38584 23.81243 12.56842       33.08475 
1 1 1 -34 1  14 o 54.23763 21.74968 368.8159       306.7160 368.8159       306.7160 0.000000       0.000000 54.23763 21.74968 ?        ?        0.000000       21.74968 
1 1 1 -34 1  15 o 52.93783 23.04247 344.1254       389.7395 344.1254       389.7395 0.000000       0.000000 52.93783 23.04247 ?        ?        0.000000       23.04247 
1 1 1 -34 1  16 o 29.05110 14.59247 -671.6441      319.8265 -671.6441      319.8265 0.000000       0.000000 29.05110 14.59247 ?        ?        0.000000       14.59247 
1 1 1 -34 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 2  7  o 116.4098 7.840250 1226.601       154.9476 1072.305       196.8322 1478.022       251.2571 105.9305 11.04348 123.2220 12.09661 -17.29151      16.37945 
1 1 1 -34 2  8  o 69.04123 12.25247 471.0274       139.1649 716.8700       172.1203 6.906442       236.4935 85.56754 12.11811 37.56258 17.03682 48.00496       20.90698 
1 1 1 -34 2  9  o 30.15935 14.01247 -78.73594      173.7746 -62.89675      203.9240 -120.7390      332.0799 33.11769 15.31408 39.07666 18.53115 -5.958973      24.04006 
1 1 1 -34 2  10 o 79.57865 13.99956 644.8598       183.2986 716.4304       208.6389 402.7432       383.7429 82.66325 15.34518 55.72157 23.52043 26.94168       28.08353 
1 1 1 -34 2  11 o 53.67751 18.13407 329.8063       197.4076 422.4939       246.9201 165.6222       328.6331 58.59818 20.26879 46.83673 20.74335 11.76145       29.00191 
1 1 1 -34 2  12 f 98.53153 12.32787 950.2422       202.8870 1097.738       231.9557 469.9232       418.5818 104.9924 13.23117 57.87627 24.50474 47.11618       27.84863 
1 1 1 -34 2  13 o 60.35227 19.23520 437.3035       223.4151 437.3035       223.4151 0.000000       0.000000 60.35227 19.23520 ?        ?        0.000000       19.23520 
1 1 1 -34 2  14 o 83.42036 17.72984 780.6426       244.7845 780.6426       244.7845 0.000000       0.000000 83.42036 17.72984 ?        ?        0.000000       17.72984 
1 1 1 -34 2  15 f 43.44016 19.37247 115.1760       291.6449 115.1760       291.6449 0.000000       0.000000 43.44016 19.37247 ?        ?        0.000000       19.37247 
1 1 1 -34 2  16 o 56.42445 22.26807 436.7788       316.5734 436.7788       316.5734 0.000000       0.000000 56.42445 22.26807 ?        ?        0.000000       22.26807 
1 1 1 -34 2  17 o 68.56721 25.51049 779.4027       399.2150 779.4027       399.2150 0.000000       0.000000 68.56721 25.51049 ?        ?        0.000000       25.51049 
1 1 1 -34 2  18 o 36.29707 17.51295 -187.9083      325.6285 -187.9083      325.6285 0.000000       0.000000 36.29707 17.51295 ?        ?        0.000000       17.51295 
1 1 1 -34 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 2  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 3  7  o 42.32921 15.33788 180.5429       142.7801 171.3346       180.7167 195.8394       232.9175 42.54185 16.81336 45.25531 18.65143 -2.713463      25.11106 
1 1 1 -34 3  8  o 116.5184 8.505515 1242.836       168.0685 1241.341       197.2499 1246.798       321.0808 114.8290 10.16421 104.6963 18.64234 10.13270       21.23318 
1 1 1 -34 3  9  o 77.70575 11.76719 589.7835       151.2578 510.0844       171.0780 875.1952       323.7453 69.64928 14.83809 81.79041 22.48264 -12.14114      26.93766 
1 1 1 -34 3  10 o 37.73041 15.06905 116.7856       146.5802 3.761794       157.3823 856.3730       402.5926 32.05610 14.26807 74.21616 25.86914 -42.16007      29.54303 
1 1 1 -34 3  11 o 51.66148 16.73622 297.2934       168.6115 309.8311       194.6297 259.5781       337.5673 51.99392 17.99449 49.85837 21.57288 2.135548       28.09254 
1 1 1 -34 3  12 o 75.20948 16.85811 623.8804       211.1573 623.8804       211.1573 0.000000       0.000000 75.20948 16.85811 ?        ?        0.000000       16.85811 
1 1 1 -34 3  13 o 49.44933 18.34649 276.4098       206.1950 276.4098       206.1950 0.000000       0.000000 49.44933 18.34649 ?        ?        0.000000       18.34649 
1 1 1 -34 3  14 f 74.97060 17.81833 641.1015       224.7595 641.1015       224.7595 0.000000       0.000000 74.97060 17.81833 ?        ?        0.000000       17.81833 
1 1 1 -34 3  15 o 41.18852 18.42217 82.65038       265.8083 82.65038       265.8083 0.000000       0.000000 41.18852 18.42217 ?        ?        0.000000       18.42217 
1 1 1 -34 3  16 o 90.38614 18.61099 951.7821       277.6897 951.7821       277.6897 0.000000       0.000000 90.38614 18.61099 ?        ?        0.000000       18.61099 
1 1 1 -34 3  17 o 31.45469 15.74699 -620.1984      357.5993 -620.1984      357.5993 0.000000       0.000000 31.45469 15.74699 ?        ?        0.000000       15.74699 
1 1 1 -34 3  18 o 100.7847 20.48105 1269.936       340.4731 1269.936       340.4731 0.000000       0.000000 100.7847 20.48105 ?        ?        0.000000       20.48105 
1 1 1 -34 3  19 o 57.81279 22.86173 527.4394       334.3003 527.4394       334.3003 0.000000       0.000000 57.81279 22.86173 ?        ?        0.000000       22.86173 
1 1 1 -34 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 4  8  f 84.29393 10.63800 679.1996       149.7194 624.0013       167.5563 897.8375       333.4729 78.89178 12.88199 81.75162 22.94785 -2.859833      26.31634 
1 1 1 -34 4  9  o 53.59254 14.95773 309.4025       142.1035 317.7193       156.3970 270.0400       340.2458 53.61391 15.92342 49.77592 21.59765 3.837986       26.83307 
1 1 1 -34 4  10 o 34.75701 14.70196 68.86282       150.4399 68.86282       150.4399 0.000000       0.000000 34.75701 14.70196 ?        ?        0.000000       14.70196 
1 1 1 -34 4  11 o 42.65113 16.03547 184.2049       158.5472 184.2049       158.5472 0.000000       0.000000 42.65113 16.03547 ?        ?        0.000000       16.03547 
1 1 1 -34 4  12 o 74.81565 14.42438 584.6835       177.6051 584.6835       177.6051 0.000000       0.000000 74.81565 14.42438 ?        ?        0.000000       14.42438 
1 1 1 -34 4  13 o 44.33205 17.42891 202.4865       193.2397 202.4865       193.2397 0.000000       0.000000 44.33205 17.42891 ?        ?        0.000000       17.42891 
1 1 1 -34 4  14 o 42.66540 17.32407 174.3552       197.2420 174.3552       197.2420 0.000000       0.000000 42.66540 17.32407 ?        ?        0.000000       17.32407 
1 1 1 -34 4  15 o 39.61323 17.75630 68.44862       248.3790 68.44862       248.3790 0.000000       0.000000 39.61323 17.75630 ?        ?        0.000000       17.75630 
1 1 1 -34 4  16 o 81.18902 17.16519 749.8638       230.5427 749.8638       230.5427 0.000000       0.000000 81.18902 17.16519 ?        ?        0.000000       17.16519 
1 1 1 -34 4  17 o 78.93501 18.25777 741.3415       241.2060 741.3415       241.2060 0.000000       0.000000 78.93501 18.25777 ?        ?        0.000000       18.25777 
1 1 1 -34 4  18 o 39.88295 18.77423 -0.1155882E-02 329.3391 -0.1155882E-02 329.3391 0.000000       0.000000 39.88295 18.77423 ?        ?        0.000000       18.77423 
1 1 1 -34 4  19 o 50.70776 21.26824 368.6915       310.5552 368.6915       310.5552 0.000000       0.000000 50.70776 21.26824 ?        ?        0.000000       21.26824 
1 1 1 -34 4  20 o 48.74522 21.41324 342.6790       343.4808 342.6790       343.4808 0.000000       0.000000 48.74522 21.41324 ?        ?        0.000000       21.41324 
1 1 1 -34 4  21 o 51.63659 23.30842 515.2162       436.5476 515.2162       436.5476 0.000000       0.000000 51.63659 23.30842 ?        ?        0.000000       23.30842 
1 1 1 -34 4  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 4  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 5  9  o 67.53879 14.28924 478.2706       159.6593 478.2706       159.6593 0.000000       0.000000 67.53879 14.28924 ?        ?        0.000000       14.28924 
1 1 1 -34 5  10 o 52.27385 15.79878 303.8936       152.9700 303.8936       152.9700 0.000000       0.000000 52.27385 15.79878 ?        ?        0.000000       15.79878 
1 1 1 -34 5  11 o 43.30494 15.79582 197.9605       151.7958 197.9605       151.7958 0.000000       0.000000 43.30494 15.79582 ?        ?        0.000000       15.79582 
1 1 1 -34 5  12 o 45.84803 16.19858 231.7117       158.1935 231.7117       158.1935 0.000000       0.000000 45.84803 16.19858 ?        ?        0.000000       16.19858 
1 1 1 -34 5  13 o 77.95957 16.14159 671.7091       207.8157 671.7091       207.8157 0.000000       0.000000 77.95957 16.14159 ?        ?        0.000000       16.14159 
1 1 1 -34 5  14 o 51.45864 17.34669 312.3926       180.6330 312.3926       180.6330 0.000000       0.000000 51.45864 17.34669 ?        ?        0.000000       17.34669 
1 1 1 -34 5  15 o 83.19007 15.61942 756.9959       213.7416 756.9959       213.7416 0.000000       0.000000 83.19007 15.61942 ?        ?        0.000000       15.61942 
1 1 1 -34 5  16 o 47.77810 19.37508 276.9185       246.3689 276.9185       246.3689 0.000000       0.000000 47.77810 19.37508 ?        ?        0.000000       19.37508 
1 1 1 -34 5  17 o 88.49718 15.83338 871.4393       230.4946 871.4393       230.4946 0.000000       0.000000 88.49718 15.83338 ?        ?        0.000000       15.83338 
1 1 1 -34 5  18 o 106.5336 15.74973 1267.037       277.8869 1267.037       277.8869 0.000000       0.000000 106.5336 15.74973 ?        ?        0.000000       15.74973 
1 1 1 -34 5  19 o 59.64068 22.90567 603.6719       327.7401 603.6719       327.7401 0.000000       0.000000 59.64068 22.90567 ?        ?        0.000000       22.90567 
1 1 1 -34 5  20 o 51.66523 22.48204 469.0562       370.7993 469.0562       370.7993 0.000000       0.000000 51.66523 22.48204 ?        ?        0.000000       22.48204 
1 1 1 -34 5  21 o 45.41659 20.42519 284.1357       331.6363 284.1357       331.6363 0.000000       0.000000 45.41659 20.42519 ?        ?        0.000000       20.42519 
1 1 1 -34 5  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 6  12 o 33.91556 14.42522 66.01077       146.1605 66.01077       146.1605 0.000000       0.000000 33.91556 14.42522 ?        ?        0.000000       14.42522 
1 1 1 -34 6  13 f 40.58784 15.59788 167.2010       152.0343 167.2010       152.0343 0.000000       0.000000 40.58784 15.59788 ?        ?        0.000000       15.59788 
1 1 1 -34 6  14 o 50.65928 17.90858 314.0291       193.3820 314.0291       193.3820 0.000000       0.000000 50.65928 17.90858 ?        ?        0.000000       17.90858 
1 1 1 -34 6  15 o 33.24653 14.49483 49.23200       154.7684 49.23200       154.7684 0.000000       0.000000 33.24653 14.49483 ?        ?        0.000000       14.49483 
1 1 1 -34 6  16 o 54.71909 19.52927 404.0468       230.4931 404.0468       230.4931 0.000000       0.000000 54.71909 19.52927 ?        ?        0.000000       19.52927 
1 1 1 -34 6  17 o 35.25244 16.70701 -66.11004      269.0834 -66.11004      269.0834 0.000000       0.000000 35.25244 16.70701 ?        ?        0.000000       16.70701 
1 1 1 -34 6  18 o 34.26415 16.43343 -113.7644      276.9536 -113.7644      276.9536 0.000000       0.000000 34.26415 16.43343 ?        ?        0.000000       16.43343 
1 1 1 -34 6  19 o 42.94242 18.42039 210.4169       242.0170 210.4169       242.0170 0.000000       0.000000 42.94242 18.42039 ?        ?        0.000000       18.42039 
1 1 1 -33 0  3  o 26.41504 17.03615 35.51116       178.2666 35.51116       178.2666 35.51116       178.2666 26.41504 17.03615 26.41504 17.03615 -0.000000      0.000000 
1 1 1 -33 0  4  o 29.61316 17.49300 110.6669       151.8769 110.6669       151.8769 110.6669       151.8769 29.61316 17.49300 29.61316 17.49300 0.000000       0.000000 
1 1 1 -33 0  5  o 23.09220 15.20055 -3.669548      152.5655 -3.669548      152.5655 -3.669548      152.5655 23.09220 15.20055 23.09220 15.20055 0.000000       0.000000 
1 1 1 -33 0  6  o 29.01428 17.82838 88.42254       170.8726 88.42254       170.8726 88.42254       170.8726 29.01428 17.82838 29.01428 17.82838 0.000000       0.000000 
1 1 1 -33 0  7  o 30.18083 18.60954 96.50835       187.6149 96.50835       187.6149 96.50835       187.6149 30.18083 18.60954 30.18083 18.60954 0.000000       0.000000 
1 1 1 -33 0  8  o 30.29089 19.61112 51.92600       239.3332 51.92600       239.3332 51.92600       239.3332 30.29089 19.61112 30.29089 19.61112 0.000000       0.000000 
1 1 1 -33 0  9  o 57.31860 25.25110 478.6297       259.2185 478.6297       259.2185 478.6297       259.2185 57.31860 25.25110 57.31860 25.25110 0.000000       0.000000 
1 1 1 -33 0  10 o 18.29017 13.18636 -330.8463      207.3317 -330.8463      207.3317 -330.8463      207.3317 18.29017 13.18636 18.29017 13.18636 -0.000000      0.000000 
1 1 1 -33 0  11 o 34.60318 21.86424 124.5425       276.0047 124.5425       276.0047 124.5425       276.0047 34.60318 21.86424 34.60318 21.86424 -0.000000      0.000000 
1 1 1 -33 0  12 o 40.44250 25.31892 222.3280       360.7471 222.3280       360.7471 222.3280       360.7471 40.44250 25.31892 40.44250 25.31892 -0.000000      0.000000 
1 1 1 -33 0  13 o 33.64486 22.64353 -4.493679      372.2295 -4.493679      372.2295 -4.493679      372.2295 33.64486 22.64353 33.64486 22.64353 0.000000       0.000000 
1 1 1 -33 0  14 o 24.12827 17.17212 -326.3283      307.6126 -326.3283      307.6126 -326.3283      307.6126 24.12827 17.17212 24.12827 17.17212 0.000000       0.000000 
1 1 1 -33 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  3  o 41.38668 13.29300 169.8830       106.5429 190.7650       145.3166 145.6099       156.6721 43.65388 15.51436 40.56117 15.76557 3.092705       22.11896 
1 1 1 -33 1  4  o 34.67107 13.13820 99.53529       106.9226 90.45194       145.5986 110.1680       157.5277 36.36726 14.83894 38.31491 15.50841 -1.947655      21.46404 
1 1 1 -33 1  5  o 76.10215 10.63588 546.2386       134.4435 397.7002       165.4853 834.6104       230.5771 61.37369 15.72019 89.94929 15.57531 -28.57560      22.12950 
1 1 1 -33 1  6  o 33.58364 14.34256 41.36011       145.5656 -81.85741      185.2110 240.4557       235.4298 31.46966 14.56696 48.98617 19.24437 -17.51651      24.13591 
1 1 1 -33 1  7  o 58.87922 13.07094 344.3545       127.9956 299.4718       163.4978 415.4078       205.7145 53.10243 16.38922 61.03871 18.29276 -7.936275      24.56077 
1 1 1 -33 1  8  o 48.13226 15.31906 238.6508       141.7423 360.5652       190.3468 86.90285       212.3633 57.29456 17.68390 40.32047 17.27424 16.97410       24.72083 
1 1 1 -33 1  9  o 29.49489 13.34959 -36.71894      144.3158 -150.0302      190.5764 115.6107       220.9657 29.72024 14.07792 42.08426 17.81052 -12.36402      22.70248 
1 1 1 -33 1  10 o 47.15149 17.48044 224.3400       187.1161 337.6460       247.1209 72.08813       286.4603 54.65164 20.12084 43.31512 19.26621 11.33652       27.85741 
1 1 1 -33 1  11 o 40.34115 16.58128 117.7106       183.4675 76.99846       211.3953 241.9785       369.3284 39.76077 17.13785 51.69803 22.46675 -11.93726      28.25704 
1 1 1 -33 1  12 o 32.90777 15.27834 -88.15616      205.9884 -68.80821      244.9754 -134.8500      380.5701 36.32341 16.79238 41.92645 19.86967 -5.603039      26.01514 
1 1 1 -33 1  13 o 60.43739 23.68675 472.9735       355.9169 472.9735       355.9169 0.000000       0.000000 60.43739 23.68675 ?        ?        0.000000       23.68675 
1 1 1 -33 1  14 o 33.46581 16.26843 -316.9186      294.8009 -316.9186      294.8009 0.000000       0.000000 33.46581 16.26843 ?        ?        0.000000       16.26843 
1 1 1 -33 1  15 o 39.52753 19.01208 -228.2051      376.7258 -228.2051      376.7258 0.000000       0.000000 39.52753 19.01208 ?        ?        0.000000       19.01208 
1 1 1 -33 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  27 o 36.13618 17.83703 -112.5586      398.3073 0.000000       0.000000 -112.5586      398.3073 ?        ?        36.13618 17.83703 0.000000       17.83703 
1 1 1 -33 2  3  o 38.30998 13.26128 139.8014       105.7088 78.93178       140.1802 220.0475       160.9528 35.20167 14.48421 46.11197 16.33415 -10.91030      21.83110 
1 1 1 -33 2  4  o 45.80357 13.75530 213.6545       116.2294 141.2359       145.2716 342.4734       193.7517 39.78998 15.25749 55.18920 17.94494 -15.39922      23.55444 
1 1 1 -33 2  5  o 33.44778 13.36226 77.36956       115.2905 -32.02762      142.3395 286.0328       196.5827 29.40708 13.28855 51.20529 18.06105 -21.79821      22.42292 
1 1 1 -33 2  6  o 42.47047 14.19279 178.1436       120.9100 128.6723       149.6060 271.3109       205.3071 39.31252 15.37092 50.37981 18.37117 -11.06729      23.95339 
1 1 1 -33 2  7  o 97.54540 9.536082 875.8811       156.8152 758.8964       208.6363 1027.785       237.7440 86.75768 14.60106 101.6928 14.06714 -14.93516      20.27499 
1 1 1 -33 2  8  o 27.94844 12.71851 -45.31878      133.2060 -116.7722      149.1256 236.7659       296.2992 26.77958 12.61432 49.98248 20.85463 -23.20290      24.37287 
1 1 1 -33 2  9  o 28.63844 13.35266 -95.32737      160.0251 -203.5863      179.3644 327.0499       354.2866 27.13803 13.06942 54.45100 22.76886 -27.31297      26.25320 
1 1 1 -33 2  10 o 62.41851 16.35712 416.4516       176.4567 440.0611       199.4611 331.4435       378.4815 63.06608 17.76346 54.80688 23.25863 8.259193       29.26610 
1 1 1 -33 2  11 o 53.88764 16.76880 313.3335       170.7614 362.1555       201.6994 189.7896       320.8542 56.86069 18.29280 48.57036 21.02381 8.290329       27.86803 
1 1 1 -33 2  12 o 49.45014 18.48315 258.2044       210.0422 258.2044       210.0422 0.000000       0.000000 49.45014 18.48315 ?        ?        0.000000       18.48315 
1 1 1 -33 2  13 o 44.07423 19.08285 125.3389       264.4893 125.3389       264.4893 0.000000       0.000000 44.07423 19.08285 ?        ?        0.000000       19.08285 
1 1 1 -33 2  14 o 70.68424 21.65073 624.1507       285.9427 624.1507       285.9427 0.000000       0.000000 70.68424 21.65073 ?        ?        0.000000       21.65073 
1 1 1 -33 2  15 o 37.67220 18.19658 -260.1792      353.9315 -260.1792      353.9315 0.000000       0.000000 37.67220 18.19658 ?        ?        0.000000       18.19658 
1 1 1 -33 2  16 o 40.57486 18.74337 -15.81416      304.3389 -15.81416      304.3389 0.000000       0.000000 40.57486 18.74337 ?        ?        0.000000       18.74337 
1 1 1 -33 2  17 o 43.01338 20.25423 -36.32706      383.8651 -36.32706      383.8651 0.000000       0.000000 43.01338 20.25423 ?        ?        0.000000       20.25423 
1 1 1 -33 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  26 o 47.55818 21.90696 456.8869       411.4572 0.000000       0.000000 456.8869       411.4572 ?        ?        47.55818 21.90696 0.000000       21.90696 
1 1 1 -33 2  27 o 36.42374 17.87646 -59.95463      381.6465 0.000000       0.000000 -59.95463      381.6465 ?        ?        36.42374 17.87646 0.000000       17.87646 
1 1 1 -33 3  4  o 67.46943 10.99202 436.2032       122.2838 493.2985       150.7413 326.3180       209.1229 70.37259 13.02339 53.51454 18.64496 16.85805       22.74299 
1 1 1 -33 3  5  o 82.37811 10.45904 639.5697       143.8158 695.0020       187.8307 561.0279       223.5814 83.31743 13.67634 70.36030 18.39960 12.95713       22.92570 
1 1 1 -33 3  6  o 74.28621 10.55588 521.1633       130.1407 471.5445       158.3866 624.2804       228.3286 68.17048 14.07211 74.99215 18.04781 -6.821671      22.88554 
1 1 1 -33 3  7  o 60.50139 13.13842 365.2653       131.8525 270.2220       152.8887 641.1192       260.4680 50.60656 15.88656 74.01518 20.09226 -23.40863      25.61409 
1 1 1 -33 3  8  o 55.45776 15.97126 327.0481       159.4672 233.6140       187.8383 568.1832       301.7601 47.66370 17.54308 66.89774 22.42133 -19.23405      28.46885 
1 1 1 -33 3  9  f 23.33423 11.20533 -152.9995      129.6600 -150.1808      142.7542 -166.2845      309.9141 24.92157 11.91125 37.58611 17.84682 -12.66454      21.45663 
1 1 1 -33 3  10 o 37.04748 15.22483 91.42823       154.6444 63.12123       168.1845 246.2982       393.3894 36.29259 15.45596 51.86082 22.84525 -15.56823      27.58246 
1 1 1 -33 3  11 o 72.45779 16.56514 562.1265       200.5008 562.1265       200.5008 0.000000       0.000000 72.45779 16.56514 ?        ?        0.000000       16.56514 
1 1 1 -33 3  12 o 28.38675 13.58023 -178.0354      186.4871 -178.0354      186.4871 0.000000       0.000000 28.38675 13.58023 ?        ?        0.000000       13.58023 
1 1 1 -33 3  13 o 41.31989 18.09349 84.23012       243.5119 84.23012       243.5119 0.000000       0.000000 41.31989 18.09349 ?        ?        0.000000       18.09349 
1 1 1 -33 3  14 o 47.25968 18.40363 229.0399       213.7994 229.0399       213.7994 0.000000       0.000000 47.25968 18.40363 ?        ?        0.000000       18.40363 
1 1 1 -33 3  15 o 54.93439 21.54985 370.1686       294.8156 370.1686       294.8156 0.000000       0.000000 54.93439 21.54985 ?        ?        0.000000       21.54985 
1 1 1 -33 3  16 o 59.91754 21.76737 468.5513       287.8434 468.5513       287.8434 0.000000       0.000000 59.91754 21.76737 ?        ?        0.000000       21.76737 
1 1 1 -33 3  17 o 44.68978 20.59093 74.12389       363.8207 74.12389       363.8207 0.000000       0.000000 44.68978 20.59093 ?        ?        0.000000       20.59093 
1 1 1 -33 3  18 o 38.00919 17.96824 -92.59927      307.5470 -92.59927      307.5470 0.000000       0.000000 38.00919 17.96824 ?        ?        0.000000       17.96824 
1 1 1 -33 3  19 o 36.31831 17.43275 -167.3876      313.0652 -167.3876      313.0652 0.000000       0.000000 36.31831 17.43275 ?        ?        0.000000       17.43275 
1 1 1 -33 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 3  25 o 50.96696 22.90759 545.8575       416.4127 0.000000       0.000000 545.8575       416.4127 ?        ?        50.96696 22.90759 0.000000       22.90759 
1 1 1 -33 3  26 o 29.47221 14.93735 -693.8510      381.0786 0.000000       0.000000 -693.8510      381.0786 ?        ?        29.47221 14.93735 0.000000       14.93735 
1 1 1 -33 4  4  o 27.36180 12.02815 -0.9933321     108.5434 -140.3627      126.8295 380.5083       209.8383 23.30491 11.16230 57.24164 18.67811 -33.93673      21.75933 
1 1 1 -33 4  5  o 30.56331 12.81997 42.61071       112.8489 -50.67414      131.7892 298.9974       218.4851 27.33011 12.51833 51.41759 18.92084 -24.08748      22.68715 
1 1 1 -33 4  6  o 75.72849 10.69919 544.6611       134.5074 553.3260       155.1588 518.4549       269.8351 74.97685 12.56289 64.33165 21.18988 10.64520       24.63407 
1 1 1 -33 4  7  o 24.51051 11.49636 -91.84402      121.5906 -92.63492      132.8665 -87.76871      301.6019 25.77736 12.06725 38.77552 18.16131 -12.99815      21.80486 
1 1 1 -33 4  8  o 41.91692 15.77051 165.2715       153.4034 195.1846       174.6520 64.28741       320.9001 44.59288 16.81697 44.06175 19.92786 0.5311356      26.07547 
1 1 1 -33 4  9  o 62.80132 13.55475 397.6000       141.1043 324.4640       155.9079 728.7853       331.7706 55.19226 15.76066 74.34135 23.41301 -19.14909      28.22353 
1 1 1 -33 4  10 o 73.11666 13.83307 538.7670       166.3915 538.7670       166.3915 0.000000       0.000000 73.11666 13.83307 ?        ?        0.000000       13.83307 
1 1 1 -33 4  11 o 30.36325 13.63785 -19.62055      147.3147 -19.62055      147.3147 0.000000       0.000000 30.36325 13.63785 ?        ?        0.000000       13.63785 
1 1 1 -33 4  12 o 110.4547 11.80337 1174.038       219.1873 1174.038       219.1873 0.000000       0.000000 110.4547 11.80337 ?        ?        0.000000       11.80337 
1 1 1 -33 4  13 o 71.32269 16.79133 555.1292       201.1204 555.1292       201.1204 0.000000       0.000000 71.32269 16.79133 ?        ?        0.000000       16.79133 
1 1 1 -33 4  14 o 40.49885 17.78315 80.83608       236.6733 80.83608       236.6733 0.000000       0.000000 40.49885 17.78315 ?        ?        0.000000       17.78315 
1 1 1 -33 4  15 o 47.77957 18.21198 246.7650       206.2112 246.7650       206.2112 0.000000       0.000000 47.77957 18.21198 ?        ?        0.000000       18.21198 
1 1 1 -33 4  16 o 43.63767 18.91695 144.7353       260.5477 144.7353       260.5477 0.000000       0.000000 43.63767 18.91695 ?        ?        0.000000       18.91695 
1 1 1 -33 4  17 o 48.75333 19.68150 268.0913       252.9892 268.0913       252.9892 0.000000       0.000000 48.75333 19.68150 ?        ?        0.000000       19.68150 
1 1 1 -33 4  18 o 51.62273 22.21295 337.4303       353.9189 337.4303       353.9189 0.000000       0.000000 51.62273 22.21295 ?        ?        0.000000       22.21295 
1 1 1 -33 4  19 o 35.69276 17.51670 -331.5559      366.2724 -331.5559      366.2724 0.000000       0.000000 35.69276 17.51670 ?        ?        0.000000       17.51670 
1 1 1 -33 4  20 o 50.24228 21.65466 329.7304       337.4782 329.7304       337.4782 0.000000       0.000000 50.24228 21.65466 ?        ?        0.000000       21.65466 
1 1 1 -33 4  21 o 51.55733 22.11804 385.7029       348.9960 385.7029       348.9960 0.000000       0.000000 51.55733 22.11804 ?        ?        0.000000       22.11804 
1 1 1 -33 4  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 4  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 4  24 o 65.36604 23.87180 796.3246       346.8447 0.000000       0.000000 796.3246       346.8447 ?        ?        65.36604 23.87180 0.000000       23.87180 
1 1 1 -33 4  25 o 46.11630 20.44434 349.8735       319.9901 0.000000       0.000000 349.8735       319.9901 ?        ?        46.11630 20.44434 0.000000       20.44434 
1 1 1 -33 4  26 o 49.16706 20.94684 452.9527       309.1240 0.000000       0.000000 452.9527       309.1240 ?        ?        49.16706 20.94684 0.000000       20.94684 
1 1 1 -33 5  5  o 51.77304 13.57979 275.9488       121.5495 285.4483       135.9079 237.9827       271.7007 52.01353 14.66735 48.33067 20.05125 3.682865       24.84318 
1 1 1 -33 5  6  o 28.37136 12.94911 -43.15339      139.3748 -116.5492      156.4140 239.7293       307.0742 27.23329 12.85569 48.93459 20.86325 -21.70130      24.50600 
1 1 1 -33 5  7  o 48.63138 14.70437 248.7587       132.4897 232.3917       140.4131 381.6245       400.0638 46.93657 15.27720 55.04176 23.64884 -8.105198      28.15422 
1 1 1 -33 5  8  o 59.32113 15.34059 374.8298       156.5580 377.6721       176.8986 364.5590       336.2772 58.38327 16.82380 54.53281 22.43543 3.850468       28.04262 
1 1 1 -33 5  9  o 40.51725 15.19411 154.1359       142.1680 154.1359       142.1680 0.000000       0.000000 40.51725 15.19411 ?        ?        0.000000       15.19411 
1 1 1 -33 5  10 o 37.63490 15.82414 87.57697       172.6066 87.57697       172.6066 0.000000       0.000000 37.63490 15.82414 ?        ?        0.000000       15.82414 
1 1 1 -33 5  11 o 107.9541 10.21661 1092.208       186.1022 1092.208       186.1022 0.000000       0.000000 107.9541 10.21661 ?        ?        0.000000       10.21661 
1 1 1 -33 5  12 o 62.66129 17.35988 440.7530       192.1556 440.7530       192.1556 0.000000       0.000000 62.66129 17.35988 ?        ?        0.000000       17.35988 
1 1 1 -33 5  13 o 61.25610 15.65584 404.1894       164.3851 404.1894       164.3851 0.000000       0.000000 61.25610 15.65584 ?        ?        0.000000       15.65584 
1 1 1 -33 5  14 o 67.68443 16.90630 509.6133       194.8320 509.6133       194.8320 0.000000       0.000000 67.68443 16.90630 ?        ?        0.000000       16.90630 
1 1 1 -33 5  15 o 36.56334 15.96225 56.76357       188.2535 56.76357       188.2535 0.000000       0.000000 36.56334 15.96225 ?        ?        0.000000       15.96225 
1 1 1 -33 5  16 o 49.31550 18.23017 279.1384       203.2209 279.1384       203.2209 0.000000       0.000000 49.31550 18.23017 ?        ?        0.000000       18.23017 
1 1 1 -33 5  17 o 78.63605 19.67733 755.2275       263.5945 755.2275       263.5945 0.000000       0.000000 78.63605 19.67733 ?        ?        0.000000       19.67733 
1 1 1 -33 5  18 o 90.74073 17.84255 946.5933       266.6245 946.5933       266.6245 0.000000       0.000000 90.74073 17.84255 ?        ?        0.000000       17.84255 
1 1 1 -33 5  19 o 55.12876 21.18645 422.2129       280.4999 422.2129       280.4999 0.000000       0.000000 55.12876 21.18645 ?        ?        0.000000       21.18645 
1 1 1 -33 5  20 o 108.6308 22.68199 1603.752       407.1780 1603.752       407.1780 0.000000       0.000000 108.6308 22.68199 ?        ?        0.000000       22.68199 
1 1 1 -33 5  21 o 114.8228 22.93840 1840.865       434.0355 1840.865       434.0355 0.000000       0.000000 114.8228 22.93840 ?        ?        0.000000       22.93840 
1 1 1 -33 5  22 o 46.68092 19.25829 287.9272       248.6292 261.1560       345.2348 316.7730       358.3619 45.70591 20.67072 47.37175 21.27451 -1.665833      29.66283 
1 1 1 -33 5  23 o 47.51754 21.90166 370.9079       412.1231 0.000000       0.000000 370.9079       412.1231 ?        ?        47.51754 21.90166 0.000000       21.90166 
1 1 1 -33 5  24 o 54.02480 22.14041 551.4456       325.9141 0.000000       0.000000 551.4456       325.9141 ?        ?        54.02480 22.14041 0.000000       22.14041 
1 1 1 -33 5  25 o 31.98834 15.73109 -209.7855      300.2627 0.000000       0.000000 -209.7855      300.2627 ?        ?        31.98834 15.73109 0.000000       15.73109 
1 1 1 -33 6  7  o 34.27793 13.68037 88.89455       120.7265 95.44218       129.1092 43.32706       340.5982 35.26203 14.12148 43.09328 19.87929 -7.831253      24.38447 
1 1 1 -33 6  8  o 57.73546 16.41810 371.1687       169.5512 371.1687       169.5512 0.000000       0.000000 57.73546 16.41810 ?        ?        0.000000       16.41810 
1 1 1 -33 6  9  o 62.60414 14.11061 407.3908       147.2425 407.3908       147.2425 0.000000       0.000000 62.60414 14.11061 ?        ?        0.000000       14.11061 
1 1 1 -33 6  10 o 49.19897 15.42735 260.9671       144.2230 260.9671       144.2230 0.000000       0.000000 49.19897 15.42735 ?        ?        0.000000       15.42735 
1 1 1 -33 6  11 o 22.42843 10.89752 -184.3085      131.8433 -184.3085      131.8433 0.000000       0.000000 22.42843 10.89752 ?        ?        0.000000       10.89752 
1 1 1 -33 6  12 f 32.98289 14.11530 46.61032       141.5186 46.61032       141.5186 0.000000       0.000000 32.98289 14.11530 ?        ?        0.000000       14.11530 
1 1 1 -33 6  13 o 71.44868 16.21069 557.5710       193.2487 557.5710       193.2487 0.000000       0.000000 71.44868 16.21069 ?        ?        0.000000       16.21069 
1 1 1 -33 6  14 o 67.86994 14.59720 485.2252       164.1564 485.2252       164.1564 0.000000       0.000000 67.86994 14.59720 ?        ?        0.000000       14.59720 
1 1 1 -33 6  15 o 79.32839 13.36037 641.1121       174.5561 641.1121       174.5561 0.000000       0.000000 79.32839 13.36037 ?        ?        0.000000       13.36037 
1 1 1 -33 6  16 o 47.40848 19.66571 248.7704       261.2969 248.7704       261.2969 0.000000       0.000000 47.40848 19.66571 ?        ?        0.000000       19.66571 
1 1 1 -33 6  17 o 47.22587 18.62357 257.0769       221.2713 257.0769       221.2713 0.000000       0.000000 47.22587 18.62357 ?        ?        0.000000       18.62357 
1 1 1 -33 6  18 o 36.46377 16.56845 24.84550       224.9684 24.84550       224.9684 0.000000       0.000000 36.46377 16.56845 ?        ?        0.000000       16.56845 
1 1 1 -33 6  19 o 50.76445 20.90231 356.4272       292.1873 356.4272       292.1873 0.000000       0.000000 50.76445 20.90231 ?        ?        0.000000       20.90231 
1 1 1 -33 6  20 o 109.8406 18.48997 1466.734       334.4983 1466.734       334.4983 0.000000       0.000000 109.8406 18.48997 ?        ?        0.000000       18.48997 
1 1 1 -33 6  21 f 43.08305 20.59811 110.8519       427.6110 0.000000       0.000000 110.8519       427.6110 ?        ?        43.08305 20.59811 0.000000       20.59811 
1 1 1 -33 6  22 o 41.91418 17.92033 203.0915       227.7062 308.5283       315.2310 88.04807       329.2787 46.15478 20.38480 39.97475 18.80370 6.180031       27.73300 
1 1 1 -33 6  23 o 42.12711 17.96242 219.9594       227.6545 111.4941       332.4054 315.7784       312.4268 39.98630 18.83459 45.63379 20.21728 -5.647488      27.63114 
1 1 1 -33 7  9  o 41.20604 14.83720 172.6840       133.3215 172.6840       133.3215 0.000000       0.000000 41.20604 14.83720 ?        ?        0.000000       14.83720 
1 1 1 -33 7  10 o 35.07837 14.18659 94.31122       131.7009 94.31122       131.7009 0.000000       0.000000 35.07837 14.18659 ?        ?        0.000000       14.18659 
1 1 1 -33 7  11 o 55.24660 15.06061 332.9230       145.9843 332.9230       145.9843 0.000000       0.000000 55.24660 15.06061 ?        ?        0.000000       15.06061 
1 1 1 -33 7  12 o 50.00240 15.42302 275.8677       144.8137 275.8677       144.8137 0.000000       0.000000 50.00240 15.42302 ?        ?        0.000000       15.42302 
1 1 1 -33 7  13 o 63.29502 14.50750 427.7291       153.4526 427.7291       153.4526 0.000000       0.000000 63.29502 14.50750 ?        ?        0.000000       14.50750 
1 1 1 -33 7  14 o 35.75149 14.68940 97.25391       143.9238 97.25391       143.9238 0.000000       0.000000 35.75149 14.68940 ?        ?        0.000000       14.68940 
1 1 1 -33 7  15 o 91.80690 18.46324 995.6292       279.4258 995.6292       279.4258 0.000000       0.000000 91.80690 18.46324 ?        ?        0.000000       18.46324 
1 1 1 -33 7  16 f 68.70381 18.87458 587.5651       228.2489 587.5651       228.2489 0.000000       0.000000 68.70381 18.87458 ?        ?        0.000000       18.87458 
1 1 1 -33 7  17 f 87.66204 16.79011 879.1909       242.1911 879.1909       242.1911 0.000000       0.000000 87.66204 16.79011 ?        ?        0.000000       16.79011 
1 1 1 -33 7  18 o 78.95627 20.42061 827.8812       277.3933 827.8812       277.3933 0.000000       0.000000 78.95627 20.42061 ?        ?        0.000000       20.42061 
1 1 1 -33 7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 7  20 o 52.74236 19.67401 401.7469       237.7449 660.3235       287.6380 -155.8174      422.3758 64.81082 21.88956 38.32087 18.80728 26.48995       28.85943 
1 1 1 -33 7  21 o 100.7306 12.50817 1063.877       210.5268 1335.053       265.5484 605.0408       345.4195 109.5106 14.56088 56.68204 22.95706 52.82852       27.18539 
1 1 1 -33 7  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 8  12 o 51.03909 15.02082 288.8262       139.6945 288.8262       139.6945 0.000000       0.000000 51.03909 15.02082 ?        ?        0.000000       15.02082 
1 1 1 -33 8  13 o 41.47911 16.50039 175.3239       175.1025 175.3239       175.1025 0.000000       0.000000 41.47911 16.50039 ?        ?        0.000000       16.50039 
1 1 1 -33 8  14 o 33.40169 15.26124 -5.952761      194.2394 -5.952761      194.2394 0.000000       0.000000 33.40169 15.26124 ?        ?        0.000000       15.26124 
1 1 1 -33 8  15 o 52.65772 18.61324 357.0114       208.8948 357.0114       208.8948 0.000000       0.000000 52.65772 18.61324 ?        ?        0.000000       18.61324 
1 1 1 -33 8  16 o 100.1244 14.25391 1075.109       236.8307 1075.109       236.8307 0.000000       0.000000 100.1244 14.25391 ?        ?        0.000000       14.25391 
1 1 1 -33 8  17 o 70.37404 18.70086 632.1165       228.5728 632.1165       228.5728 0.000000       0.000000 70.37404 18.70086 ?        ?        0.000000       18.70086 
1 1 1 -33 8  18 o 33.80735 16.71912 -331.1845      355.7212 0.000000       0.000000 -331.1845      355.7212 ?        ?        33.80735 16.71912 0.000000       16.71912 
1 1 1 -33 8  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  1  o 16.71879 11.75893 -129.1444      130.6023 -129.1444      130.6023 -129.1444      130.6023 16.71879 11.75893 16.71879 11.75893 -0.000000      0.000000 
1 1 1 -32 0  2  o 56.17821 17.98870 365.8085       152.1663 365.8085       152.1663 365.8085       152.1663 56.17821 17.98870 56.17821 17.98870 0.000000       0.000000 
1 1 1 -32 0  3  o 25.34895 15.91351 48.04786       143.5817 48.04786       143.5817 48.04786       143.5817 25.34895 15.91351 25.34895 15.91351 0.000000       0.000000 
1 1 1 -32 0  4  o 27.52739 16.77781 78.37602       148.5816 78.37602       148.5816 78.37602       148.5816 27.52739 16.77781 27.52739 16.77781 0.000000       0.000000 
1 1 1 -32 0  5  o 12.87798 9.454330 -363.0961      138.9894 -363.0961      138.9894 -363.0961      138.9894 12.87798 9.454330 12.87798 9.454330 0.000000       0.000000 
1 1 1 -32 0  6  o 34.49376 20.77505 147.4533       222.2275 147.4533       222.2275 147.4533       222.2275 34.49376 20.77505 34.49376 20.77505 -0.000000      0.000000 
1 1 1 -32 0  7  o 24.76781 16.92683 -95.03654      224.7664 -95.03654      224.7664 -95.03654      224.7664 24.76781 16.92683 24.76781 16.92683 -0.000000      0.000000 
1 1 1 -32 0  8  o 57.65843 24.71059 462.0441       248.8035 462.0441       248.8035 462.0441       248.8035 57.65843 24.71059 57.65843 24.71059 -0.000000      0.000000 
1 1 1 -32 0  9  o 48.80767 22.75433 338.3601       211.0888 338.3601       211.0888 338.3601       211.0888 48.80767 22.75433 48.80767 22.75433 -0.000000      0.000000 
1 1 1 -32 0  10 o 28.70899 18.98312 -6.321368      242.3380 -6.321368      242.3380 -6.321368      242.3380 28.70899 18.98312 28.70899 18.98312 0.000000       0.000000 
1 1 1 -32 0  11 o 75.75629 25.44120 709.3375       293.9024 709.3375       293.9024 709.3375       293.9024 75.75629 25.44120 75.75629 25.44120 0.000000       0.000000 
1 1 1 -32 0  12 o 65.01264 30.11905 650.6329       369.6043 650.6329       369.6043 650.6329       369.6043 65.01264 30.11905 65.01264 30.11905 -0.000000      0.000000 
1 1 1 -32 0  13 o 28.56035 19.99046 -255.8979      364.0663 -255.8979      364.0663 -255.8979      364.0663 28.56035 19.99046 28.56035 19.99046 -0.000000      0.000000 
1 1 1 -32 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  27 o 79.78355 28.20280 976.1313       349.3146 976.1313       349.3146 976.1313       349.3146 79.78355 28.20280 79.78355 28.20280 0.000000       0.000000 
1 1 1 -32 0  28 o 27.83994 19.63437 -115.1632      371.9195 -115.1632      371.9195 -115.1632      371.9195 27.83994 19.63437 27.83994 19.63437 0.000000       0.000000 
1 1 1 -32 0  29 o 31.64153 20.96007 151.6690       297.6005 151.6690       297.6005 151.6690       297.6005 31.64153 20.96007 31.64153 20.96007 -0.000000      0.000000 
1 1 1 -32 1  1  o 23.95800 11.02951 -57.06337      104.0928 76.05080       157.2885 -160.7961      138.8490 36.40726 15.19284 24.18182 11.60789 12.22544       19.11977 
1 1 1 -32 1  2  o 24.53904 11.25462 -54.14220      107.0041 5.298536       162.4558 -99.69090      142.2103 33.20099 14.65025 26.73931 12.50700 6.461683       19.26278 
1 1 1 -32 1  3  o 74.13980 9.178385 503.3420       113.7203 455.7501       155.5164 558.0359       166.7166 67.68042 13.92052 75.42233 13.43687 -7.741913      19.34762 
1 1 1 -32 1  4  o 65.31046 10.41212 399.1959       112.2250 396.2250       153.9382 402.5660       163.9552 62.54116 14.66768 62.54126 15.44363 -0.9536743E-04 21.29898 
1 1 1 -32 1  5  o 55.13750 12.87679 298.8737       119.0472 253.2081       153.1611 368.5674       189.2131 49.73029 15.93439 58.59980 17.53966 -8.869514      23.69693 
1 1 1 -32 1  6  o 109.9482 7.707892 1078.474       143.8040 955.0294       187.9527 1252.766       223.3320 101.1825 11.05781 115.6543 11.45884 -14.47181      15.92420 
1 1 1 -32 1  7  o 52.65438 14.74228 280.1572       137.8121 378.2651       185.9889 160.7135       205.2184 59.74912 17.26029 44.47017 17.80560 15.27895       24.79832 
1 1 1 -32 1  8  o 39.79502 15.03728 133.0865       139.8171 168.0061       185.9016 87.60933       212.1509 44.25307 17.18095 41.10366 17.42669 3.149410       24.47191 
1 1 1 -32 1  9  o 151.6665 8.456515 2058.792       218.1481 1978.170       295.8966 2154.791       322.8827 145.3044 12.03332 151.0060 12.63747 -5.701584      17.45011 
1 1 1 -32 1  10 o 63.24176 15.79739 408.1279       170.1055 378.5639       208.6077 466.7964       293.8671 59.43471 18.54057 63.63856 22.10619 -4.203854      28.85197 
1 1 1 -32 1  11 o 89.30963 13.30682 766.7754       196.7466 610.4127       230.5982 1185.173       377.2108 76.00754 18.03730 102.1117 22.26051 -26.10414      28.65091 
1 1 1 -32 1  12 o 43.15934 18.95784 57.83138       269.1758 57.83138       269.1758 0.000000       0.000000 43.15934 18.95784 ?        ?        0.000000       18.95784 
1 1 1 -32 1  13 o 92.45937 23.36040 1010.686       368.9723 1010.686       368.9723 0.000000       0.000000 92.45937 23.36040 ?        ?        0.000000       23.36040 
1 1 1 -32 1  14 o 42.17880 19.10364 -8.309284      296.1265 -8.309284      296.1265 0.000000       0.000000 42.17880 19.10364 ?        ?        0.000000       19.10364 
1 1 1 -32 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 1  26 o 74.39275 24.21069 943.1617       352.6465 0.000000       0.000000 943.1617       352.6465 ?        ?        74.39275 24.21069 0.000000       24.21069 
1 1 1 -32 1  27 o 29.98344 14.91630 -372.3014      299.7204 0.000000       0.000000 -372.3014      299.7204 ?        ?        29.98344 14.91630 0.000000       14.91630 
1 1 1 -32 1  28 o 36.24126 17.01293 57.90857       267.2405 -277.4874      406.0949 314.1039       354.9231 34.43093 17.16647 43.92405 20.27320 -9.493118      26.56484 
1 1 1 -32 1  29 o 32.05973 15.01998 8.786329       206.5341 495.2491       307.3440 -391.7756      278.8912 49.41257 20.96372 27.67248 13.86126 21.74009       25.13190 
1 1 1 -32 2  1  o 28.89776 12.19996 29.02957       103.2723 37.29222       126.5049 12.52207       178.8085 31.66193 13.44218 34.64104 15.32350 -2.979107      20.38386 
1 1 1 -32 2  2  o 61.65166 11.34495 364.1936       115.0388 346.2043       143.1100 397.0462       193.3964 58.21360 14.46086 60.18653 17.66260 -1.972939      22.82726 
1 1 1 -32 2  3  o 36.75437 13.52905 116.6818       111.7176 86.73434       135.0102 181.7195       198.9616 35.81664 14.40627 45.05953 17.69459 -9.242886      22.81751 
1 1 1 -32 2  4  o 62.13107 13.69608 384.1125       141.4014 473.8754       177.7275 229.2955       233.4079 67.79906 15.66555 48.87094 19.17354 18.92811       24.75953 
1 1 1 -32 2  5  o 50.76538 14.02138 259.2323       125.5682 398.2743       147.5651 -105.6636      239.0534 63.08190 14.05801 35.19275 16.37896 27.88916       21.58467 
1 1 1 -32 2  6  o 89.09355 9.506516 726.6752       142.4003 663.9578       169.1723 879.1403       263.7668 83.34276 12.25236 91.42087 17.53347 -8.078110      21.39025 
1 1 1 -32 2  7  o 42.77550 14.76467 174.8335       130.9899 223.1488       150.5380 24.19570       265.8098 47.22647 15.83625 41.32093 18.45604 5.905533       24.31897 
1 1 1 -32 2  8  o 35.60130 14.77521 66.09938       147.6010 111.0051       164.2720 -122.0663      336.2661 39.50338 15.89032 41.06528 19.21556 -1.561905      24.93472 
1 1 1 -32 2  9  o 49.34855 17.76897 242.6799       191.2141 259.4716       225.7266 200.0138       359.8131 50.98719 19.14054 51.68252 22.31734 -0.6953316     29.40109 
1 1 1 -32 2  10 o 56.30877 16.79738 330.5810       173.7527 383.0927       195.9545 137.4401       375.8065 59.95966 17.82735 50.20973 22.21242 9.749928       28.48168 
1 1 1 -32 2  11 o 76.79330 16.56429 606.6221       210.8364 606.6221       210.8364 0.000000       0.000000 76.79330 16.56429 ?        ?        0.000000       16.56429 
1 1 1 -32 2  12 o 70.69805 20.46254 563.7570       261.1770 563.7570       261.1770 0.000000       0.000000 70.69805 20.46254 ?        ?        0.000000       20.46254 
1 1 1 -32 2  13 o 43.93990 18.61894 115.2416       241.9599 115.2416       241.9599 0.000000       0.000000 43.93990 18.61894 ?        ?        0.000000       18.61894 
1 1 1 -32 2  14 o 106.5229 17.48438 1177.444       307.0116 1177.444       307.0116 0.000000       0.000000 106.5229 17.48438 ?        ?        0.000000       17.48438 
1 1 1 -32 2  15 o 92.74183 23.69287 1045.694       376.5952 1045.694       376.5952 0.000000       0.000000 92.74183 23.69287 ?        ?        0.000000       23.69287 
1 1 1 -32 2  16 o 66.05062 22.80878 537.0944       312.6210 537.0944       312.6210 0.000000       0.000000 66.05062 22.80878 ?        ?        0.000000       22.80878 
1 1 1 -32 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 2  25 o 36.99483 17.82472 -103.1201      334.5600 0.000000       0.000000 -103.1201      334.5600 ?        ?        36.99483 17.82472 0.000000       17.82472 
1 1 1 -32 2  26 o 36.74213 17.56930 -47.77694      311.3599 0.000000       0.000000 -47.77694      311.3599 ?        ?        36.74213 17.56930 0.000000       17.56930 
1 1 1 -32 2  27 o 33.90117 16.41676 -111.1903      292.7160 0.000000       0.000000 -111.1903      292.7160 ?        ?        33.90117 16.41676 0.000000       16.41676 
1 1 1 -32 2  28 o 52.76317 22.47944 613.0779       356.0287 0.000000       0.000000 613.0779       356.0287 ?        ?        52.76317 22.47944 0.000000       22.47944 
1 1 1 -32 2  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 3  1  o 36.91865 13.20844 124.3705       105.4970 176.4291       127.1487 9.346725       188.9988 42.30284 14.54971 35.17987 15.64842 7.122971       21.36743 
1 1 1 -32 3  2  o 43.44630 13.89438 188.1947       116.4968 98.19058       156.7313 299.3081       174.1437 37.70004 15.39077 52.71014 17.00155 -15.01011      22.93313 
1 1 1 -32 3  3  f 70.99836 10.02465 469.5545       118.1588 523.1547       146.4521 369.5987       199.9937 73.71756 12.05027 57.85564 18.17105 15.86192       21.80358 
1 1 1 -32 3  4  o 56.79723 12.30375 314.6173       115.8838 335.6530       141.5464 271.8569       201.8094 57.48440 14.43871 50.91878 18.26303 6.565620       23.28121 
1 1 1 -32 3  5  o 100.3831 8.060934 905.5521       137.0155 961.9652       170.5571 802.8950       230.0774 102.2235 9.894308 88.64696 15.77703 13.57651       18.62289 
1 1 1 -32 3  6  o 67.89672 11.38690 438.3032       127.3505 469.6110       153.2148 368.3319       229.0519 68.98703 13.48900 57.42118 19.53285 11.56585       23.73785 
1 1 1 -32 3  7  o 68.42041 12.18758 450.6393       137.1780 478.7940       156.0748 355.0320       287.6088 69.64069 13.61198 56.36433 21.50241 13.27636       25.44876 
1 1 1 -32 3  8  o 54.89434 14.45188 304.8856       137.3318 303.6647       153.8009 309.6879       305.0350 54.19317 15.70756 54.38036 21.73132 -0.1871872     26.81376 
1 1 1 -32 3  9  o 104.2339 10.08328 998.9565       177.2361 987.0165       210.8006 1027.754       327.3764 101.8295 12.37712 95.81151 20.61999 6.017960       24.04947 
1 1 1 -32 3  10 o 54.43419 17.46911 312.8442       184.0301 312.8442       184.0301 0.000000       0.000000 54.43419 17.46911 ?        ?        0.000000       17.46911 
1 1 1 -32 3  11 o 129.6320 10.67706 1552.670       234.2533 1552.670       234.2533 0.000000       0.000000 129.6320 10.67706 ?        ?        0.000000       10.67706 
1 1 1 -32 3  12 o 103.8457 15.11571 1073.983       260.1865 1073.983       260.1865 0.000000       0.000000 103.8457 15.11571 ?        ?        0.000000       15.11571 
1 1 1 -32 3  13 o 152.7062 10.41632 2145.985       270.0055 2145.985       270.0055 0.000000       0.000000 152.7062 10.41632 ?        ?        0.000000       10.41632 
1 1 1 -32 3  14 o 66.63301 21.02108 518.5253       267.3516 518.5253       267.3516 0.000000       0.000000 66.63301 21.02108 ?        ?        0.000000       21.02108 
1 1 1 -32 3  15 o 111.1025 16.29398 1264.799       299.9522 1264.799       299.9522 0.000000       0.000000 111.1025 16.29398 ?        ?        0.000000       16.29398 
1 1 1 -32 3  16 o 70.36293 22.18471 608.3052       297.8033 608.3052       297.8033 0.000000       0.000000 70.36293 22.18471 ?        ?        0.000000       22.18471 
1 1 1 -32 3  17 o 42.15346 19.78107 -87.95672      360.7166 -87.95672      360.7166 0.000000       0.000000 42.15346 19.78107 ?        ?        0.000000       19.78107 
1 1 1 -32 3  18 o 47.86953 21.59459 130.4193       374.0355 130.4193       374.0355 0.000000       0.000000 47.86953 21.59459 ?        ?        0.000000       21.59459 
1 1 1 -32 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 3  24 o 47.57335 21.09491 291.1293       340.8608 0.000000       0.000000 291.1293       340.8608 ?        ?        47.57335 21.09491 0.000000       21.09491 
1 1 1 -32 3  25 o 58.99540 22.70677 587.9326       322.5285 0.000000       0.000000 587.9326       322.5285 ?        ?        58.99540 22.70677 0.000000       22.70677 
1 1 1 -32 3  26 o 38.64106 18.05855 65.77662       295.4184 0.000000       0.000000 65.77662       295.4184 ?        ?        38.64106 18.05855 0.000000       18.05855 
1 1 1 -32 3  27 o 30.84549 15.19349 -246.3232      283.8819 0.000000       0.000000 -246.3232      283.8819 ?        ?        30.84549 15.19349 0.000000       15.19349 
1 1 1 -32 3  28 o 40.00672 19.03782 173.2104       356.4332 0.000000       0.000000 173.2104       356.4332 ?        ?        40.00672 19.03782 0.000000       19.03782 
1 1 1 -32 4  2  o 40.17611 13.24315 157.6102       105.3888 130.4648       125.5269 222.4458       193.9971 38.24036 14.28955 46.81848 17.70759 -8.578125      22.75412 
1 1 1 -32 4  3  f 46.30458 14.28604 217.8047       124.2405 132.5427       156.7715 361.7707       203.7133 39.91594 15.69660 56.82102 18.39479 -16.90508      24.18164 
1 1 1 -32 4  4  o 89.39451 8.566190 725.4921       129.1664 887.9576       157.3687 390.0636       226.1192 98.32786 9.490059 58.55708 19.40290 39.77078       21.59939 
1 1 1 -32 4  5  o 31.19260 12.87916 48.63836       111.3234 28.18356       128.5690 109.9117       222.5228 31.44712 13.45592 42.10552 17.84931 -10.65840      22.35307 
1 1 1 -32 4  6  o 115.3590 7.998250 1194.782       156.5879 1089.950       181.2337 1503.513       311.0153 108.7908 9.862610 122.1666 15.23970 -13.37586      18.15267 
1 1 1 -32 4  7  o 59.40003 13.75732 353.7101       136.8038 389.8275       146.9297 118.4391       375.0035 62.17736 14.15553 48.49695 21.77253 13.68041       25.96964 
1 1 1 -32 4  8  o 57.72919 14.27546 337.7003       139.9414 387.7656       150.1832 7.733412       385.5566 61.82769 14.47913 45.93937 21.17766 15.88832       25.65421 
1 1 1 -32 4  9  o 45.57435 15.69960 206.5717       148.0687 206.5717       148.0687 0.000000       0.000000 45.57435 15.69960 ?        ?        0.000000       15.69960 
1 1 1 -32 4  10 o 73.68870 13.50220 534.4275       163.6441 534.4275       163.6441 0.000000       0.000000 73.68870 13.50220 ?        ?        0.000000       13.50220 
1 1 1 -32 4  11 o 40.63132 16.91870 105.9746       194.4512 105.9746       194.4512 0.000000       0.000000 40.63132 16.91870 ?        ?        0.000000       16.91870 
1 1 1 -32 4  12 o 86.22910 14.16313 736.7310       201.3095 736.7310       201.3095 0.000000       0.000000 86.22910 14.16313 ?        ?        0.000000       14.16313 
1 1 1 -32 4  13 o 61.57984 17.73868 413.0239       196.6925 413.0239       196.6925 0.000000       0.000000 61.57984 17.73868 ?        ?        0.000000       17.73868 
1 1 1 -32 4  14 o 69.39846 17.44157 519.9841       206.4573 519.9841       206.4573 0.000000       0.000000 69.39846 17.44157 ?        ?        0.000000       17.44157 
1 1 1 -32 4  15 o 60.38774 18.53823 408.8896       209.5045 408.8896       209.5045 0.000000       0.000000 60.38774 18.53823 ?        ?        0.000000       18.53823 
1 1 1 -32 4  16 o 43.60577 17.91957 154.5246       214.2258 154.5246       214.2258 0.000000       0.000000 43.60577 17.91957 ?        ?        0.000000       17.91957 
1 1 1 -32 4  17 o 42.75786 18.90865 85.57832       272.0785 85.57832       272.0785 0.000000       0.000000 42.75786 18.90865 ?        ?        0.000000       18.90865 
1 1 1 -32 4  18 o 44.80400 19.66347 133.1302       289.0427 133.1302       289.0427 0.000000       0.000000 44.80400 19.66347 ?        ?        0.000000       19.66347 
1 1 1 -32 4  19 o 44.33801 20.71852 18.59174       388.6754 18.59174       388.6754 0.000000       0.000000 44.33801 20.71852 ?        ?        0.000000       20.71852 
1 1 1 -32 4  20 o 63.64503 23.49221 594.3424       337.2196 594.3424       337.2196 0.000000       0.000000 63.64503 23.49221 ?        ?        0.000000       23.49221 
1 1 1 -32 4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 4  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 4  23 o 52.77246 23.37386 456.7094       417.3391 0.000000       0.000000 456.7094       417.3391 ?        ?        52.77246 23.37386 0.000000       23.37386 
1 1 1 -32 4  24 o 50.20798 22.35484 392.0029       386.6849 0.000000       0.000000 392.0029       386.6849 ?        ?        50.20798 22.35484 0.000000       22.35484 
1 1 1 -32 4  25 o 42.67682 19.97123 151.1508       363.3583 0.000000       0.000000 151.1508       363.3583 ?        ?        42.67682 19.97123 0.000000       19.97123 
1 1 1 -32 4  26 o 31.38282 15.67030 -415.0743      343.8022 0.000000       0.000000 -415.0743      343.8022 ?        ?        31.38282 15.67030 0.000000       15.67030 
1 1 1 -32 4  27 o 50.48661 22.13456 544.6927       365.4208 0.000000       0.000000 544.6927       365.4208 ?        ?        50.48661 22.13456 0.000000       22.13456 
1 1 1 -32 4  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 5  2  o 33.35671 13.49373 73.41467       119.1835 67.60973       137.0934 91.37971       241.1746 34.27200 14.23289 41.48824 18.09092 -7.216236      23.01861 
1 1 1 -32 5  3  o 30.12982 12.43187 47.06570       103.6253 105.0555       119.6702 -126.7408      207.1779 35.81816 13.81861 31.58633 14.87538 4.231838       20.30346 
1 1 1 -32 5  4  o 68.13774 10.64990 439.8401       119.8623 473.2755       139.1475 343.6722       235.9867 69.76202 12.12012 54.76044 19.73752 15.00158       23.16176 
1 1 1 -32 5  5  o 27.29702 12.09830 -12.02487      111.9882 32.35194       121.2452 -269.7989      292.2175 30.91132 13.14266 34.37736 16.58759 -3.466043      21.16312 
1 1 1 -32 5  6  o 38.73819 15.13525 122.3251       144.9721 105.4394       157.0170 219.8899       377.4274 38.25415 15.48345 51.30597 22.49449 -13.05183      27.30823 
1 1 1 -32 5  7  o 49.64576 14.42966 252.0996       129.6322 246.1270       137.3691 300.6858       391.7977 48.89261 15.01153 54.17869 23.34189 -5.286076      27.75229 
1 1 1 -32 5  8  o 83.83743 13.30122 691.2656       184.0699 691.2656       184.0699 0.000000       0.000000 83.83743 13.30122 ?        ?        0.000000       13.30122 
1 1 1 -32 5  9  o 34.59946 14.26659 69.70490       136.3565 69.70490       136.3565 0.000000       0.000000 34.59946 14.26659 ?        ?        0.000000       14.26659 
1 1 1 -32 5  10 o 100.3410 10.36984 937.8828       175.1226 937.8828       175.1226 0.000000       0.000000 100.3410 10.36984 ?        ?        0.000000       10.36984 
1 1 1 -32 5  11 o 50.59968 15.69197 267.7339       149.6785 267.7339       149.6785 0.000000       0.000000 50.59968 15.69197 ?        ?        0.000000       15.69197 
1 1 1 -32 5  12 f 94.42211 11.13392 842.3486       176.0723 842.3486       176.0723 0.000000       0.000000 94.42211 11.13392 ?        ?        0.000000       11.13392 
1 1 1 -32 5  13 o 25.63569 12.31437 -177.0163      156.8669 -177.0163      156.8669 0.000000       0.000000 25.63569 12.31437 ?        ?        0.000000       12.31437 
1 1 1 -32 5  14 o 92.62492 13.42186 847.4532       206.1106 847.4532       206.1106 0.000000       0.000000 92.62492 13.42186 ?        ?        0.000000       13.42186 
1 1 1 -32 5  15 f 38.39499 16.34596 81.48734       187.9991 81.48734       187.9991 0.000000       0.000000 38.39499 16.34596 ?        ?        0.000000       16.34596 
1 1 1 -32 5  16 o 100.4668 15.85641 1055.875       263.0139 1055.875       263.0139 0.000000       0.000000 100.4668 15.85641 ?        ?        0.000000       15.85641 
1 1 1 -32 5  17 f 47.74956 18.26481 243.2276       207.8662 243.2276       207.8662 0.000000       0.000000 47.74956 18.26481 ?        ?        0.000000       18.26481 
1 1 1 -32 5  18 o 108.6018 19.09904 1356.008       341.2708 1356.008       341.2708 0.000000       0.000000 108.6018 19.09904 ?        ?        0.000000       19.09904 
1 1 1 -32 5  19 o 131.7301 15.17955 1825.514       335.2177 1825.514       335.2177 0.000000       0.000000 131.7301 15.17955 ?        ?        0.000000       15.17955 
1 1 1 -32 5  20 f 101.9396 20.09632 1265.333       337.3979 1265.333       337.3979 0.000000       0.000000 101.9396 20.09632 ?        ?        0.000000       20.09632 
1 1 1 -32 5  21 o 39.20025 18.99845 -166.5466      394.0305 -166.5466      394.0305 0.000000       0.000000 39.20025 18.99845 ?        ?        0.000000       18.99845 
1 1 1 -32 5  22 o 40.22161 18.07934 98.77212       259.4329 431.5114       413.3177 -117.5518      333.2608 52.40428 23.23342 37.36827 17.94988 15.03601       29.35967 
1 1 1 -32 5  23 o 38.57149 18.17176 -3.803697      309.6994 0.000000       0.000000 -3.803697      309.6994 ?        ?        38.57149 18.17176 0.000000       18.17176 
1 1 1 -32 5  24 o 68.33214 22.84923 751.6035       313.3808 0.000000       0.000000 751.6035       313.3808 ?        ?        68.33214 22.84923 0.000000       22.84923 
1 1 1 -32 5  25 o 53.30745 21.30344 478.3677       293.1547 0.000000       0.000000 478.3677       293.1547 ?        ?        53.30745 21.30344 0.000000       21.30344 
1 1 1 -32 5  26 o 45.65332 20.86391 359.5139       363.3039 0.000000       0.000000 359.5139       363.3039 ?        ?        45.65332 20.86391 0.000000       20.86391 
1 1 1 -32 5  27 o 35.94850 17.55089 -47.53292      353.6059 0.000000       0.000000 -47.53292      353.6059 ?        ?        35.94850 17.55089 0.000000       17.55089 
1 1 1 -32 6  3  o 51.77399 13.61610 274.8206       121.9898 349.7717       143.6274 80.74974       231.1150 57.90888 14.54398 40.40076 17.66059 17.50812       22.87846 
1 1 1 -32 6  4  o 38.12743 14.11282 133.0444       121.8701 93.56810       140.1200 255.6714       246.9590 36.06812 14.61684 49.11305 19.57723 -13.04493      24.43195 
1 1 1 -32 6  5  o 69.69447 11.08593 465.0313       127.5198 510.8100       139.0303 222.3995       320.0746 72.76118 11.57732 49.21231 21.14882 23.54887       24.11030 
1 1 1 -32 6  6  o 59.20403 13.03973 350.5810       128.2694 322.4130       135.3981 597.1469       400.5910 56.02053 14.14953 64.56210 25.17744 -8.541569      28.88102 
1 1 1 -32 6  7  o 69.17313 12.64377 470.0287       143.8499 470.0287       143.8499 0.000000       0.000000 69.17313 12.64377 ?        ?        0.000000       12.64377 
1 1 1 -32 6  8  o 39.80233 14.63575 146.3423       130.6942 146.3423       130.6942 0.000000       0.000000 39.80233 14.63575 ?        ?        0.000000       14.63575 
1 1 1 -32 6  9  f 29.45251 13.02198 -4.282253      128.9756 -4.282253      128.9756 0.000000       0.000000 29.45251 13.02198 ?        ?        0.000000       13.02198 
1 1 1 -32 6  10 o 61.70803 14.29405 390.6185       147.6683 390.6185       147.6683 0.000000       0.000000 61.70803 14.29405 ?        ?        0.000000       14.29405 
1 1 1 -32 6  11 o 106.4295 9.866059 1051.516       177.2724 1051.516       177.2724 0.000000       0.000000 106.4295 9.866059 ?        ?        0.000000       9.866059 
1 1 1 -32 6  12 o 20.64348 10.19474 -252.2433      130.6689 -252.2433      130.6689 0.000000       0.000000 20.64348 10.19474 ?        ?        0.000000       10.19474 
1 1 1 -32 6  13 o 60.89050 15.02848 389.3857       155.3175 389.3857       155.3175 0.000000       0.000000 60.89050 15.02848 ?        ?        0.000000       15.02848 
1 1 1 -32 6  14 f 50.21529 15.96791 271.2011       154.0300 271.2011       154.0300 0.000000       0.000000 50.21529 15.96791 ?        ?        0.000000       15.96791 
1 1 1 -32 6  15 o 104.3801 13.56566 1092.111       236.0864 1092.111       236.0864 0.000000       0.000000 104.3801 13.56566 ?        ?        0.000000       13.56566 
1 1 1 -32 6  16 o 44.54219 17.97220 191.8665       210.8363 191.8665       210.8363 0.000000       0.000000 44.54219 17.97220 ?        ?        0.000000       17.97220 
1 1 1 -32 6  17 o 92.48689 15.70160 911.7429       239.1175 911.7429       239.1175 0.000000       0.000000 92.48689 15.70160 ?        ?        0.000000       15.70160 
1 1 1 -32 6  18 f 38.39794 17.72673 -6.866969      271.5938 -6.866969      271.5938 0.000000       0.000000 38.39794 17.72673 ?        ?        0.000000       17.72673 
1 1 1 -32 6  19 o 49.35742 19.41052 293.2151       239.7477 293.2151       239.7477 0.000000       0.000000 49.35742 19.41052 ?        ?        0.000000       19.41052 
1 1 1 -32 6  20 o 49.54914 19.83751 307.1924       254.7051 307.1924       254.7051 0.000000       0.000000 49.54914 19.83751 ?        ?        0.000000       19.83751 
1 1 1 -32 6  21 o 52.09485 21.96488 393.8276       334.0581 0.000000       0.000000 393.8276       334.0581 ?        ?        52.09485 21.96488 0.000000       21.96488 
1 1 1 -32 6  22 o 49.04938 19.44457 315.8672       242.3907 105.4537       386.3813 452.4131       311.2566 43.26648 20.35732 54.21452 21.85013 -10.94804      29.86383 
1 1 1 -32 6  23 f 107.2624 14.57494 1259.702       260.0527 1468.052       351.4826 1007.699       386.5542 106.1694 20.12315 74.51900 25.37475 31.65043       32.38548 
1 1 1 -32 6  24 o 41.19860 17.59062 190.0663       218.8704 41.74509       336.1530 299.2185       288.3710 39.04589 18.55364 45.92643 19.90525 -6.880531      27.21133 
1 1 1 -32 6  25 o 81.17831 22.52872 1054.132       323.3245 0.000000       0.000000 1054.132       323.3245 ?        ?        81.17831 22.52872 0.000000       22.52872 
1 1 1 -32 6  26 o 34.90187 16.73613 -18.97680      286.9499 0.000000       0.000000 -18.97680      286.9499 ?        ?        34.90187 16.73613 0.000000       16.73613 
1 1 1 -32 7  5  o 59.28671 13.22377 357.1767       130.4736 447.1310       147.1303 26.00501       282.3045 66.36447 13.44343 40.57026 18.48283 25.79421       22.85478 
1 1 1 -32 7  6  o 52.99989 14.74625 297.0895       138.3395 297.0895       138.3395 0.000000       0.000000 52.99989 14.74625 ?        ?        0.000000       14.74625 
1 1 1 -32 7  7  o 44.78903 14.51605 206.7654       126.8336 206.7654       126.8336 0.000000       0.000000 44.78903 14.51605 ?        ?        0.000000       14.51605 
1 1 1 -32 7  8  o 101.1560 9.559717 949.0238       163.1773 949.0238       163.1773 0.000000       0.000000 101.1560 9.559717 ?        ?        0.000000       9.559717 
1 1 1 -32 7  9  o 58.46077 15.85502 367.4892       162.2816 367.4892       162.2816 0.000000       0.000000 58.46077 15.85502 ?        ?        0.000000       15.85502 
1 1 1 -32 7  10 o 29.04765 12.84545 -3.082152      125.5616 -3.082152      125.5616 0.000000       0.000000 29.04765 12.84545 ?        ?        0.000000       12.84545 
1 1 1 -32 7  11 o 67.38174 13.29615 456.9756       147.5594 456.9756       147.5594 0.000000       0.000000 67.38174 13.29615 ?        ?        0.000000       13.29615 
1 1 1 -32 7  12 o 51.65742 15.19133 284.5719       142.9318 284.5719       142.9318 0.000000       0.000000 51.65742 15.19133 ?        ?        0.000000       15.19133 
1 1 1 -32 7  13 o 98.96550 10.37978 925.0699       172.8064 925.0699       172.8064 0.000000       0.000000 98.96550 10.37978 ?        ?        0.000000       10.37978 
1 1 1 -32 7  14 o 44.43049 18.82450 171.1358       247.2833 171.1358       247.2833 0.000000       0.000000 44.43049 18.82450 ?        ?        0.000000       18.82450 
1 1 1 -32 7  15 o 127.0364 11.78987 1569.412       252.8484 1569.412       252.8484 0.000000       0.000000 127.0364 11.78987 ?        ?        0.000000       11.78987 
1 1 1 -32 7  16 o 100.7289 14.34086 1050.330       239.7131 1050.330       239.7131 0.000000       0.000000 100.7289 14.34086 ?        ?        0.000000       14.34086 
1 1 1 -32 7  17 o 35.08795 16.47818 -80.39650      251.1351 -80.39650      251.1351 0.000000       0.000000 35.08795 16.47818 ?        ?        0.000000       16.47818 
1 1 1 -32 7  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 7  19 o 45.15056 20.53724 168.5061       346.8181 0.000000       0.000000 168.5061       346.8181 ?        ?        45.15056 20.53724 0.000000       20.53724 
1 1 1 -32 7  20 o 113.0789 10.87011 1248.090       207.3160 1236.444       258.6753 1269.003       346.6484 107.7393 14.42160 98.48067 21.23733 9.258636       25.67112 
1 1 1 -32 7  21 o 40.03541 17.54553 131.7260       229.4053 -12.77231      288.8339 378.6387       377.5623 37.48767 17.62649 50.06753 22.20119 -12.57986      28.34759 
1 1 1 -32 7  22 o 37.53161 16.63531 98.04899       211.7606 41.03251       301.4788 153.5742       297.5100 38.70147 18.13650 41.75711 19.00438 -3.055641      26.26974 
1 1 1 -32 7  23 o 33.52487 15.62379 -8.212648      218.6920 1.827868       343.7265 -15.04126      283.4662 38.30406 18.35421 36.06809 17.10925 2.235970       25.09190 
1 1 1 -32 7  24 o 40.46408 18.22350 177.1158       265.0807 -305.6857      381.5069 627.7739       368.5884 33.91390 16.86469 54.61281 23.05181 -20.69891      28.56227 
1 1 1 -32 7  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 8  6  o 41.16958 14.98591 168.5757       136.5271 168.5757       136.5271 0.000000       0.000000 41.16958 14.98591 ?        ?        0.000000       14.98591 
1 1 1 -32 8  7  o 70.14924 15.45337 527.9128       180.1191 527.9128       180.1191 0.000000       0.000000 70.14924 15.45337 ?        ?        0.000000       15.45337 
1 1 1 -32 8  8  o 41.18465 14.30748 171.7666       123.0988 171.7666       123.0988 0.000000       0.000000 41.18465 14.30748 ?        ?        0.000000       14.30748 
1 1 1 -32 8  9  o 77.58990 11.15362 581.9843       143.5341 581.9843       143.5341 0.000000       0.000000 77.58990 11.15362 ?        ?        0.000000       11.15362 
1 1 1 -32 8  10 o 37.99620 15.29907 118.3288       152.4374 118.3288       152.4374 0.000000       0.000000 37.99620 15.29907 ?        ?        0.000000       15.29907 
1 1 1 -32 8  11 o 53.37842 14.46358 302.3074       135.1197 302.3074       135.1197 0.000000       0.000000 53.37842 14.46358 ?        ?        0.000000       14.46358 
1 1 1 -32 8  12 o 36.31569 14.30568 109.9569       130.4305 109.9569       130.4305 0.000000       0.000000 36.31569 14.30568 ?        ?        0.000000       14.30568 
1 1 1 -32 8  13 o 41.25928 15.17225 170.5576       140.4540 170.5576       140.4540 0.000000       0.000000 41.25928 15.17225 ?        ?        0.000000       15.17225 
1 1 1 -32 8  14 o 99.31490 15.90683 1061.999       260.6688 1061.999       260.6688 0.000000       0.000000 99.31490 15.90683 ?        ?        0.000000       15.90683 
1 1 1 -32 8  15 o 67.43900 17.89717 533.9720       209.5276 533.9720       209.5276 0.000000       0.000000 67.43900 17.89717 ?        ?        0.000000       17.89717 
1 1 1 -32 8  16 o 85.97327 15.77833 805.8356       223.1103 805.8356       223.1103 0.000000       0.000000 85.97327 15.77833 ?        ?        0.000000       15.77833 
1 1 1 -32 8  17 o 70.57609 18.21186 599.2703       220.9606 599.2703       220.9606 0.000000       0.000000 70.57609 18.21186 ?        ?        0.000000       18.21186 
1 1 1 -32 8  18 o 39.96426 19.37251 -126.0902      410.1970 0.000000       0.000000 -126.0902      410.1970 ?        ?        39.96426 19.37251 0.000000       19.37251 
1 1 1 -32 8  19 o 83.65846 13.69593 740.8840       188.8881 908.7384       229.7857 391.1259       331.6963 90.55730 15.41132 51.15114 21.74286 39.40616       26.65072 
1 1 1 -32 8  20 o 57.60088 16.92171 406.4407       177.4288 375.0920       216.6471 470.2963       309.2023 52.67488 18.91937 54.16592 21.79641 -1.491032      28.86219 
1 1 1 -32 8  21 o 82.28378 13.66192 732.1591       185.2347 755.1751       232.0960 691.7779       307.4274 77.80150 17.84863 64.38637 22.59663 13.41513       28.79551 
1 1 1 -32 8  22 o 58.66692 17.20985 442.5264       183.6409 237.1438       230.3227 800.9474       304.2647 43.20236 18.22818 69.92957 22.46432 -26.72721      28.92943 
1 1 1 -32 8  23 o 31.47813 14.98814 -71.19891      221.6050 105.2074       280.4083 -364.6638      361.6695 38.56791 17.87774 32.53188 16.21657 6.036037       24.13692 
1 1 1 -32 9  9  o 21.12991 10.35313 -203.4756      126.3503 -203.4756      126.3503 0.000000       0.000000 21.12991 10.35313 ?        ?        0.000000       10.35313 
1 1 1 -32 9  10 o 29.22717 12.64896 24.03046       116.1046 24.03046       116.1046 0.000000       0.000000 29.22717 12.64896 ?        ?        0.000000       12.64896 
1 1 1 -32 9  11 o 20.96955 10.20515 -167.6805      116.8688 -167.6805      116.8688 0.000000       0.000000 20.96955 10.20515 ?        ?        0.000000       10.20515 
1 1 1 -32 9  12 o 95.16015 10.16907 866.0989       162.6901 866.0989       162.6901 0.000000       0.000000 95.16015 10.16907 ?        ?        0.000000       10.16907 
1 1 1 -32 9  13 o 32.04383 14.25701 17.03677       156.9765 17.03677       156.9765 0.000000       0.000000 32.04383 14.25701 ?        ?        0.000000       14.25701 
1 1 1 -32 9  14 o 68.08133 13.40005 484.1652       150.2418 484.1652       150.2418 0.000000       0.000000 68.08133 13.40005 ?        ?        0.000000       13.40005 
1 1 1 -32 9  15 o 48.60028 15.52968 268.5811       145.5559 268.5811       145.5559 0.000000       0.000000 48.60028 15.52968 ?        ?        0.000000       15.52968 
1 1 1 -32 9  16 o 43.05450 20.57748 46.96707       426.0048 0.000000       0.000000 46.96707       426.0048 ?        ?        43.05450 20.57748 0.000000       20.57748 
1 1 1 -32 9  17 o 55.37236 16.98697 374.4144       175.9435 505.7623       206.4528 25.89723       336.2957 63.33786 18.15267 39.99624 18.87129 23.34162       26.18483 
1 1 1 -32 9  18 o 52.94074 18.77376 377.1460       212.6781 309.7654       254.3797 533.6251       387.6532 47.84613 19.57873 54.12817 23.26836 -6.282040      30.40959 
1 1 1 -32 9  19 o 33.00283 15.10999 8.048501       191.7138 269.5733       248.7627 -374.4675      300.8525 45.50447 19.05783 30.48644 15.12907 15.01804       24.33290 
1 1 1 -32 9  20 o 47.06558 18.28415 298.2383       210.6425 284.2698       260.4237 324.6682       358.2222 45.63321 19.32524 46.59565 21.06609 -0.9624481     28.58749 
1 1 1 -31 0  1  f 87.11897 11.42043 706.0027       161.8115 706.0027       161.8115 706.0027       161.8115 87.11897 11.42043 87.11897 11.42043 0.000000       0.000000 
1 1 1 -31 0  2  o 27.52826 16.48330 83.86433       138.2587 83.86433       138.2587 83.86433       138.2587 27.52826 16.48330 27.52826 16.48330 -0.000000      0.000000 
1 1 1 -31 0  3  o 101.8637 10.43275 942.0546       177.1144 942.0546       177.1144 942.0546       177.1144 101.8637 10.43275 101.8637 10.43275 -0.000000      0.000000 
1 1 1 -31 0  4  o 202.9026 8.773652 3613.796       302.7044 3613.796       302.7044 3613.796       302.7044 202.9026 8.773652 202.9026 8.773652 -0.000000      0.000000 
1 1 1 -31 0  5  o 23.92582 15.69060 -5.463723      160.3569 -5.463723      160.3569 -5.463723      160.3569 23.92582 15.69060 23.92582 15.69060 0.000000       0.000000 
1 1 1 -31 0  6  o 78.86938 16.55856 626.5866       196.3961 626.5866       196.3961 626.5866       196.3961 78.86938 16.55856 78.86938 16.55856 0.000000       0.000000 
1 1 1 -31 0  7  o 23.93427 16.03866 -45.59203      183.0280 -45.59203      183.0280 -45.59203      183.0280 23.93427 16.03866 23.93427 16.03866 -0.000000      0.000000 
1 1 1 -31 0  8  f 127.1856 11.31076 1457.503       241.1897 1457.503       241.1897 1457.503       241.1897 127.1856 11.31076 127.1856 11.31076 0.000000       0.000000 
1 1 1 -31 0  9  o 41.14889 22.04708 239.8620       212.5346 239.8620       212.5346 239.8620       212.5346 41.14889 22.04708 41.14889 22.04708 0.000000       0.000000 
1 1 1 -31 0  10 o 58.62271 26.16796 481.7512       278.2563 481.7512       278.2563 481.7512       278.2563 58.62271 26.16796 58.62271 26.16796 0.000000       0.000000 
1 1 1 -31 0  11 o 68.67946 26.64099 616.8003       297.3002 616.8003       297.3002 616.8003       297.3002 68.67946 26.64099 68.67946 26.64099 0.000000       0.000000 
1 1 1 -31 0  12 o 114.6626 22.06736 1352.161       385.8768 1352.161       385.8768 1352.161       385.8768 114.6626 22.06736 114.6626 22.06736 -0.000000      0.000000 
1 1 1 -31 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  27 o 42.49275 25.03734 359.9144       309.7251 359.9144       309.7251 359.9144       309.7251 42.49275 25.03734 42.49275 25.03734 -0.000000      0.000000 
1 1 1 -31 0  28 o 48.21985 27.59492 520.7868       358.9812 520.7868       358.9812 520.7868       358.9812 48.21985 27.59492 48.21985 27.59492 0.000000       0.000000 
1 1 1 -31 0  29 o 29.66986 19.82298 79.63602       275.9990 79.63602       275.9990 79.63602       275.9990 29.66986 19.82298 29.66986 19.82298 0.000000       0.000000 
1 1 1 -31 0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  1  o 40.40907 13.22168 154.9135       105.1193 126.2622       133.0196 202.5640       171.5450 38.85524 14.67078 46.04327 16.79237 -7.188030      22.29833 
1 1 1 -31 1  2  o 100.5450 7.129687 895.5968       121.6208 1009.543       168.0082 770.1457       176.2856 105.3891 9.435252 90.51169 11.67775 14.87743       15.01312 
1 1 1 -31 1  3  o 80.17860 9.113150 583.5229       122.5586 747.3975       183.0877 450.4726       164.9725 88.77102 12.41764 67.18550 14.78064 21.58552       19.30453 
1 1 1 -31 1  4  o 61.66502 12.64108 365.3972       128.6437 334.4089       179.4059 398.1926       184.5630 56.89641 17.09021 62.03689 16.94339 -5.140480      24.06561 
1 1 1 -31 1  5  o 58.42210 13.46292 331.9549       131.5539 259.5143       182.7396 409.8849       189.5371 51.11209 17.44648 63.02987 17.15177 -11.91777      24.46554 
1 1 1 -31 1  6  o 26.42528 11.90391 -39.43076      113.1904 -114.1264      142.7406 87.11008       185.7871 26.70152 12.50234 40.06784 16.59846 -13.36632      20.78022 
1 1 1 -31 1  7  o 42.96972 14.92165 168.1658       133.8875 244.2763       179.1016 71.75586       201.5756 50.21485 17.26840 40.40916 17.05136 9.805695       24.26822 
1 1 1 -31 1  8  o 51.17365 15.63334 257.5213       149.1986 216.3784       190.7214 322.4087       239.5149 48.50936 17.70391 56.43024 19.93250 -7.920887      26.65958 
1 1 1 -31 1  9  o 31.02576 13.98308 -46.50652      156.4043 -212.4665      190.4495 297.2874       274.1115 28.69180 13.72553 55.46758 21.03193 -26.77579      25.11438 
1 1 1 -31 1  10 o 74.94257 14.27904 542.4711       176.0659 522.7844       218.3065 579.1055       297.7993 71.27821 17.94671 72.20363 22.09153 -0.9254227     28.46261 
1 1 1 -31 1  11 o 45.64391 17.68707 169.1781       196.7238 257.1858       262.2700 55.96937       297.4598 53.00164 20.45459 45.54352 19.96885 7.458122       28.58575 
1 1 1 -31 1  12 o 90.34277 23.03473 917.5807       356.4552 917.5807       356.4552 0.000000       0.000000 90.34277 23.03473 ?        ?        0.000000       23.03473 
1 1 1 -31 1  13 o 55.62706 23.05924 260.3129       358.9069 260.3129       358.9069 0.000000       0.000000 55.62706 23.05924 ?        ?        0.000000       23.05924 
1 1 1 -31 1  14 o 46.73175 20.26410 92.26821       299.1518 92.26821       299.1518 0.000000       0.000000 46.73175 20.26410 ?        ?        0.000000       20.26410 
1 1 1 -31 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 1  26 o 45.27931 20.94821 199.3516       382.2759 0.000000       0.000000 199.3516       382.2759 ?        ?        45.27931 20.94821 0.000000       20.94821 
1 1 1 -31 1  27 o 38.54983 17.94485 52.04390       287.1694 0.000000       0.000000 52.04390       287.1694 ?        ?        38.54983 17.94485 0.000000       17.94485 
1 1 1 -31 1  28 o 34.83242 16.38038 -12.00657      249.5923 -328.1376      375.4894 238.2453       334.0817 33.99036 16.87368 43.83417 20.02270 -9.843811      26.18453 
1 1 1 -31 1  29 o 24.86831 12.31419 -279.3226      195.2728 -313.9847      279.5026 -246.2716      272.9297 29.36690 14.57501 30.12626 14.85053 -0.7593594     20.80791 
1 1 1 -31 1  30 o 38.56647 16.92723 182.7204       214.2324 464.4655       331.7202 -18.87429      280.5972 47.21696 20.87965 33.98148 16.36050 13.23549       26.52595 
1 1 1 -31 2  1  o 113.5071 6.573842 1135.300       126.8764 1005.229       172.8310 1287.324       186.8486 104.8434 9.765702 119.1216 9.258116 -14.27816      13.45666 
1 1 1 -31 2  2  o 66.83527 9.616050 411.2065       106.5900 264.2243       142.7170 596.6158       160.2910 51.05547 15.22192 79.10792 12.26241 -28.05245      19.54671 
1 1 1 -31 2  3  o 114.3647 7.065130 1156.281       137.3036 1149.208       178.4509 1166.545       214.9586 112.5790 9.367428 111.8923 11.40965 0.6867523      14.76241 
1 1 1 -31 2  4  o 100.3605 7.745831 896.1066       131.7224 864.2011       168.4848 946.2668       211.2552 97.06274 10.32343 99.94727 12.66146 -2.884537      16.33664 
1 1 1 -31 2  5  o 29.68266 12.77309 11.41234       117.0414 -73.51216      135.3112 263.7422       233.2393 27.38259 12.59461 52.02583 19.47094 -24.64323      23.18926 
1 1 1 -31 2  6  o 68.72116 13.29625 454.0913       150.3934 607.1310       185.5038 160.5830       256.8982 79.10625 14.25662 47.48731 19.58167 31.61895       24.22174 
1 1 1 -31 2  7  o 29.44641 13.00897 -16.52347      128.4688 -14.98820      141.9377 -23.48067      302.1492 30.96389 13.67692 42.91466 19.37953 -11.95078      23.71971 
1 1 1 -31 2  8  o 92.79321 11.13424 792.1009       172.9096 736.8126       198.1727 968.4257       353.9026 87.94098 13.63790 93.36998 22.46818 -5.429001      26.28329 
1 1 1 -31 2  9  o 43.56374 16.26846 161.4091       162.6512 98.80179       182.6063 401.8128       357.8279 40.61786 16.60083 61.72848 23.87253 -21.11062      29.07723 
1 1 1 -31 2  10 o 37.21644 16.09111 27.55658       187.5322 27.55658       187.5322 0.000000       0.000000 37.21644 16.09111 ?        ?        0.000000       16.09111 
1 1 1 -31 2  11 o 57.88652 20.25512 346.5301       246.9285 346.5301       246.9285 0.000000       0.000000 57.88652 20.25512 ?        ?        0.000000       20.25512 
1 1 1 -31 2  12 o 47.00647 19.88420 126.2724       275.2057 126.2724       275.2057 0.000000       0.000000 47.00647 19.88420 ?        ?        0.000000       19.88420 
1 1 1 -31 2  13 o 65.67978 21.48926 475.2412       277.6855 475.2412       277.6855 0.000000       0.000000 65.67978 21.48926 ?        ?        0.000000       21.48926 
1 1 1 -31 2  14 o 75.25029 21.77292 635.2995       295.7425 635.2995       295.7425 0.000000       0.000000 75.25029 21.77292 ?        ?        0.000000       21.77292 
1 1 1 -31 2  15 o 55.26495 23.04313 265.6940       361.4032 265.6940       361.4032 0.000000       0.000000 55.26495 23.04313 ?        ?        0.000000       23.04313 
1 1 1 -31 2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 2  25 o 36.96637 18.09398 -260.6246      382.9927 0.000000       0.000000 -260.6246      382.9927 ?        ?        36.96637 18.09398 0.000000       18.09398 
1 1 1 -31 2  26 o 39.97345 18.47229 72.73077       295.9975 0.000000       0.000000 72.73077       295.9975 ?        ?        39.97345 18.47229 0.000000       18.47229 
1 1 1 -31 2  27 o 57.92578 21.75414 544.4634       291.6383 0.000000       0.000000 544.4634       291.6383 ?        ?        57.92578 21.75414 0.000000       21.75414 
1 1 1 -31 2  28 o 90.91277 14.59679 928.3494       218.9447 777.3612       341.7326 1033.484       285.1588 64.39508 23.66817 87.91327 19.50468 -23.51819      30.66944 
1 1 1 -31 2  29 o 34.30722 15.92684 38.45400       223.7826 -443.4027      298.1013 660.6088       338.7303 28.41034 14.24526 56.32272 22.76092 -27.91237      26.85120 
1 1 1 -31 2  30 o 29.31135 13.92564 -50.52421      189.2112 -26.17723      275.0757 -72.38869      260.6749 33.55365 16.16567 32.06376 15.51856 1.489895       22.40881 
1 1 1 -31 3  1  o 20.88518 9.988507 -120.5086      100.7232 -48.47537      140.9591 -195.6593      143.9771 28.85562 13.11281 23.88752 11.55451 4.968098       17.47720 
1 1 1 -31 3  2  o 95.62932 7.668380 816.3013       124.1733 775.1771       156.4897 886.2125       204.0374 91.70045 10.16436 96.19996 12.73325 -4.499512      16.29263 
1 1 1 -31 3  3  o 91.11083 8.528348 748.1835       131.1459 644.6188       155.3140 1005.468       244.8003 82.93452 11.25758 101.0426 14.61183 -18.10806      18.44556 
1 1 1 -31 3  4  o 86.42811 9.067018 677.2381       131.8266 599.2700       154.4761 886.1864       252.8844 79.75993 11.68844 93.39353 16.45766 -13.63360      20.18599 
1 1 1 -31 3  5  o 90.40381 8.565343 734.4891       130.6536 644.4727       160.2001 913.2963       225.7846 82.93324 11.63172 97.14863 14.01533 -14.21539      18.21336 
1 1 1 -31 3  6  o 80.09911 11.49006 599.0448       152.6624 614.3316       183.1159 564.2037       276.4481 79.58171 13.98483 70.88355 21.19729 8.698158       25.39489 
1 1 1 -31 3  7  o 30.39256 13.12416 9.253631       124.4358 -30.59680      138.7110 173.5173       281.6212 29.77349 13.31292 49.03470 20.38452 -19.26120      24.34671 
1 1 1 -31 3  8  o 61.30757 13.43003 363.6957       136.7137 313.8712       153.3461 556.7255       301.8307 56.02293 15.50348 70.10082 22.35905 -14.07789      27.20818 
1 1 1 -31 3  9  o 38.66464 15.66584 91.80160       160.9176 91.80160       160.9176 0.000000       0.000000 38.66464 15.66584 ?        ?        0.000000       15.66584 
1 1 1 -31 3  10 o 76.64603 15.32053 579.1874       193.5128 579.1874       193.5128 0.000000       0.000000 76.64603 15.32053 ?        ?        0.000000       15.32053 
1 1 1 -31 3  11 o 97.75948 12.93871 901.4927       210.6915 901.4927       210.6915 0.000000       0.000000 97.75948 12.93871 ?        ?        0.000000       12.93871 
1 1 1 -31 3  12 o 95.79588 13.67765 876.1951       217.3958 876.1951       217.3958 0.000000       0.000000 95.79588 13.67765 ?        ?        0.000000       13.67765 
1 1 1 -31 3  13 o 62.59890 18.53797 413.3213       212.2022 413.3213       212.2022 0.000000       0.000000 62.59890 18.53797 ?        ?        0.000000       18.53797 
1 1 1 -31 3  14 o 86.25596 21.38202 826.6894       313.3737 826.6894       313.3737 0.000000       0.000000 86.25596 21.38202 ?        ?        0.000000       21.38202 
1 1 1 -31 3  15 o 71.24400 21.52186 576.1711       283.9193 576.1711       283.9193 0.000000       0.000000 71.24400 21.52186 ?        ?        0.000000       21.52186 
1 1 1 -31 3  16 o 32.50503 16.14126 -633.6185      344.6250 -633.6185      344.6250 0.000000       0.000000 32.50503 16.14126 ?        ?        0.000000       16.14126 
1 1 1 -31 3  17 o 40.01858 19.05322 -228.1080      357.9737 -228.1080      357.9737 0.000000       0.000000 40.01858 19.05322 ?        ?        0.000000       19.05322 
1 1 1 -31 3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 3  24 o 35.96025 17.29886 -167.6905      312.1670 0.000000       0.000000 -167.6905      312.1670 ?        ?        35.96025 17.29886 0.000000       17.29886 
1 1 1 -31 3  25 o 44.85054 19.81780 208.2690       298.2716 0.000000       0.000000 208.2690       298.2716 ?        ?        44.85054 19.81780 0.000000       19.81780 
1 1 1 -31 3  26 o 57.93518 21.84134 532.1376       294.5403 0.000000       0.000000 532.1376       294.5403 ?        ?        57.93518 21.84134 0.000000       21.84134 
1 1 1 -31 3  27 o 37.75660 17.54382 49.64865       272.4962 0.000000       0.000000 49.64865       272.4962 ?        ?        37.75660 17.54382 0.000000       17.54382 
1 1 1 -31 3  28 o 44.65266 19.60073 287.5218       287.3197 0.000000       0.000000 287.5218       287.3197 ?        ?        44.65266 19.60073 0.000000       19.60073 
1 1 1 -31 3  29 o 31.45349 15.20069 -97.68810      247.7933 824.1805       379.7918 -780.9799      326.9748 58.90713 23.99304 26.15737 13.31505 32.74976       27.44005 
1 1 1 -31 3  30 o 61.74617 24.11780 919.6581       368.0326 919.6581       368.0326 0.000000       0.000000 61.74617 24.11780 ?        ?        0.000000       24.11780 
1 1 1 -31 4  1  o 22.59525 10.53956 -75.81924      99.87099 -85.32930      122.0398 -56.53771      173.7724 25.04591 11.67197 31.59333 14.43493 -6.547419      18.56346 
1 1 1 -31 4  2  o 89.62149 8.451671 724.9846       127.8196 758.8084       149.5071 633.1056       246.4104 90.89049 9.786855 75.82573 19.05334 15.06476       21.41990 
1 1 1 -31 4  3  o 58.28169 11.60091 325.2523       111.3988 320.2257       133.1411 336.9844       203.4069 56.61554 13.87857 55.88859 18.39710 0.7269516      23.04491 
1 1 1 -31 4  4  o 35.79602 13.28502 106.2200       108.1343 86.24691       126.2947 161.0774       209.3053 35.36576 14.03070 44.63099 17.94237 -9.265236      22.77694 
1 1 1 -31 4  5  f 77.67748 10.11176 556.4113       130.9497 528.2068       148.4672 655.2217       277.8899 74.52470 12.07966 76.01084 20.80314 -1.486137      24.05596 
1 1 1 -31 4  6  o 43.39086 15.59984 173.6111       147.3258 200.0878       162.1623 48.45705       352.5657 45.87915 16.38001 46.88008 21.07382 -1.000938      26.69102 
1 1 1 -31 4  7  o 106.0455 8.914721 1012.275       159.9388 1139.705       175.9192 404.9326       384.0562 112.3420 9.252273 60.68480 24.33686 51.65721       26.03627 
1 1 1 -31 4  8  o 31.79031 13.70686 15.42604       135.3146 15.42604       135.3146 0.000000       0.000000 31.79031 13.70686 ?        ?        0.000000       13.70686 
1 1 1 -31 4  9  o 109.1213 11.30012 1100.411       207.5174 1100.411       207.5174 0.000000       0.000000 109.1213 11.30012 ?        ?        0.000000       11.30012 
1 1 1 -31 4  10 o 39.63548 15.27692 122.0367       146.1535 122.0367       146.1535 0.000000       0.000000 39.63548 15.27692 ?        ?        0.000000       15.27692 
1 1 1 -31 4  11 o 67.50991 16.27409 462.6236       185.4187 462.6236       185.4187 0.000000       0.000000 67.50991 16.27409 ?        ?        0.000000       16.27409 
1 1 1 -31 4  12 o 116.0208 11.23305 1242.258       219.7675 1242.258       219.7675 0.000000       0.000000 116.0208 11.23305 ?        ?        0.000000       11.23305 
1 1 1 -31 4  13 o 215.8162 9.509646 4189.405       350.4696 4189.405       350.4696 0.000000       0.000000 215.8162 9.509646 ?        ?        0.000000       9.509646 
1 1 1 -31 4  14 o 58.73623 18.21351 364.5696       201.6526 364.5696       201.6526 0.000000       0.000000 58.73623 18.21351 ?        ?        0.000000       18.21351 
1 1 1 -31 4  15 o 40.23914 17.92537 10.54973       248.9686 10.54973       248.9686 0.000000       0.000000 40.23914 17.92537 ?        ?        0.000000       17.92537 
1 1 1 -31 4  16 o 95.20476 17.78186 945.7135       278.4619 945.7135       278.4619 0.000000       0.000000 95.20476 17.78186 ?        ?        0.000000       17.78186 
1 1 1 -31 4  17 o 38.33545 18.29826 -234.7141      334.5895 -234.7141      334.5895 0.000000       0.000000 38.33545 18.29826 ?        ?        0.000000       18.29826 
1 1 1 -31 4  18 o 121.4968 15.95284 1497.896       322.9821 1497.896       322.9821 0.000000       0.000000 121.4968 15.95284 ?        ?        0.000000       15.95284 
1 1 1 -31 4  19 o 42.19727 19.97036 -138.6115      381.8291 -138.6115      381.8291 0.000000       0.000000 42.19727 19.97036 ?        ?        0.000000       19.97036 
1 1 1 -31 4  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 4  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 4  23 o 98.65857 20.82303 1212.813       339.7972 0.000000       0.000000 1212.813       339.7972 ?        ?        98.65857 20.82303 0.000000       20.82303 
1 1 1 -31 4  24 o 83.29423 21.84247 942.9220       314.5118 0.000000       0.000000 942.9220       314.5118 ?        ?        83.29423 21.84247 0.000000       21.84247 
1 1 1 -31 4  25 o 62.13519 22.11820 595.5177       295.4709 0.000000       0.000000 595.5177       295.4709 ?        ?        62.13519 22.11820 0.000000       22.11820 
1 1 1 -31 4  26 f 38.15489 17.67857 50.27755       273.7567 0.000000       0.000000 50.27755       273.7567 ?        ?        38.15489 17.67857 0.000000       17.67857 
1 1 1 -31 4  27 o 67.17538 22.40493 740.9192       301.3228 0.000000       0.000000 740.9192       301.3228 ?        ?        67.17538 22.40493 0.000000       22.40493 
1 1 1 -31 4  28 o 37.57949 17.48433 90.63822       272.0699 0.000000       0.000000 90.63822       272.0699 ?        ?        37.57949 17.48433 0.000000       17.48433 
1 1 1 -31 4  29 o 51.40311 21.69885 563.1076       326.6361 0.000000       0.000000 563.1076       326.6361 ?        ?        51.40311 21.69885 0.000000       21.69885 
1 1 1 -31 5  1  o 50.04745 13.07540 250.2345       112.9782 238.7109       139.5511 272.1536       192.4650 48.19182 15.18558 50.60629 17.86862 -2.414463      23.44972 
1 1 1 -31 5  2  o 43.14534 14.08158 182.7666       119.2649 115.0990       137.6302 386.7765       238.9730 37.99010 14.77362 58.35292 19.95090 -20.36282      24.82535 
1 1 1 -31 5  3  o 52.22851 13.70429 273.1355       123.7589 343.0690       151.0643 130.3990       215.8175 57.80640 15.12778 43.00353 17.85831 14.80287       23.40447 
1 1 1 -31 5  4  o 78.94490 9.571614 572.9135       126.3981 461.5779       141.2516 1020.337       283.1627 69.11848 12.42406 98.60162 17.45588 -29.48315      21.42581 
1 1 1 -31 5  5  o 124.1031 7.877539 1376.059       166.0805 1442.299       184.2588 1089.171       383.4655 126.5509 8.576952 94.48841 23.78287 32.06249       25.28219 
1 1 1 -31 5  6  o 77.65276 10.61211 561.4944       137.0380 515.3041       146.8905 871.5795       380.5911 73.43789 12.13708 82.58984 24.91088 -9.151947      27.71029 
1 1 1 -31 5  7  o 35.43510 14.14905 83.65444       129.1977 83.65444       129.1977 0.000000       0.000000 35.43510 14.14905 ?        ?        0.000000       14.14905 
1 1 1 -31 5  8  o 36.93424 14.51310 99.08745       133.9272 99.08745       133.9272 0.000000       0.000000 36.93424 14.51310 ?        ?        0.000000       14.51310 
1 1 1 -31 5  9  o 73.64515 12.50580 518.3395       151.6493 518.3395       151.6493 0.000000       0.000000 73.64515 12.50580 ?        ?        0.000000       12.50580 
1 1 1 -31 5  10 o 32.76005 13.94423 31.54420       136.7629 31.54420       136.7629 0.000000       0.000000 32.76005 13.94423 ?        ?        0.000000       13.94423 
1 1 1 -31 5  11 o 35.60247 15.37657 30.22391       170.8728 30.22391       170.8728 0.000000       0.000000 35.60247 15.37657 ?        ?        0.000000       15.37657 
1 1 1 -31 5  12 o 43.95031 15.74574 179.6810       149.9702 179.6810       149.9702 0.000000       0.000000 43.95031 15.74574 ?        ?        0.000000       15.74574 
1 1 1 -31 5  13 o 68.01147 16.23358 474.9344       185.9219 474.9344       185.9219 0.000000       0.000000 68.01147 16.23358 ?        ?        0.000000       16.23358 
1 1 1 -31 5  14 o 28.09309 13.34274 -162.6087      173.4423 -162.6087      173.4423 0.000000       0.000000 28.09309 13.34274 ?        ?        0.000000       13.34274 
1 1 1 -31 5  15 f 57.70790 17.83571 355.9974       193.5543 355.9974       193.5543 0.000000       0.000000 57.70790 17.83571 ?        ?        0.000000       17.83571 
1 1 1 -31 5  16 f 55.17204 18.26858 327.5580       200.4664 327.5580       200.4664 0.000000       0.000000 55.17204 18.26858 ?        ?        0.000000       18.26858 
1 1 1 -31 5  17 o 141.9654 12.64454 1929.843       303.3311 1929.843       303.3311 0.000000       0.000000 141.9654 12.64454 ?        ?        0.000000       12.64454 
1 1 1 -31 5  18 o 32.93541 15.91217 -274.1508      271.0273 -274.1508      271.0273 0.000000       0.000000 32.93541 15.91217 ?        ?        0.000000       15.91217 
1 1 1 -31 5  19 o 92.79964 23.76074 1104.850       378.1614 1104.850       378.1614 0.000000       0.000000 92.79964 23.76074 ?        ?        0.000000       23.76074 
1 1 1 -31 5  20 o 52.84224 21.63894 325.0015       311.0157 325.0015       311.0157 0.000000       0.000000 52.84224 21.63894 ?        ?        0.000000       21.63894 
1 1 1 -31 5  21 o 111.1649 14.66366 1276.871       271.5694 1265.141       410.7896 1285.977       361.9450 95.07463 24.97778 102.1533 21.43230 -7.078674      32.91250 
1 1 1 -31 5  22 o 58.95244 24.22257 548.5773       391.3591 0.000000       0.000000 548.5773       391.3591 ?        ?        58.95244 24.22257 0.000000       24.22257 
1 1 1 -31 5  23 o 68.69994 24.92575 791.9052       377.2583 0.000000       0.000000 791.9052       377.2583 ?        ?        68.69994 24.92575 0.000000       24.92575 
1 1 1 -31 5  24 o 32.05005 15.94497 -457.9249      342.6074 0.000000       0.000000 -457.9249      342.6074 ?        ?        32.05005 15.94497 0.000000       15.94497 
1 1 1 -31 5  25 o 42.79705 19.85294 142.6216       346.7385 0.000000       0.000000 142.6216       346.7385 ?        ?        42.79705 19.85294 0.000000       19.85294 
1 1 1 -31 5  26 o 59.16565 23.73052 671.7148       365.2062 0.000000       0.000000 671.7148       365.2062 ?        ?        59.16565 23.73052 0.000000       23.73052 
1 1 1 -31 5  27 o 33.66407 16.54647 -203.5181      330.7932 0.000000       0.000000 -203.5181      330.7932 ?        ?        33.66407 16.54647 0.000000       16.54647 
1 1 1 -31 5  28 o 31.29233 15.50597 -260.0238      311.5995 0.000000       0.000000 -260.0238      311.5995 ?        ?        31.29233 15.50597 0.000000       15.50597 
1 1 1 -31 6  1  o 48.00302 14.36594 237.0828       126.9402 145.0908       161.9676 383.5638       204.3824 40.82287 15.98452 58.14751 18.38337 -17.32464      24.36089 
1 1 1 -31 6  2  o 39.59438 13.96676 147.9260       117.5597 246.6149       132.1360 -226.8132      257.4847 48.96254 14.65788 32.94804 15.81362 16.01450       21.56210 
1 1 1 -31 6  3  o 59.46659 13.77164 355.4868       137.0977 314.5786       168.6872 435.0865       235.3060 54.32886 16.62735 61.46243 19.75647 -7.133572      25.82222 
1 1 1 -31 6  4  o 27.32315 12.04349 -8.163513      109.4936 -95.75715      122.6863 334.6758       242.7198 24.66870 11.56336 54.90783 19.98223 -30.23912      23.08681 
1 1 1 -31 6  5  o 94.23056 8.901359 807.8440       141.5387 789.0198       151.9414 931.3649       389.2145 92.55344 9.760699 83.94838 25.16250 8.605057       26.98930 
1 1 1 -31 6  6  o 35.26843 13.82896 92.02299       121.3590 92.02299       121.3590 0.000000       0.000000 35.26843 13.82896 ?        ?        0.000000       13.82896 
1 1 1 -31 6  7  o 62.88406 13.15184 389.4749       136.6896 389.4749       136.6896 0.000000       0.000000 62.88406 13.15184 ?        ?        0.000000       13.15184 
1 1 1 -31 6  8  o 88.45750 10.46189 726.9338       154.9720 726.9338       154.9720 0.000000       0.000000 88.45750 10.46189 ?        ?        0.000000       10.46189 
1 1 1 -31 6  9  o 63.49208 13.61439 398.9927       143.1811 398.9927       143.1811 0.000000       0.000000 63.49208 13.61439 ?        ?        0.000000       13.61439 
1 1 1 -31 6  10 o 42.67778 15.03687 172.6052       136.2260 172.6052       136.2260 0.000000       0.000000 42.67778 15.03687 ?        ?        0.000000       15.03687 
1 1 1 -31 6  11 o 118.6054 9.249516 1277.941       185.8568 1277.941       185.8568 0.000000       0.000000 118.6054 9.249516 ?        ?        0.000000       9.249516 
1 1 1 -31 6  12 o 55.46978 15.15198 315.1586       147.5863 315.1586       147.5863 0.000000       0.000000 55.46978 15.15198 ?        ?        0.000000       15.15198 
1 1 1 -31 6  13 o 32.32816 13.93555 23.76806       139.8025 23.76806       139.8025 0.000000       0.000000 32.32816 13.93555 ?        ?        0.000000       13.93555 
1 1 1 -31 6  14 o 49.96624 17.81120 258.1720       191.6664 258.1720       191.6664 0.000000       0.000000 49.96624 17.81120 ?        ?        0.000000       17.81120 
1 1 1 -31 6  15 o 44.01769 16.85839 178.0954       177.2246 178.0954       177.2246 0.000000       0.000000 44.01769 16.85839 ?        ?        0.000000       16.85839 
1 1 1 -31 6  16 o 52.13131 18.74180 295.1949       212.6466 295.1949       212.6466 0.000000       0.000000 52.13131 18.74180 ?        ?        0.000000       18.74180 
1 1 1 -31 6  17 o 36.32073 16.30952 0.4548345      210.5443 0.4548345      210.5443 0.000000       0.000000 36.32073 16.30952 ?        ?        0.000000       16.30952 
1 1 1 -31 6  18 o 42.09938 17.89822 123.4860       224.8328 123.4860       224.8328 0.000000       0.000000 42.09938 17.89822 ?        ?        0.000000       17.89822 
1 1 1 -31 6  19 o 199.2936 11.83450 3825.870       400.9524 3825.870       400.9524 0.000000       0.000000 199.2936 11.83450 ?        ?        0.000000       11.83450 
1 1 1 -31 6  20 o 82.58381 17.54068 766.6321       239.7305 832.4694       293.5127 634.6987       415.4971 81.56320 20.95988 62.82046 25.27100 18.74274       32.83199 
1 1 1 -31 6  21 o 88.41495 22.07246 1028.311       332.2248 0.000000       0.000000 1028.311       332.2248 ?        ?        88.41495 22.07246 0.000000       22.07246 
1 1 1 -31 6  22 o 92.82392 16.18263 955.3755       247.1877 1031.296       398.3701 907.8448       315.2066 79.22934 25.72987 81.49052 22.09513 -2.261185      33.91491 
1 1 1 -31 6  23 o 114.1967 13.11278 1347.182       251.0735 1776.058       413.1259 1096.005       316.1596 115.8314 21.68289 91.82473 20.66200 24.00669       29.95106 
1 1 1 -31 6  24 o 42.46274 19.06761 162.3391       287.7780 0.000000       0.000000 162.3391       287.7780 ?        ?        42.46274 19.06761 0.000000       19.06761 
1 1 1 -31 6  25 o 40.66828 18.60277 126.2922       289.6878 0.000000       0.000000 126.2922       289.6878 ?        ?        40.66828 18.60277 0.000000       18.60277 
1 1 1 -31 6  26 o 41.01049 18.50112 178.3566       274.5800 0.000000       0.000000 178.3566       274.5800 ?        ?        41.01049 18.50112 0.000000       18.50112 
1 1 1 -31 6  27 o 35.16280 17.02392 -50.03808      314.3306 0.000000       0.000000 -50.03808      314.3306 ?        ?        35.16280 17.02392 0.000000       17.02392 
1 1 1 -31 6  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 7  2  o 31.39670 13.08287 49.19539       116.3931 181.0180       127.6124 -603.1521      283.8817 42.54476 14.57906 28.03666 14.03504 14.50810       20.23688 
1 1 1 -31 7  3  o 77.93673 10.44512 572.1871       135.5164 549.2434       149.8865 674.9244       317.1722 75.20322 12.08040 71.97437 22.91640 3.228859       25.90555 
1 1 1 -31 7  4  o 72.42300 10.77604 496.5229       129.2111 492.2353       147.2881 510.8444       269.1896 70.86610 12.63431 64.69348 21.15755 6.172615       24.64280 
1 1 1 -31 7  5  o 69.24913 15.21931 494.7256       175.0651 494.7256       175.0651 0.000000       0.000000 69.24913 15.21931 ?        ?        0.000000       15.21931 
1 1 1 -31 7  6  o 26.37035 11.85206 -28.11820      111.4590 -28.11820      111.4590 0.000000       0.000000 26.37035 11.85206 ?        ?        0.000000       11.85206 
1 1 1 -31 7  7  o 55.58942 15.58832 324.5103       153.9584 324.5103       153.9584 0.000000       0.000000 55.58942 15.58832 ?        ?        0.000000       15.58832 
1 1 1 -31 7  8  f 38.31981 14.12506 131.1183       121.8383 131.1183       121.8383 0.000000       0.000000 38.31981 14.12506 ?        ?        0.000000       14.12506 
1 1 1 -31 7  9  o 38.10310 14.25154 126.8301       124.9170 126.8301       124.9170 0.000000       0.000000 38.10310 14.25154 ?        ?        0.000000       14.25154 
1 1 1 -31 7  10 o 69.79075 12.45375 474.4073       142.9783 474.4073       142.9783 0.000000       0.000000 69.79075 12.45375 ?        ?        0.000000       12.45375 
1 1 1 -31 7  11 f 103.4373 9.716232 986.4074       169.6121 986.4074       169.6121 0.000000       0.000000 103.4373 9.716232 ?        ?        0.000000       9.716232 
1 1 1 -31 7  12 o 80.04935 11.65442 612.8795       154.6364 612.8795       154.6364 0.000000       0.000000 80.04935 11.65442 ?        ?        0.000000       11.65442 
1 1 1 -31 7  13 o 44.84013 15.22591 202.5881       139.1752 202.5881       139.1752 0.000000       0.000000 44.84013 15.22591 ?        ?        0.000000       15.22591 
1 1 1 -31 7  14 o 97.60887 16.38655 999.0417       263.4565 999.0417       263.4565 0.000000       0.000000 97.60887 16.38655 ?        ?        0.000000       16.38655 
1 1 1 -31 7  15 o 34.80089 15.74167 -17.64597      200.3217 -17.64597      200.3217 0.000000       0.000000 34.80089 15.74167 ?        ?        0.000000       15.74167 
1 1 1 -31 7  16 o 56.29952 18.89956 368.2024       214.4120 368.2024       214.4120 0.000000       0.000000 56.29952 18.89956 ?        ?        0.000000       18.89956 
1 1 1 -31 7  17 o 43.09940 17.57207 165.9338       203.9710 165.9338       203.9710 0.000000       0.000000 43.09940 17.57207 ?        ?        0.000000       17.57207 
1 1 1 -31 7  18 o 60.31070 18.97627 437.8805       218.0015 437.8805       218.0015 0.000000       0.000000 60.31070 18.97627 ?        ?        0.000000       18.97627 
1 1 1 -31 7  19 o 39.56051 19.12697 -190.9735      393.4126 0.000000       0.000000 -190.9735      393.4126 ?        ?        39.56051 19.12697 0.000000       19.12697 
1 1 1 -31 7  20 f 106.6916 12.39272 1136.947       221.5810 1027.393       298.8239 1270.757       330.2538 92.04478 19.61154 102.8516 19.51730 -10.80685      27.66835 
1 1 1 -31 7  21 o 59.38676 17.42949 422.1815       188.3177 318.3460       241.4011 583.6120       300.9949 50.09059 19.54177 62.73211 22.32471 -12.64151      29.66940 
1 1 1 -31 7  22 o 34.67738 15.56134 33.56588       191.3370 228.3960       259.2672 -199.4559      283.5422 45.12452 19.20300 33.30541 16.13535 11.81911       25.08196 
1 1 1 -31 7  23 f 33.80757 16.04299 -84.70322      249.6953 -606.0956      355.2249 424.5256       351.0569 30.65936 15.39739 51.80013 22.20166 -21.14077      27.01838 
1 1 1 -31 7  24 o 38.89436 17.26809 120.1307       229.1021 -120.3689      377.1474 260.7764       288.4145 37.63094 18.31783 45.15979 19.73517 -7.528851      26.92619 
1 1 1 -31 7  25 o 37.91420 16.95169 116.9081       224.8559 -55.54574      393.1654 200.7324       274.1092 38.23051 18.63003 41.86142 18.71648 -3.630909      26.40804 
1 1 1 -31 7  26 o 26.81260 13.20830 -246.9066      214.7166 -79.60905      407.1957 -311.3395      252.7043 37.18100 18.29138 27.97379 13.87936 9.207203       22.96108 
1 1 1 -31 7  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 8  3  o 99.96668 9.799882 932.1339       165.1419 932.1339       165.1419 0.000000       0.000000 99.96668 9.799882 ?        ?        0.000000       9.799882 
1 1 1 -31 8  4  o 83.34931 11.00287 663.7333       152.7784 663.7333       152.7784 0.000000       0.000000 83.34931 11.00287 ?        ?        0.000000       11.00287 
1 1 1 -31 8  5  o 42.58674 14.82008 181.2529       132.1046 181.2529       132.1046 0.000000       0.000000 42.58674 14.82008 ?        ?        0.000000       14.82008 
1 1 1 -31 8  6  o 36.54687 14.33572 106.6668       130.4585 106.6668       130.4585 0.000000       0.000000 36.54687 14.33572 ?        ?        0.000000       14.33572 
1 1 1 -31 8  7  o 95.85052 10.26744 859.0306       165.4427 859.0306       165.4427 0.000000       0.000000 95.85052 10.26744 ?        ?        0.000000       10.26744 
1 1 1 -31 8  8  o 102.2607 9.146546 959.9561       158.0367 959.9561       158.0367 0.000000       0.000000 102.2607 9.146546 ?        ?        0.000000       9.146546 
1 1 1 -31 8  9  o 25.57602 11.68682 -47.29526      113.9415 -47.29526      113.9415 0.000000       0.000000 25.57602 11.68682 ?        ?        0.000000       11.68682 
1 1 1 -31 8  10 o 91.91846 9.889162 787.0991       152.7836 787.0991       152.7836 0.000000       0.000000 91.91846 9.889162 ?        ?        0.000000       9.889162 
1 1 1 -31 8  11 f 58.14902 15.69247 361.4480       159.4372 361.4480       159.4372 0.000000       0.000000 58.14902 15.69247 ?        ?        0.000000       15.69247 
1 1 1 -31 8  12 o 47.04772 15.06521 231.2780       136.9245 231.2780       136.9245 0.000000       0.000000 47.04772 15.06521 ?        ?        0.000000       15.06521 
1 1 1 -31 8  13 o 24.44803 11.84671 -198.4745      153.0454 -198.4745      153.0454 0.000000       0.000000 24.44803 11.84671 ?        ?        0.000000       11.84671 
1 1 1 -31 8  14 o 31.06096 14.86958 -185.8779      224.4238 -185.8779      224.4238 0.000000       0.000000 31.06096 14.86958 ?        ?        0.000000       14.86958 
1 1 1 -31 8  15 o 52.31464 18.18487 315.1139       198.8744 315.1139       198.8744 0.000000       0.000000 52.31464 18.18487 ?        ?        0.000000       18.18487 
1 1 1 -31 8  16 o 141.4973 10.84382 1908.949       260.0247 1908.949       260.0247 0.000000       0.000000 141.4973 10.84382 ?        ?        0.000000       10.84382 
1 1 1 -31 8  17 o 33.32693 15.32415 -37.62080      200.1140 141.8518       249.3520 -362.3760      335.4222 42.75806 18.52084 34.07501 16.73085 8.683052       24.95882 
1 1 1 -31 8  18 o 80.80309 13.96563 678.5033       185.7333 741.1694       225.2661 545.4538       328.2359 81.40168 16.76369 60.57459 23.00373 20.82709       28.46389 
1 1 1 -31 8  19 o 24.55966 12.03301 -247.2308      170.6149 -374.9764      192.7172 215.8304       366.9160 23.97487 11.93262 47.07161 21.29718 -23.09674      24.41224 
1 1 1 -31 8  20 f 34.85881 15.12393 63.69590       166.8164 46.91362       203.0631 98.52963       292.5537 36.09456 16.12578 41.51609 18.87565 -5.421524      24.82601 
1 1 1 -31 8  21 o 44.27087 17.37455 223.0923       191.7225 300.2954       260.2973 131.5422       283.4533 48.33525 19.79503 41.86767 18.85108 6.467579       27.33508 
1 1 1 -31 8  22 o 63.02010 18.92734 521.9827       220.0597 428.7141       276.0329 684.6400       364.5272 53.54130 20.89417 61.45485 24.00304 -7.913544      31.82314 
1 1 1 -31 8  23 o 56.03625 18.42913 423.7795       204.1326 520.3409       286.3272 323.9678       291.1064 56.54694 21.48246 47.27468 20.23844 9.272251       29.51424 
1 1 1 -31 8  24 o 59.14337 18.38778 481.3506       205.3782 820.9907       304.2681 197.0962       278.3559 70.48392 22.44576 41.57495 18.70364 28.90897       29.21709 
1 1 1 -31 8  25 o 26.10986 12.98859 -333.6525      227.1375 -546.4418      335.0326 -152.6610      308.9878 29.03329 14.62921 33.29855 16.28881 -4.265259      21.89381 
1 1 1 -31 9  5  o 63.35567 13.54933 411.2951       142.1532 411.2951       142.1532 0.000000       0.000000 63.35567 13.54933 ?        ?        0.000000       13.54933 
1 1 1 -31 9  6  o 53.04685 16.33333 311.8946       162.4940 311.8946       162.4940 0.000000       0.000000 53.04685 16.33333 ?        ?        0.000000       16.33333 
1 1 1 -31 9  7  o 57.23040 14.32740 343.2588       139.7008 343.2588       139.7008 0.000000       0.000000 57.23040 14.32740 ?        ?        0.000000       14.32740 
1 1 1 -31 9  8  o 92.58617 10.32127 809.7767       160.4081 809.7767       160.4081 0.000000       0.000000 92.58617 10.32127 ?        ?        0.000000       10.32127 
1 1 1 -31 9  9  o 34.33335 14.07998 77.57140       131.9174 77.57140       131.9174 0.000000       0.000000 34.33335 14.07998 ?        ?        0.000000       14.07998 
1 1 1 -31 9  10 o 52.30874 15.57735 295.2544       149.5244 295.2544       149.5244 0.000000       0.000000 52.30874 15.57735 ?        ?        0.000000       15.57735 
1 1 1 -31 9  11 o 58.01555 13.62229 345.9192       132.6517 345.9192       132.6517 0.000000       0.000000 58.01555 13.62229 ?        ?        0.000000       13.62229 
1 1 1 -31 9  12 o 62.86066 13.22032 401.3566       137.4138 401.3566       137.4138 0.000000       0.000000 62.86066 13.22032 ?        ?        0.000000       13.22032 
1 1 1 -31 9  13 o 62.13735 13.59627 397.0932       140.2603 397.0932       140.2603 0.000000       0.000000 62.13735 13.59627 ?        ?        0.000000       13.59627 
1 1 1 -31 9  14 o 23.71580 11.55493 -211.9153      151.0622 -211.9153      151.0622 0.000000       0.000000 23.71580 11.55493 ?        ?        0.000000       11.55493 
1 1 1 -31 9  15 o 35.92549 15.21614 79.20944       161.4851 79.20944       161.4851 0.000000       0.000000 35.92549 15.21614 ?        ?        0.000000       15.21614 
1 1 1 -31 9  16 o 34.33999 16.76554 -295.1572      322.6642 0.000000       0.000000 -295.1572      322.6642 ?        ?        34.33999 16.76554 0.000000       16.76554 
1 1 1 -31 9  17 o 44.76361 16.54102 219.8164       167.2735 214.4480       197.2723 233.5519       315.5480 44.60232 17.58601 47.08195 20.60711 -2.479630      27.09097 
1 1 1 -31 9  18 o 50.97190 17.80407 314.6959       190.7429 507.9068       246.1366 24.22279       301.7960 61.67081 20.23435 39.79251 18.48088 21.87829       27.40387 
1 1 1 -31 9  19 o 43.92529 17.65380 214.5594       202.5660 331.7757       246.9680 -26.40685      354.0992 50.20543 19.71447 39.92678 18.99269 10.27866       27.37485 
1 1 1 -31 9  20 o 48.84164 17.81806 300.3528       193.1610 476.1044       255.2503 64.82301       295.4876 57.42081 20.54519 39.71457 18.38909 17.70624       27.57287 
1 1 1 -31 9  21 o 37.42396 15.91662 121.3842       177.9285 135.2749       204.4546 78.02892       361.2072 38.91851 16.81427 41.10757 19.44518 -2.189060      25.70670 
1 1 1 -31 9  22 o 71.76083 14.73700 584.0840       174.5465 660.5545       217.8358 446.9244       291.7397 72.05519 17.80631 51.93343 21.07552 20.12176       27.59062 
1 1 1 -31 9  23 o 36.82087 15.51663 132.6707       166.5663 102.2759       212.5986 180.9856       268.0415 36.73472 16.44954 40.75870 18.34350 -4.023975      24.63881 
1 1 1 -31 10 8  o 40.53701 15.78935 157.9191       157.4003 157.9191       157.4003 0.000000       0.000000 40.53701 15.78935 ?        ?        0.000000       15.78935 
1 1 1 -31 10 9  o 38.41328 16.23633 106.9689       183.2588 106.9689       183.2588 0.000000       0.000000 38.41328 16.23633 ?        ?        0.000000       16.23633 
1 1 1 -31 10 10 o 51.08491 17.80973 307.6583       190.8210 307.6583       190.8210 0.000000       0.000000 51.08491 17.80973 ?        ?        0.000000       17.80973 
1 1 1 -31 10 11 o 29.72058 14.01682 -107.5898      185.1622 -107.5898      185.1622 0.000000       0.000000 29.72058 14.01682 ?        ?        0.000000       14.01682 
1 1 1 -31 10 12 o 31.17061 13.09118 52.01529       117.9153 52.01529       117.9153 0.000000       0.000000 31.17061 13.09118 ?        ?        0.000000       13.09118 
1 1 1 -31 10 13 f 28.97677 12.68711 14.87036       119.6989 14.87036       119.6989 0.000000       0.000000 28.97677 12.68711 ?        ?        0.000000       12.68711 
1 1 1 -31 10 14 o 44.00434 20.09245 131.9976       335.9935 0.000000       0.000000 131.9976       335.9935 ?        ?        44.00434 20.09245 0.000000       20.09245 
1 1 1 -31 10 15 o 48.23192 15.73125 263.7299       148.8548 315.5976       161.0328 -40.80973      390.2007 52.18677 16.29144 41.16618 19.68020 11.02059       25.54841 
1 1 1 -31 10 16 o 42.93264 15.40674 202.1205       143.6385 252.4302       162.3849 21.18637       307.9502 46.69406 16.42075 39.57988 18.47721 7.114182       24.71939 
1 1 1 -31 10 17 o 47.90724 14.58631 256.4414       130.0408 211.2862       139.2457 564.4999       363.7011 43.49875 15.21096 57.32481 23.42872 -13.82605      27.93346 
1 1 1 -31 10 18 f 25.39110 12.19089 -138.9823      153.3207 -27.89325      182.2665 -407.8149      283.5386 31.38373 14.50024 29.32434 14.57530 2.059391       20.55958 
1 1 1 -31 10 19 o 35.59071 15.14216 99.56369       161.1363 144.2681       190.5726 -12.55291      301.8008 38.93169 16.51187 37.33899 17.69521 1.592705       24.20253 
1 1 1 -31 10 20 o 40.71196 15.98457 188.3732       162.3381 227.4982       195.4948 101.4684       291.3600 43.14250 17.34161 39.56406 18.29853 3.578434       25.21047 
1 1 1 -31 10 21 o 42.51751 17.45501 223.1867       203.0110 223.1867       203.0110 0.000000       0.000000 42.51751 17.45501 ?        ?        0.000000       17.45501 
1 1 1 -31 11 13 o 32.17490 14.80440 -25.05704      187.1980 -25.05704      187.1980 0.000000       0.000000 32.17490 14.80440 ?        ?        0.000000       14.80440 
1 1 1 -31 11 14 o 40.51048 15.52382 173.0750       150.3277 180.7214       163.4960 131.2611       382.3309 41.21490 16.08140 43.83492 20.50454 -2.620022      26.05854 
1 1 1 -31 11 15 o 30.69930 13.08319 49.66143       120.6641 49.66143       120.6641 0.000000       0.000000 30.69930 13.08319 ?        ?        0.000000       13.08319 
1 1 1 -30 0  1  o 68.90969 14.45428 473.4258       149.8085 473.4258       149.8085 473.4258       149.8085 68.90969 14.45428 68.90969 14.45428 0.000000       0.000000 
1 1 1 -30 0  2  o 100.7052 11.79424 930.2964       195.5504 930.2964       195.5504 930.2964       195.5504 100.7052 11.79424 100.7052 11.79424 -0.000000      0.000000 
1 1 1 -30 0  3  o 32.40388 18.87002 128.1615       172.4591 128.1615       172.4591 128.1615       172.4591 32.40388 18.87002 32.40388 18.87002 0.000000       0.000000 
1 1 1 -30 0  4  o 105.8284 10.22380 1005.330       180.8037 1005.330       180.8037 1005.330       180.8037 105.8284 10.22380 105.8284 10.22380 0.000000       0.000000 
1 1 1 -30 0  5  o 151.8837 9.619029 2034.360       247.1909 2034.360       247.1909 2034.360       247.1909 151.8837 9.619029 151.8837 9.619029 0.000000       0.000000 
1 1 1 -30 0  6  o 90.50174 14.19931 775.9653       203.3158 775.9653       203.3158 775.9653       203.3158 90.50174 14.19931 90.50174 14.19931 0.000000       0.000000 
1 1 1 -30 0  7  o 108.4523 12.40012 1074.572       221.8878 1074.572       221.8878 1074.572       221.8878 108.4523 12.40012 108.4523 12.40012 0.000000       0.000000 
1 1 1 -30 0  8  f 53.51243 22.65356 373.8938       209.5297 373.8938       209.5297 373.8938       209.5297 53.51243 22.65356 53.51243 22.65356 -0.000000      0.000000 
1 1 1 -30 0  9  o 27.52765 18.61229 -86.47823      257.0086 -86.47823      257.0086 -86.47823      257.0086 27.52765 18.61229 27.52765 18.61229 0.000000       0.000000 
1 1 1 -30 0  10 o 62.23382 26.73560 522.9896       291.1379 522.9896       291.1379 522.9896       291.1379 62.23382 26.73560 62.23382 26.73560 -0.000000      0.000000 
1 1 1 -30 0  11 o 53.02892 27.03303 409.9329       308.0325 409.9329       308.0325 409.9329       308.0325 53.02892 27.03303 53.02892 27.03303 0.000000       0.000000 
1 1 1 -30 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  26 o 114.8277 18.97850 1393.072       341.5782 1393.072       341.5782 1393.072       341.5782 114.8277 18.97850 114.8277 18.97850 -0.000000      0.000000 
1 1 1 -30 0  27 o 58.62317 27.10647 583.2008       299.3044 583.2008       299.3044 583.2008       299.3044 58.62317 27.10647 58.62317 27.10647 -0.000000      0.000000 
1 1 1 -30 0  28 o 41.06914 25.12681 335.8578       336.1306 335.8578       336.1306 335.8578       336.1306 41.06914 25.12681 41.06914 25.12681 0.000000       0.000000 
1 1 1 -30 0  29 o 41.22585 23.76913 331.0916       269.4478 331.0916       269.4478 331.0916       269.4478 41.22585 23.76913 41.22585 23.76913 -0.000000      0.000000 
1 1 1 -30 0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  31 f 34.35985 21.41667 231.6553       255.3081 231.6553       255.3081 231.6553       255.3081 34.35985 21.41667 34.35985 21.41667 -0.000000      0.000000 
1 1 1 -30 1  1  o 39.66223 12.58600 146.7774       95.73214 114.0383       131.6211 183.5496       139.4929 38.21360 14.55378 44.28091 15.23908 -6.067314      21.07231 
1 1 1 -30 1  2  f 53.69490 11.45515 271.6985       101.8331 205.7689       138.6952 348.8086       149.9951 46.40264 15.18736 59.47359 14.82208 -13.07096      21.22145 
1 1 1 -30 1  3  o 139.0362 6.205613 1682.053       147.3380 1693.664       204.2893 1669.467       212.6997 138.0244 8.712086 136.7461 9.161541 1.278320       12.64256 
1 1 1 -30 1  4  o 113.5109 7.563029 1134.556       145.7612 966.2619       181.7062 1438.326       244.1230 103.2962 10.44461 125.4693 11.52256 -22.17313      15.55183 
1 1 1 -30 1  5  o 82.61353 9.711522 615.2380       134.3917 515.2798       163.2083 825.7551       236.8519 73.76715 13.45184 92.44874 15.55518 -18.68159      20.56491 
1 1 1 -30 1  6  o 161.3881 7.019531 2273.062       193.4557 2077.230       253.5423 2545.938       299.2886 152.4574 9.790442 168.3154 10.46454 -15.85799      14.33036 
1 1 1 -30 1  7  o 132.2749 7.547989 1536.047       169.7878 1465.996       229.8045 1620.253       251.9535 127.5014 10.65216 133.7588 11.13161 -6.257370      15.40718 
1 1 1 -30 1  8  o 136.5675 8.120603 1643.122       188.5281 1497.847       239.7005 1878.751       305.2735 128.7192 11.01092 143.0432 12.62702 -14.32402      16.75356 
1 1 1 -30 1  9  o 90.76439 11.67821 754.0662       176.8075 835.5773       219.2934 602.6514       298.8829 94.27327 14.05108 75.18594 21.92692 19.08733       26.04270 
1 1 1 -30 1  10 o 64.71760 16.95858 415.1828       189.6795 189.4993       243.5543 763.0655       302.3864 49.64623 19.55128 85.54750 20.88192 -35.90127      28.60607 
1 1 1 -30 1  11 o 90.33707 22.97811 880.3113       355.3044 880.3113       355.3044 0.000000       0.000000 90.33707 22.97811 ?        ?        0.000000       22.97811 
1 1 1 -30 1  12 o 57.08690 23.38404 255.1627       363.3371 255.1627       363.3371 0.000000       0.000000 57.08690 23.38404 ?        ?        0.000000       23.38404 
1 1 1 -30 1  13 o 41.02957 19.54691 -317.3689      378.0198 -317.3689      378.0198 0.000000       0.000000 41.02957 19.54691 ?        ?        0.000000       19.54691 
1 1 1 -30 1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 1  25 o 40.87188 19.01155 -14.89596      321.3636 0.000000       0.000000 -14.89596      321.3636 ?        ?        40.87188 19.01155 0.000000       19.01155 
1 1 1 -30 1  26 o 36.06478 17.61591 -284.4884      357.4137 0.000000       0.000000 -284.4884      357.4137 ?        ?        36.06478 17.61591 0.000000       17.61591 
1 1 1 -30 1  27 o 40.41576 17.14908 149.1544       205.7140 -401.1826      309.7374 583.5021       275.1681 31.18588 15.45436 63.44378 21.40991 -32.25790      26.40495 
1 1 1 -30 1  28 f 34.71110 16.87863 -174.1624      317.9353 0.000000       0.000000 -174.1624      317.9353 ?        ?        34.71110 16.87863 0.000000       16.87863 
1 1 1 -30 1  29 o 50.29165 17.99148 342.6272       195.7325 299.6603       275.2959 386.5508       278.3442 45.94577 19.67566 49.65946 20.41882 -3.713692      28.35595 
1 1 1 -30 1  30 o 32.37201 14.84112 24.83422       185.8095 -331.0816      265.2424 367.8046       260.3740 28.41329 14.11815 47.72549 19.70037 -19.31219      24.23688 
1 1 1 -30 1  31 o 30.89141 15.35466 -261.6716      314.7648 -261.6716      314.7648 0.000000       0.000000 30.89141 15.35466 ?        ?        0.000000       15.35466 
1 1 1 -30 2  1  o 69.98941 8.968060 443.7510       104.7194 449.3344       140.1818 436.7010       157.5212 68.74361 12.39757 66.70577 14.26058 2.037834       18.89613 
1 1 1 -30 2  2  o 71.16058 9.885001 462.4409       116.8765 617.2380       144.1083 164.9142       199.7885 82.04111 10.52920 45.32797 17.75173 36.71314       20.63948 
1 1 1 -30 2  3  o 21.59787 10.23159 -107.6859      100.7174 -227.4554      124.4365 119.8118       171.4996 20.89800 10.24668 41.28904 16.35971 -20.39104      19.30374 
1 1 1 -30 2  4  o 96.53310 7.872150 824.4371       128.6392 697.4197       163.8422 1028.579       207.7113 87.14879 11.27362 105.7950 11.69266 -18.64624      16.24232 
1 1 1 -30 2  5  o 123.3611 7.011891 1333.459       147.1019 1217.745       189.3274 1509.718       233.6671 116.5757 9.595723 129.1655 10.68981 -12.58975      14.36489 
1 1 1 -30 2  6  o 63.95972 12.68057 385.7225       133.6060 332.6735       152.6526 559.4040       276.2117 58.32696 15.17960 72.45414 21.06419 -14.12718      25.96383 
1 1 1 -30 2  7  o 75.94160 12.28787 536.2834       153.9091 423.8579       173.3345 955.2227       334.6016 65.76567 15.65910 95.38480 21.10139 -29.61913      26.27691 
1 1 1 -30 2  8  o 93.33671 11.23532 794.6289       175.4798 743.0898       201.0004 959.8098       359.8390 88.89938 13.67874 94.39418 22.61938 -5.494797      26.43377 
1 1 1 -30 2  9  o 67.47306 16.23289 448.2048       184.7620 354.0517       234.9766 600.6983       299.0426 59.37177 19.78437 74.85279 21.96231 -15.48103      29.55950 
1 1 1 -30 2  10 o 42.21285 18.14528 48.61245       235.7206 48.61245       235.7206 0.000000       0.000000 42.21285 18.14528 ?        ?        0.000000       18.14528 
1 1 1 -30 2  11 o 43.03047 18.61621 43.38091       251.3138 43.38091       251.3138 0.000000       0.000000 43.03047 18.61621 ?        ?        0.000000       18.61621 
1 1 1 -30 2  12 o 99.29675 17.51528 972.0383       286.1431 972.0383       286.1431 0.000000       0.000000 99.29675 17.51528 ?        ?        0.000000       17.51528 
1 1 1 -30 2  13 o 37.38602 17.52351 -189.9948      281.6817 -189.9948      281.6817 0.000000       0.000000 37.38602 17.52351 ?        ?        0.000000       17.52351 
1 1 1 -30 2  14 o 56.61511 21.88932 293.9823       300.7835 293.9823       300.7835 0.000000       0.000000 56.61511 21.88932 ?        ?        0.000000       21.88932 
1 1 1 -30 2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 2  24 o 45.51213 20.33606 119.5387       323.0617 0.000000       0.000000 119.5387       323.0617 ?        ?        45.51213 20.33606 0.000000       20.33606 
1 1 1 -30 2  25 o 51.94030 21.33040 329.3012       303.2875 0.000000       0.000000 329.3012       303.2875 ?        ?        51.94030 21.33040 0.000000       21.33040 
1 1 1 -30 2  26 o 46.92356 20.06681 242.8004       285.6431 0.000000       0.000000 242.8004       285.6431 ?        ?        46.92356 20.06681 0.000000       20.06681 
1 1 1 -30 2  27 o 35.13118 16.65459 -73.81997      267.7954 0.000000       0.000000 -73.81997      267.7954 ?        ?        35.13118 16.65459 0.000000       16.65459 
1 1 1 -30 2  28 o 36.65852 16.92047 37.91179       247.2742 -12.03636      367.6413 79.17413       334.1501 39.30976 18.87465 40.42768 18.99281 -1.117916      26.77647 
1 1 1 -30 2  29 o 36.56919 16.30059 94.24593       206.2235 172.5647       338.3341 47.94808       260.1317 41.95628 19.51299 36.83502 17.12411 5.121258       25.96135 
1 1 1 -30 2  30 o 23.43759 11.61690 -271.4554      175.3254 -367.6197      257.5854 -188.4481      239.3164 27.33485 13.63543 29.37189 14.36106 -2.037048      19.80315 
1 1 1 -30 2  31 o 28.42239 13.67029 -91.94608      194.7355 -132.7713      267.4224 -45.85967      284.1317 31.04111 15.17799 33.33137 16.14894 -2.290260      22.16212 
1 1 1 -30 3  1  o 59.09510 11.64726 331.4368       113.3585 340.3414       153.4482 320.7391       168.1904 58.09367 15.26781 55.90148 16.49031 2.192188       22.47301 
1 1 1 -30 3  2  o 52.07673 12.14780 259.5992       106.0495 358.4279       130.0620 63.55848       183.1816 61.04950 12.88072 38.49505 16.24982 22.55445       20.73571 
1 1 1 -30 3  3  o 34.49904 12.99057 90.29951       104.1301 129.0140       125.8539 6.277681       185.4070 39.22474 14.37141 36.00936 15.77749 3.215382       21.34167 
1 1 1 -30 3  4  f 46.31819 13.72098 205.5016       116.2370 233.0389       132.8118 115.3702       240.2781 49.02858 14.69932 45.00574 18.77920 4.022842       23.84803 
1 1 1 -30 3  5  o 117.6715 7.400983 1218.197       147.9600 1133.519       179.7120 1396.373       260.6852 112.4555 9.445741 122.7133 12.61993 -10.25780      15.76340 
1 1 1 -30 3  6  o 46.34340 14.29594 204.2757       124.4180 207.4494       139.9984 192.3505       271.3767 46.83557 15.25513 50.41118 20.37246 -3.575611      25.45105 
1 1 1 -30 3  7  o 105.4746 9.454174 996.4050       168.4765 1092.495       202.0090 776.8623       305.3456 109.6388 10.93548 85.50236 21.05288 24.13643       23.72359 
1 1 1 -30 3  8  o 33.01633 14.30927 5.862936       149.0112 57.64817       173.4388 -140.1194      291.2014 37.97580 15.90935 39.33590 18.22837 -1.360096      24.19464 
1 1 1 -30 3  9  o 41.21968 16.42260 112.0973       173.7028 112.0973       173.7028 0.000000       0.000000 41.21968 16.42260 ?        ?        0.000000       16.42260 
1 1 1 -30 3  10 o 57.52572 17.53107 330.0628       187.7843 330.0628       187.7843 0.000000       0.000000 57.52572 17.53107 ?        ?        0.000000       17.53107 
1 1 1 -30 3  11 o 102.5871 12.65032 975.0510       216.9187 975.0510       216.9187 0.000000       0.000000 102.5871 12.65032 ?        ?        0.000000       12.65032 
1 1 1 -30 3  12 o 44.61082 17.64482 143.5772       199.1765 143.5772       199.1765 0.000000       0.000000 44.61082 17.64482 ?        ?        0.000000       17.64482 
1 1 1 -30 3  13 o 115.2605 15.82174 1281.481       303.1975 1281.481       303.1975 0.000000       0.000000 115.2605 15.82174 ?        ?        0.000000       15.82174 
1 1 1 -30 3  14 o 71.54958 21.23710 551.0452       278.2573 551.0452       278.2573 0.000000       0.000000 71.54958 21.23710 ?        ?        0.000000       21.23710 
1 1 1 -30 3  15 o 53.22409 21.13749 242.8421       286.9113 242.8421       286.9113 0.000000       0.000000 53.22409 21.13749 ?        ?        0.000000       21.13749 
1 1 1 -30 3  16 o 48.06168 21.38227 47.79614       353.0336 47.79614       353.0336 0.000000       0.000000 48.06168 21.38227 ?        ?        0.000000       21.38227 
1 1 1 -30 3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 3  23 o 56.78891 22.61039 394.5042       329.0561 0.000000       0.000000 394.5042       329.0561 ?        ?        56.78891 22.61039 0.000000       22.61039 
1 1 1 -30 3  24 o 69.57578 24.96810 721.2576       377.2431 0.000000       0.000000 721.2576       377.2431 ?        ?        69.57578 24.96810 0.000000       24.96810 
1 1 1 -30 3  25 o 36.43113 17.20001 -93.17603      280.1682 0.000000       0.000000 -93.17603      280.1682 ?        ?        36.43113 17.20001 0.000000       17.20001 
1 1 1 -30 3  26 f 58.14603 21.44475 486.3158       280.8851 0.000000       0.000000 486.3158       280.8851 ?        ?        58.14603 21.44475 0.000000       21.44475 
1 1 1 -30 3  27 o 34.41557 16.50494 -118.9931      279.2657 0.000000       0.000000 -118.9931      279.2657 ?        ?        34.41557 16.50494 0.000000       16.50494 
1 1 1 -30 3  28 o 70.63097 23.92641 868.0516       343.6687 0.000000       0.000000 868.0516       343.6687 ?        ?        70.63097 23.92641 0.000000       23.92641 
1 1 1 -30 3  29 o 31.71864 15.15653 -86.56876      230.8716 -251.9754      350.2994 40.45501       306.9767 33.82103 16.70049 37.79694 17.89315 -3.975910      24.47593 
1 1 1 -30 3  30 o 33.58698 15.25843 60.09112       190.6856 204.6549       329.6055 -12.63402      233.7798 40.78445 19.06512 33.00055 15.62031 7.783897       24.64697 
1 1 1 -30 3  31 o 26.85157 12.97686 -115.4612      180.6078 60.47834       309.1976 -206.5797      222.5141 35.96045 17.27791 27.37837 13.47906 8.582075       21.91372 
1 1 1 -30 4  1  o 87.21813 7.863610 679.7112       115.8604 598.7441       142.6395 836.7195       198.6309 80.35359 10.65820 93.70135 12.74428 -13.34776      16.61366 
1 1 1 -30 4  2  o 92.27676 7.726732 757.8785       120.6352 752.3040       148.0441 768.8948       208.1144 90.90163 9.686330 88.94302 14.17818 1.958618       17.17107 
1 1 1 -30 4  3  o 63.02069 11.30950 372.4245       117.2383 358.0868       133.3559 421.2166       246.0064 60.84230 13.21364 62.34669 20.21748 -1.504383      24.15257 
1 1 1 -30 4  4  o 97.68932 8.000380 847.9215       132.2922 692.4295       155.5283 1254.826       251.5947 86.87814 10.71003 115.5755 12.97169 -28.69732      16.82170 
1 1 1 -30 4  5  o 42.31950 13.99730 165.7849       117.6967 125.6803       130.4027 342.0188       273.3594 39.27618 14.58650 57.99236 21.19054 -18.71619      25.72557 
1 1 1 -30 4  6  o 54.02301 15.40101 287.6078       149.0017 254.2439       164.4311 440.7756       352.3134 51.02145 16.52730 63.99125 23.93409 -12.96980      29.08595 
1 1 1 -30 4  7  o 38.62261 14.70560 113.4074       134.3588 113.4074       134.3588 0.000000       0.000000 38.62261 14.70560 ?        ?        0.000000       14.70560 
1 1 1 -30 4  8  o 33.68389 14.06460 42.18289       134.9071 42.18289       134.9071 0.000000       0.000000 33.68389 14.06460 ?        ?        0.000000       14.06460 
1 1 1 -30 4  9  o 71.29696 13.34747 482.7826       156.5342 482.7826       156.5342 0.000000       0.000000 71.29696 13.34747 ?        ?        0.000000       13.34747 
1 1 1 -30 4  10 o 90.75108 13.90269 781.0604       208.5886 781.0604       208.5886 0.000000       0.000000 90.75108 13.90269 ?        ?        0.000000       13.90269 
1 1 1 -30 4  11 o 118.0189 10.83441 1265.514       215.9149 1265.514       215.9149 0.000000       0.000000 118.0189 10.83441 ?        ?        0.000000       10.83441 
1 1 1 -30 4  12 o 34.89457 15.39850 -11.36849      179.5013 -11.36849      179.5013 0.000000       0.000000 34.89457 15.39850 ?        ?        0.000000       15.39850 
1 1 1 -30 4  13 o 74.64893 16.30527 554.0699       202.0337 554.0699       202.0337 0.000000       0.000000 74.64893 16.30527 ?        ?        0.000000       16.30527 
1 1 1 -30 4  14 o 85.32509 18.22870 744.8572       257.5394 744.8572       257.5394 0.000000       0.000000 85.32509 18.22870 ?        ?        0.000000       18.22870 
1 1 1 -30 4  15 o 65.74085 19.83074 461.1561       241.1811 461.1561       241.1811 0.000000       0.000000 65.74085 19.83074 ?        ?        0.000000       19.83074 
1 1 1 -30 4  16 o 44.91693 19.28109 91.27161       265.5003 91.27161       265.5003 0.000000       0.000000 44.91693 19.28109 ?        ?        0.000000       19.28109 
1 1 1 -30 4  17 o 178.9401 13.63879 3038.635       413.6207 3038.635       413.6207 0.000000       0.000000 178.9401 13.63879 ?        ?        0.000000       13.63879 
1 1 1 -30 4  18 o 72.71046 22.01954 609.6036       296.9317 609.6036       296.9317 0.000000       0.000000 72.71046 22.01954 ?        ?        0.000000       22.01954 
1 1 1 -30 4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  22 o 54.28600 23.44645 310.9772       397.3087 0.000000       0.000000 310.9772       397.3087 ?        ?        54.28600 23.44645 0.000000       23.44645 
1 1 1 -30 4  23 o 33.03958 16.10035 -321.0272      293.6303 0.000000       0.000000 -321.0272      293.6303 ?        ?        33.03958 16.10035 0.000000       16.10035 
1 1 1 -30 4  24 o 55.10839 21.43882 393.8422       289.9148 0.000000       0.000000 393.8422       289.9148 ?        ?        55.10839 21.43882 0.000000       21.43882 
1 1 1 -30 4  25 o 42.48713 18.84700 131.5542       272.3459 0.000000       0.000000 131.5542       272.3459 ?        ?        42.48713 18.84700 0.000000       18.84700 
1 1 1 -30 4  26 o 34.78617 16.65174 -121.5443      281.3306 0.000000       0.000000 -121.5443      281.3306 ?        ?        34.78617 16.65174 0.000000       16.65174 
1 1 1 -30 4  27 o 34.03168 16.29598 -104.6759      269.9382 0.000000       0.000000 -104.6759      269.9382 ?        ?        34.03168 16.29598 0.000000       16.29598 
1 1 1 -30 4  28 o 49.56604 21.20337 401.5932       319.0933 0.000000       0.000000 401.5932       319.0933 ?        ?        49.56604 21.20337 0.000000       21.20337 
1 1 1 -30 4  29 o 45.62216 18.26052 296.8495       215.7570 416.4798       311.1398 186.0407       299.4487 48.56239 20.86002 40.92931 18.79235 7.633087       28.07656 
1 1 1 -30 4  30 o 60.05301 18.46344 530.5757       207.7278 491.5612       291.3744 570.9009       296.2286 50.24166 20.79772 53.55951 21.41106 -3.317848      29.84927 
1 1 1 -30 5  1  o 76.63348 9.309979 536.6060       119.3319 566.3647       149.1692 483.7100       198.8761 77.40073 11.64664 67.70669 17.17447 9.694038       20.75107 
1 1 1 -30 5  2  o 105.0404 8.597149 992.4888       152.8590 1018.920       188.2806 941.3798       261.8160 105.0540 10.64205 96.15842 16.54080 8.895607       19.66853 
1 1 1 -30 5  3  o 104.0742 7.628949 962.4864       134.6397 968.0163       157.3593 947.3757       260.1208 103.6024 8.983398 96.99991 16.28053 6.602539       18.59454 
1 1 1 -30 5  4  o 63.87088 11.27046 382.7628       118.4332 337.8959       130.6167 590.1655       280.8293 58.95385 13.29178 72.43753 21.29135 -13.48368      25.09966 
1 1 1 -30 5  5  o 49.06027 15.15752 236.4880       139.8051 253.3268       152.1873 145.4578       353.8470 50.55001 15.84703 50.80380 22.03436 -0.2537880     27.14114 
1 1 1 -30 5  6  o 28.13494 12.50019 -23.64983      120.2628 -23.64983      120.2628 0.000000       0.000000 28.13494 12.50019 ?        ?        0.000000       12.50019 
1 1 1 -30 5  7  o 43.82275 14.78188 178.5449       131.1674 178.5449       131.1674 0.000000       0.000000 43.82275 14.78188 ?        ?        0.000000       14.78188 
1 1 1 -30 5  8  o 45.70662 14.98463 198.1237       134.9961 198.1237       134.9961 0.000000       0.000000 45.70662 14.98463 ?        ?        0.000000       14.98463 
1 1 1 -30 5  9  o 79.78700 11.73996 591.6851       155.1740 591.6851       155.1740 0.000000       0.000000 79.78700 11.73996 ?        ?        0.000000       11.73996 
1 1 1 -30 5  10 o 65.23731 13.93996 411.7226       150.5833 411.7226       150.5833 0.000000       0.000000 65.23731 13.93996 ?        ?        0.000000       13.93996 
1 1 1 -30 5  11 o 51.69827 15.52180 263.2515       148.0126 263.2515       148.0126 0.000000       0.000000 51.69827 15.52180 ?        ?        0.000000       15.52180 
1 1 1 -30 5  12 o 89.44852 14.66385 772.8405       216.2232 772.8405       216.2232 0.000000       0.000000 89.44852 14.66385 ?        ?        0.000000       14.66385 
1 1 1 -30 5  13 o 106.2692 11.62312 1043.149       207.4880 1043.149       207.4880 0.000000       0.000000 106.2692 11.62312 ?        ?        0.000000       11.62312 
1 1 1 -30 5  14 o 47.00534 18.59221 178.5584       221.1427 178.5584       221.1427 0.000000       0.000000 47.00534 18.59221 ?        ?        0.000000       18.59221 
1 1 1 -30 5  15 o 119.7787 11.32235 1322.634       228.8429 1322.634       228.8429 0.000000       0.000000 119.7787 11.32235 ?        ?        0.000000       11.32235 
1 1 1 -30 5  16 o 58.46210 18.32989 359.4454       203.6037 359.4454       203.6037 0.000000       0.000000 58.46210 18.32989 ?        ?        0.000000       18.32989 
1 1 1 -30 5  17 o 47.70283 20.73467 120.2028       314.7018 120.2028       314.7018 0.000000       0.000000 47.70283 20.73467 ?        ?        0.000000       20.73467 
1 1 1 -30 5  18 o 63.15995 21.89761 462.4930       288.2808 462.4930       288.2808 0.000000       0.000000 63.15995 21.89761 ?        ?        0.000000       21.89761 
1 1 1 -30 5  19 o 59.83433 23.84910 420.0052       366.4682 420.0052       366.4682 0.000000       0.000000 59.83433 23.84910 ?        ?        0.000000       23.84910 
1 1 1 -30 5  20 o 43.61182 19.57399 47.47584       302.8730 47.47584       302.8730 0.000000       0.000000 43.61182 19.57399 ?        ?        0.000000       19.57399 
1 1 1 -30 5  21 o 38.76233 18.27773 -132.4315      314.5812 0.000000       0.000000 -132.4315      314.5812 ?        ?        38.76233 18.27773 0.000000       18.27773 
1 1 1 -30 5  22 o 41.40848 18.95356 11.80286       301.3857 0.000000       0.000000 11.80286       301.3857 ?        ?        41.40848 18.95356 0.000000       18.95356 
1 1 1 -30 5  23 o 51.20029 20.96150 307.3960       291.7589 0.000000       0.000000 307.3960       291.7589 ?        ?        51.20029 20.96150 0.000000       20.96150 
1 1 1 -30 5  24 o 77.88338 21.27476 791.9506       290.9594 0.000000       0.000000 791.9506       290.9594 ?        ?        77.88338 21.27476 0.000000       21.27476 
1 1 1 -30 5  25 o 50.00225 20.75410 333.7480       291.2703 0.000000       0.000000 333.7480       291.2703 ?        ?        50.00225 20.75410 0.000000       20.75410 
1 1 1 -30 5  26 o 31.50762 15.66195 -423.0071      327.7019 0.000000       0.000000 -423.0071      327.7019 ?        ?        31.50762 15.66195 0.000000       15.66195 
1 1 1 -30 5  27 o 51.40379 21.58409 434.1089       320.4244 0.000000       0.000000 434.1089       320.4244 ?        ?        51.40379 21.58409 0.000000       21.58409 
1 1 1 -30 5  28 o 49.11045 20.87758 403.6353       305.8789 0.000000       0.000000 403.6353       305.8789 ?        ?        49.11045 20.87758 0.000000       20.87758 
1 1 1 -30 5  29 o 33.14818 16.09516 -98.81026      286.3097 0.000000       0.000000 -98.81026      286.3097 ?        ?        33.14818 16.09516 0.000000       16.09516 
1 1 1 -30 5  30 o 39.22017 17.22228 202.6581       221.9967 -168.6275      362.5156 425.4365       280.8078 33.60027 16.66294 47.28898 20.04915 -13.68871      26.06956 
1 1 1 -30 6  1  o 34.53978 13.11431 93.91041       106.6667 205.3443       126.4944 -180.3400      198.4432 45.48882 14.47100 29.78941 14.18384 15.69941       20.26305 
1 1 1 -30 6  2  o 30.29434 13.26633 1.495710       130.9290 -51.31895      151.9324 153.8882       258.0804 29.85113 13.58388 46.09779 19.36425 -16.24666      23.65367 
1 1 1 -30 6  3  o 58.85620 12.29522 334.8761       119.5904 371.0105       138.7029 230.1918       236.0838 61.28526 13.60793 49.35624 19.30590 11.92901       23.61977 
1 1 1 -30 6  4  o 75.68463 9.741761 525.7400       122.9833 463.7266       134.3297 847.0014       305.7443 70.00302 11.64626 86.88540 20.86861 -16.88238      23.89841 
1 1 1 -30 6  5  o 53.69766 13.68334 284.2633       125.8348 284.2633       125.8348 0.000000       0.000000 53.69766 13.68334 ?        ?        0.000000       13.68334 
1 1 1 -30 6  6  o 40.84521 14.24876 152.0831       122.1512 152.0831       122.1512 0.000000       0.000000 40.84521 14.24876 ?        ?        0.000000       14.24876 
1 1 1 -30 6  7  o 27.85368 12.86028 -83.45270      143.0007 -83.45270      143.0007 0.000000       0.000000 27.85368 12.86028 ?        ?        0.000000       12.86028 
1 1 1 -30 6  8  o 35.73148 14.07365 86.32153       126.2180 86.32153       126.2180 0.000000       0.000000 35.73148 14.07365 ?        ?        0.000000       14.07365 
1 1 1 -30 6  9  o 37.98158 14.44641 112.2716       129.5793 112.2716       129.5793 0.000000       0.000000 37.98158 14.44641 ?        ?        0.000000       14.44641 
1 1 1 -30 6  10 o 38.20911 14.61066 112.5394       132.9854 112.5394       132.9854 0.000000       0.000000 38.20911 14.61066 ?        ?        0.000000       14.61066 
1 1 1 -30 6  11 o 24.82061 11.67189 -112.2293      126.7114 -112.2293      126.7114 0.000000       0.000000 24.82061 11.67189 ?        ?        0.000000       11.67189 
1 1 1 -30 6  12 o 77.23814 14.45963 582.4012       183.7081 582.4012       183.7081 0.000000       0.000000 77.23814 14.45963 ?        ?        0.000000       14.45963 
1 1 1 -30 6  13 o 121.8525 9.349695 1338.710       193.0676 1338.710       193.0676 0.000000       0.000000 121.8525 9.349695 ?        ?        0.000000       9.349695 
1 1 1 -30 6  14 o 82.41399 13.75447 656.5335       186.7513 656.5335       186.7513 0.000000       0.000000 82.41399 13.75447 ?        ?        0.000000       13.75447 
1 1 1 -30 6  15 o 72.18735 15.68719 525.9099       187.8542 525.9099       187.8542 0.000000       0.000000 72.18735 15.68719 ?        ?        0.000000       15.68719 
1 1 1 -30 6  16 o 35.68383 16.02426 -23.23612      203.2684 -23.23612      203.2684 0.000000       0.000000 35.68383 16.02426 ?        ?        0.000000       16.02426 
1 1 1 -30 6  17 o 105.8518 13.72442 1087.057       242.2419 1087.057       242.2419 0.000000       0.000000 105.8518 13.72442 ?        ?        0.000000       13.72442 
1 1 1 -30 6  18 o 68.75069 21.70429 562.9615       284.9740 562.9615       284.9740 0.000000       0.000000 68.75069 21.70429 ?        ?        0.000000       21.70429 
1 1 1 -30 6  19 o 113.3698 14.99738 1290.574       283.2178 1290.574       283.2178 0.000000       0.000000 113.3698 14.99738 ?        ?        0.000000       14.99738 
1 1 1 -30 6  20 o 66.11530 19.64494 509.5853       238.0052 -219.6894      352.6378 1119.727       322.5511 38.75216 18.57466 99.62666 19.65738 -60.87450      27.04497 
1 1 1 -30 6  21 o 36.16090 17.22527 -169.7322      293.3622 0.000000       0.000000 -169.7322      293.3622 ?        ?        36.16090 17.22527 0.000000       17.22527 
1 1 1 -30 6  22 o 55.72591 19.50469 378.3616       228.9783 238.6945       377.3257 459.7781       288.0882 49.54694 22.06994 58.87644 21.71721 -9.329502      30.96320 
1 1 1 -30 6  23 o 28.51246 14.17084 -451.0844      267.8513 0.000000       0.000000 -451.0844      267.8513 ?        ?        28.51246 14.17084 0.000000       14.17084 
1 1 1 -30 6  24 o 60.18461 22.01674 536.8727       295.2119 0.000000       0.000000 536.8727       295.2119 ?        ?        60.18461 22.01674 0.000000       22.01674 
1 1 1 -30 6  25 o 38.70534 17.84927 50.40166       274.2558 0.000000       0.000000 50.40166       274.2558 ?        ?        38.70534 17.84927 0.000000       17.84927 
1 1 1 -30 6  26 o 29.50332 14.49252 -275.9122      252.5509 0.000000       0.000000 -275.9122      252.5509 ?        ?        29.50332 14.49252 0.000000       14.49252 
1 1 1 -30 6  27 o 34.71719 16.73523 -96.11628      295.7373 0.000000       0.000000 -96.11628      295.7373 ?        ?        34.71719 16.73523 0.000000       16.73523 
1 1 1 -30 6  28 o 33.02414 16.05603 -123.1509      287.4267 0.000000       0.000000 -123.1509      287.4267 ?        ?        33.02414 16.05603 0.000000       16.05603 
1 1 1 -30 6  29 o 37.54341 17.52995 125.5102       277.3991 0.000000       0.000000 125.5102       277.3991 ?        ?        37.54341 17.52995 0.000000       17.52995 
1 1 1 -30 7  1  o 45.20575 14.74404 205.3181       130.7585 205.3181       130.7585 0.000000       0.000000 45.20575 14.74404 ?        ?        0.000000       14.74404 
1 1 1 -30 7  2  o 66.75541 11.44208 424.6750       125.7410 395.8894       139.2497 551.8154       292.6503 63.28548 13.30723 67.38186 22.06141 -4.096378      25.76409 
1 1 1 -30 7  3  o 106.8393 7.839774 1022.024       142.0344 976.4997       166.5245 1143.560       272.0868 103.2798 9.550057 106.5141 15.40643 -3.234329      18.12627 
1 1 1 -30 7  4  o 46.29554 14.94517 214.4208       134.5436 234.2082       158.0415 162.3214       256.4445 48.05894 16.22558 46.26262 19.36040 1.796329       25.26053 
1 1 1 -30 7  5  o 82.07343 11.21972 633.0804       153.1300 633.0804       153.1300 0.000000       0.000000 82.07343 11.21972 ?        ?        0.000000       11.21972 
1 1 1 -30 7  6  o 55.02857 15.18799 308.7162       147.3938 308.7162       147.3938 0.000000       0.000000 55.02857 15.18799 ?        ?        0.000000       15.18799 
1 1 1 -30 7  7  o 37.24463 13.84671 115.8927       117.5723 115.8927       117.5723 0.000000       0.000000 37.24463 13.84671 ?        ?        0.000000       13.84671 
1 1 1 -30 7  8  o 50.27852 15.77879 255.3441       150.8342 255.3441       150.8342 0.000000       0.000000 50.27852 15.77879 ?        ?        0.000000       15.77879 
1 1 1 -30 7  9  o 43.65371 14.47071 182.8700       125.7672 182.8700       125.7672 0.000000       0.000000 43.65371 14.47071 ?        ?        0.000000       14.47071 
1 1 1 -30 7  10 o 95.79546 9.829678 837.4095       158.5215 837.4095       158.5215 0.000000       0.000000 95.79546 9.829678 ?        ?        0.000000       9.829678 
1 1 1 -30 7  11 o 38.23512 14.44589 119.0378       129.0250 119.0378       129.0250 0.000000       0.000000 38.23512 14.44589 ?        ?        0.000000       14.44589 
1 1 1 -30 7  12 o 52.53564 14.76205 276.8597       137.9230 276.8597       137.9230 0.000000       0.000000 52.53564 14.76205 ?        ?        0.000000       14.76205 
1 1 1 -30 7  13 o 26.12638 12.09880 -80.19592      127.9667 -80.19592      127.9667 0.000000       0.000000 26.12638 12.09880 ?        ?        0.000000       12.09880 
1 1 1 -30 7  14 o 41.91935 18.09254 76.65054       236.2437 76.65054       236.2437 0.000000       0.000000 41.91935 18.09254 ?        ?        0.000000       18.09254 
1 1 1 -30 7  15 o 44.11398 17.64311 158.6956       201.2415 158.6956       201.2415 0.000000       0.000000 44.11398 17.64311 ?        ?        0.000000       17.64311 
1 1 1 -30 7  16 o 124.1694 13.25061 1489.002       276.6255 1489.002       276.6255 0.000000       0.000000 124.1694 13.25061 ?        ?        0.000000       13.25061 
1 1 1 -30 7  17 o 29.28685 13.95264 -174.6767      192.6128 -174.6767      192.6128 0.000000       0.000000 29.28685 13.95264 ?        ?        0.000000       13.95264 
1 1 1 -30 7  18 o 124.4521 10.64978 1447.228       224.1515 1436.480       287.6311 1463.851       357.6990 119.9974 14.31942 115.6190 18.75996 4.378403       23.60047 
1 1 1 -30 7  19 o 62.90524 22.76552 519.1661       314.4117 0.000000       0.000000 519.1661       314.4117 ?        ?        62.90524 22.76552 0.000000       22.76552 
1 1 1 -30 7  20 o 30.28928 14.05559 -75.80621      174.0183 -36.08384      218.9296 -143.9669      286.7833 35.08356 16.09359 36.19055 17.17945 -1.106995      23.54011 
1 1 1 -30 7  21 o 43.88652 17.74775 187.5664       206.1064 -166.2625      297.7751 512.9732       285.5651 35.87729 17.16283 61.67324 21.76661 -25.79594      27.71909 
1 1 1 -30 7  22 o 79.26253 18.74402 751.0219       249.7214 78.65749       348.6569 1459.275       357.8410 43.23933 20.00493 109.9102 19.79356 -66.67088      28.14218 
1 1 1 -30 7  23 o 32.02150 15.16919 -106.1597      221.3533 350.4806       286.2151 -785.7753      349.1701 50.96269 20.80096 28.88978 14.60268 22.07290       25.41492 
1 1 1 -30 7  24 o 60.59636 19.27756 487.8306       224.4792 709.9171       375.6385 364.4624       279.9694 62.69779 24.40006 50.75144 20.62755 11.94635       31.95088 
1 1 1 -30 7  25 o 80.40408 16.78313 762.5023       222.9926 656.4728       392.0071 813.2256       271.1346 58.28078 24.12425 77.57214 20.25067 -19.29136      31.49713 
1 1 1 -30 7  26 o 42.10763 18.34518 203.3094       247.5239 0.000000       0.000000 203.3094       247.5239 ?        ?        42.10763 18.34518 0.000000       18.34518 
1 1 1 -30 7  27 o 44.84719 18.77046 292.2755       241.0978 0.000000       0.000000 292.2755       241.0978 ?        ?        44.84719 18.77046 0.000000       18.77046 
1 1 1 -30 7  28 o 37.83512 17.65164 124.6033       280.3495 0.000000       0.000000 124.6033       280.3495 ?        ?        37.83512 17.65164 0.000000       17.65164 
1 1 1 -30 8  1  o 47.18932 13.88538 227.7478       119.3827 202.8940       130.7154 352.7263       293.1215 44.62007 14.75079 54.62751 21.46918 -10.00744      26.04825 
1 1 1 -30 8  2  o 46.19729 14.65889 218.0327       129.8642 218.0327       129.8642 0.000000       0.000000 46.19729 14.65889 ?        ?        0.000000       14.65889 
1 1 1 -30 8  3  o 81.36859 9.889618 614.2795       134.5911 543.5765       147.4765 966.6669       329.2412 75.20911 11.87716 90.25805 21.64137 -15.04894      24.68635 
1 1 1 -30 8  4  o 59.15523 13.64859 350.8797       135.0686 350.8797       135.0686 0.000000       0.000000 59.15523 13.64859 ?        ?        0.000000       13.64859 
1 1 1 -30 8  5  o 56.64824 14.08543 325.1877       135.6795 325.1877       135.6795 0.000000       0.000000 56.64824 14.08543 ?        ?        0.000000       14.08543 
1 1 1 -30 8  6  o 37.61149 14.29530 118.4479       126.8252 118.4479       126.8252 0.000000       0.000000 37.61149 14.29530 ?        ?        0.000000       14.29530 
1 1 1 -30 8  7  o 46.03604 16.04090 211.8919       154.7892 211.8919       154.7892 0.000000       0.000000 46.03604 16.04090 ?        ?        0.000000       16.04090 
1 1 1 -30 8  8  f 38.73986 13.78268 137.2102       114.7165 137.2102       114.7165 0.000000       0.000000 38.73986 13.78268 ?        ?        0.000000       13.78268 
1 1 1 -30 8  9  o 70.05056 13.47722 483.7216       155.3651 483.7216       155.3651 0.000000       0.000000 70.05056 13.47722 ?        ?        0.000000       13.47722 
1 1 1 -30 8  10 o 69.60067 11.81685 463.3116       135.4259 463.3116       135.4259 0.000000       0.000000 69.60067 11.81685 ?        ?        0.000000       11.81685 
1 1 1 -30 8  11 o 80.49323 10.73618 606.2944       143.8952 606.2944       143.8952 0.000000       0.000000 80.49323 10.73618 ?        ?        0.000000       10.73618 
1 1 1 -30 8  12 o 59.22351 14.06198 353.0257       140.0928 353.0257       140.0928 0.000000       0.000000 59.22351 14.06198 ?        ?        0.000000       14.06198 
1 1 1 -30 8  13 o 52.87214 17.68698 299.3335       187.7752 299.3335       187.7752 0.000000       0.000000 52.87214 17.68698 ?        ?        0.000000       17.68698 
1 1 1 -30 8  14 o 51.67954 19.32343 285.1046       229.6146 285.1046       229.6146 0.000000       0.000000 51.67954 19.32343 ?        ?        0.000000       19.32343 
1 1 1 -30 8  15 o 36.67852 15.99136 40.78970       188.3833 40.78970       188.3833 0.000000       0.000000 36.67852 15.99136 ?        ?        0.000000       15.99136 
1 1 1 -30 8  16 o 30.50319 14.33295 -120.1996      190.4465 -120.1996      190.4465 0.000000       0.000000 30.50319 14.33295 ?        ?        0.000000       14.33295 
1 1 1 -30 8  17 o 45.06289 20.16338 105.9971       318.7817 0.000000       0.000000 105.9971       318.7817 ?        ?        45.06289 20.16338 0.000000       20.16338 
1 1 1 -30 8  18 o 31.42015 14.24134 -27.03481      164.9185 239.4891       196.3836 -664.6738      303.7558 47.39035 17.84085 28.42101 14.26841 18.96934       22.84477 
1 1 1 -30 8  19 o 89.90125 11.82965 789.7330       177.2000 859.6592       217.5106 651.7360       305.5591 91.18811 14.44997 69.07443 22.53918 22.11368       26.77343 
1 1 1 -30 8  20 o 70.52976 16.32364 552.7324       192.7127 696.7404       258.0704 371.2049       289.7451 75.03897 19.83785 53.28984 21.21699 21.74913       29.04653 
1 1 1 -30 8  21 o 37.07222 16.40374 62.64376       205.0540 273.4791       252.6982 -343.8362      350.8731 48.00554 19.56397 34.63686 17.02800 13.36868       25.93650 
1 1 1 -30 8  22 f 43.46958 16.65419 208.8330       172.9941 36.32137       218.0274 502.0216       284.2336 36.30711 16.42283 58.51349 21.57343 -22.20638      27.11314 
1 1 1 -30 8  23 o 52.23205 17.20217 335.1815       177.8334 607.6030       232.9744 -45.14283      275.2737 68.58158 19.15603 36.17524 17.07000 32.40634       25.65810 
1 1 1 -30 8  24 o 68.08041 17.62827 573.3870       206.5599 322.1170       325.4395 742.9045       267.3050 47.75480 20.91393 73.22826 20.54195 -25.47347      29.31491 
1 1 1 -30 8  25 o 47.87093 18.99481 325.2411       231.5036 678.5335       354.6067 62.81836       305.6191 59.13367 23.49454 38.69562 18.17421 20.43805       29.70345 
1 1 1 -30 8  26 o 64.90181 18.14997 571.4183       209.0147 91.57650       378.9834 781.1708       250.5675 39.70881 19.09165 74.48994 19.47783 -34.78114      27.27411 
1 1 1 -30 8  27 o 34.80413 15.70540 86.70644       198.0185 -72.96569      387.2308 143.2457       230.4255 36.28122 17.84653 37.73269 16.99224 -1.451473      24.64213 
1 1 1 -30 9  2  o 24.71393 11.34284 -50.93184      108.9515 -80.27789      119.2452 97.36664       268.0615 24.63616 11.49993 42.59613 18.80626 -17.95996      22.04368 
1 1 1 -30 9  3  o 31.15988 13.20684 39.24029       121.7877 39.24029       121.7877 0.000000       0.000000 31.15988 13.20684 ?        ?        0.000000       13.20684 
1 1 1 -30 9  4  o 31.40681 13.21790 43.37935       120.6158 43.37935       120.6158 0.000000       0.000000 31.40681 13.21790 ?        ?        0.000000       13.21790 
1 1 1 -30 9  5  o 82.24191 12.61890 660.6415       171.5625 660.6415       171.5625 0.000000       0.000000 82.24191 12.61890 ?        ?        0.000000       12.61890 
1 1 1 -30 9  6  o 66.10590 12.74238 430.7365       138.6291 430.7365       138.6291 0.000000       0.000000 66.10590 12.74238 ?        ?        0.000000       12.74238 
1 1 1 -30 9  7  o 43.47076 14.63174 188.8885       128.5137 188.8885       128.5137 0.000000       0.000000 43.47076 14.63174 ?        ?        0.000000       14.63174 
1 1 1 -30 9  8  o 40.73787 14.60045 158.2764       128.9586 158.2764       128.9586 0.000000       0.000000 40.73787 14.60045 ?        ?        0.000000       14.60045 
1 1 1 -30 9  9  o 40.72714 14.33210 159.6844       123.7192 159.6844       123.7192 0.000000       0.000000 40.72714 14.33210 ?        ?        0.000000       14.33210 
1 1 1 -30 9  10 o 34.73034 13.43749 95.22442       113.4139 95.22442       113.4139 0.000000       0.000000 34.73034 13.43749 ?        ?        0.000000       13.43749 
1 1 1 -30 9  11 o 46.90791 14.37506 225.8297       126.0353 225.8297       126.0353 0.000000       0.000000 46.90791 14.37506 ?        ?        0.000000       14.37506 
1 1 1 -30 9  12 f 29.58618 13.38356 -32.12804      144.8219 -32.12804      144.8219 0.000000       0.000000 29.58618 13.38356 ?        ?        0.000000       13.38356 
1 1 1 -30 9  13 o 32.34838 13.49664 53.75643       124.0966 53.75643       124.0966 0.000000       0.000000 32.34838 13.49664 ?        ?        0.000000       13.49664 
1 1 1 -30 9  14 o 38.16477 14.50688 129.3785       130.6146 129.3785       130.6146 0.000000       0.000000 38.16477 14.50688 ?        ?        0.000000       14.50688 
1 1 1 -30 9  15 o 70.06480 15.59698 522.5818       181.8135 567.2742       216.2708 414.8788       335.7341 70.78337 17.88522 56.43967 22.71198 14.34370       28.90874 
1 1 1 -30 9  16 o 38.80716 18.24934 -77.63741      309.7814 0.000000       0.000000 -77.63741      309.7814 ?        ?        38.80716 18.24934 0.000000       18.24934 
1 1 1 -30 9  17 o 64.92619 15.18784 452.1618       165.3935 272.4040       196.8176 884.1780       305.1196 49.01148 17.96980 83.60767 21.30838 -34.59620      27.87402 
1 1 1 -30 9  18 f 36.50777 15.48927 84.81193       167.7926 260.1259       191.1783 -503.1559      350.1121 47.87112 17.68465 32.67966 16.23501 15.19147       24.00672 
1 1 1 -30 9  19 o 74.83535 15.27895 606.9827       188.6502 677.4832       251.1164 515.6472       285.8240 73.72417 19.60628 60.44783 21.72891 13.27634       29.26690 
1 1 1 -30 9  20 o 43.37386 16.39818 204.7020       166.3249 214.9821       201.8484 182.9576       293.5615 44.31502 17.68827 44.42381 19.64339 -0.1087837     26.43365 
1 1 1 -30 9  21 o 51.68803 16.36156 313.9815       161.8597 371.5206       197.2075 195.2127       283.3302 54.40003 18.12460 44.20797 19.43343 10.19206       26.57365 
1 1 1 -30 9  22 o 45.64294 16.32413 244.5706       161.1246 191.1212       202.0850 337.8413       266.9532 42.17868 17.37707 49.53481 20.13875 -7.356133      26.59947 
1 1 1 -30 9  23 o 27.78416 13.18676 -99.08997      168.8318 -36.81139      202.0286 -243.2820      307.4072 32.06733 14.96869 32.89157 16.12288 -0.8242378     22.00021 
1 1 1 -30 9  24 o 42.90272 16.86428 228.5012       180.8949 153.2310       263.1813 295.9060       249.0511 40.12943 18.10747 45.76096 19.10873 -5.631527      26.32535 
1 1 1 -30 9  25 o 39.53775 16.34478 184.0076       179.6123 38.58942       273.5725 294.1797       238.1217 36.19233 17.05946 44.81754 18.69720 -8.625210      25.31028 
1 1 1 -30 10 4  o 48.05748 14.64625 244.2307       131.0655 244.2307       131.0655 0.000000       0.000000 48.05748 14.64625 ?        ?        0.000000       14.64625 
1 1 1 -30 10 5  o 42.51413 14.54803 184.4066       127.0680 184.4066       127.0680 0.000000       0.000000 42.51413 14.54803 ?        ?        0.000000       14.54803 
1 1 1 -30 10 6  o 38.09093 14.25346 132.8429       124.9783 132.8429       124.9783 0.000000       0.000000 38.09093 14.25346 ?        ?        0.000000       14.25346 
1 1 1 -30 10 7  o 37.95734 15.21329 115.2640       149.9792 115.2640       149.9792 0.000000       0.000000 37.95734 15.21329 ?        ?        0.000000       15.21329 
1 1 1 -30 10 8  f 39.39426 14.42452 146.6143       126.7575 146.6143       126.7575 0.000000       0.000000 39.39426 14.42452 ?        ?        0.000000       14.42452 
1 1 1 -30 10 9  o 98.15460 12.58617 945.1878       206.1033 945.1878       206.1033 0.000000       0.000000 98.15460 12.58617 ?        ?        0.000000       12.58617 
1 1 1 -30 10 10 o 32.65441 14.78374 -21.93312      177.1317 -21.93312      177.1317 0.000000       0.000000 32.65441 14.78374 ?        ?        0.000000       14.78374 
1 1 1 -30 10 11 o 35.14517 15.49335 30.23279       181.2663 30.23279       181.2663 0.000000       0.000000 35.14517 15.49335 ?        ?        0.000000       15.49335 
1 1 1 -30 10 12 o 26.26779 12.25987 -83.03707      135.4517 -83.03707      135.4517 0.000000       0.000000 26.26779 12.25987 ?        ?        0.000000       12.25987 
1 1 1 -30 10 13 o 36.95850 13.69439 125.6450       114.8097 86.48383       122.0159 428.1138       339.1008 34.18939 13.71528 56.34262 22.77182 -22.15323      26.58317 
1 1 1 -30 10 14 o 51.33256 22.70210 300.6396       392.2603 0.000000       0.000000 300.6396       392.2603 ?        ?        51.33256 22.70210 0.000000       22.70210 
1 1 1 -30 10 15 o 26.58125 11.92498 -17.66660      112.2812 20.97850       120.9111 -259.7652      302.6321 29.62301 12.86413 34.09318 16.55253 -4.470169      20.96359 
1 1 1 -30 10 16 o 42.04044 14.34140 183.8642       123.4804 215.9585       131.4470 -57.08760      360.1655 44.92841 14.78910 40.68773 19.29624 4.240681       24.31177 
1 1 1 -30 10 17 o 35.72327 14.91029 89.93915       151.5343 96.73436       179.2739 72.93528       283.5890 37.51598 15.96671 40.95275 18.60589 -3.436771      24.51764 
1 1 1 -30 10 18 o 41.11332 16.83198 161.3234       188.1279 243.4933       221.3834 -52.22193      356.8894 46.18970 18.49375 40.03658 19.05148 6.153118       26.55142 
1 1 1 -30 10 19 o 49.69041 16.28018 287.7956       159.3579 85.69186       190.2645 762.7708       291.6796 37.00560 16.10368 73.92519 21.69028 -36.91960      27.01475 
1 1 1 -30 10 20 o 66.07092 15.55793 495.4874       172.6322 524.2078       200.2022 412.2186       340.8900 65.54227 17.54123 51.66867 22.00432 13.87360       28.14045 
1 1 1 -30 10 21 o 56.81852 15.94910 383.5750       161.0825 485.7538       202.0008 205.1182       266.9557 61.47712 18.05405 43.11238 18.90973 18.36473       26.14435 
1 1 1 -30 10 22 f 52.10965 16.91487 347.0002       172.1740 235.6430       206.6412 599.8256       311.3637 43.42548 17.69379 58.47097 22.35690 -15.04549      28.51142 
1 1 1 -30 10 23 o 28.91495 13.34998 -21.47930      154.0860 139.9772       199.9511 -257.5546      241.7805 37.99679 16.52171 28.55859 14.05825 9.438194       21.69335 
1 1 1 -30 11 7  o 29.18716 13.01901 -4.847813      131.7917 -4.847813      131.7917 0.000000       0.000000 29.18716 13.01901 ?        ?        0.000000       13.01901 
1 1 1 -30 11 8  o 35.37974 15.40179 55.41442       174.1665 55.41442       174.1665 0.000000       0.000000 35.37974 15.40179 ?        ?        0.000000       15.40179 
1 1 1 -30 11 9  f 30.63883 14.13808 -52.55351      172.4615 -52.55351      172.4615 0.000000       0.000000 30.63883 14.13808 ?        ?        0.000000       14.13808 
1 1 1 -30 11 10 o 55.71793 17.53693 363.7317       186.1681 363.7317       186.1681 0.000000       0.000000 55.71793 17.53693 ?        ?        0.000000       17.53693 
1 1 1 -30 11 11 o 59.11398 16.90748 401.4038       179.2757 428.9612       188.4103 137.7023       582.8298 60.76130 17.31705 49.24931 23.67792 11.51199       29.33469 
1 1 1 -30 11 12 o 70.20445 28.81569 1058.341       553.1312 0.000000       0.000000 1058.341       553.1312 ?        ?        70.20445 28.81569 0.000000       28.81569 
1 1 1 -30 11 13 o 53.02661 18.07368 339.0190       196.1119 31.86522       229.5247 1169.655       377.4479 37.26749 16.85440 90.76897 23.98891 -53.50148      29.31789 
1 1 1 -30 11 14 o 90.10435 11.10306 792.5070       167.2261 926.6213       198.4158 463.6428       310.7041 96.10103 12.37831 56.50526 22.13519 39.59577       25.36117 
1 1 1 -30 11 15 o 28.64016 12.76560 -0.3772020     126.4605 -48.01094      140.8851 197.1590       286.9004 27.77318 12.80266 44.82298 19.63311 -17.04980      23.43858 
1 1 1 -30 11 16 o 64.92345 11.42620 421.2302       122.0531 297.5077       133.9392 1026.960       296.3624 51.92042 14.53255 90.60239 19.71524 -38.68197      24.49257 
1 1 1 -30 11 17 o 27.03658 11.98394 2.804497       109.9050 -25.44646      118.6810 172.9117       291.2232 26.43130 12.01920 43.27381 19.32397 -16.84251      22.75691 
1 1 1 -30 11 18 o 33.74381 13.45494 98.30334       116.6832 45.45926       124.0503 503.9802       343.7080 30.61265 13.16122 54.68218 22.60826 -24.06953      26.16010 
1 1 1 -30 11 19 o 50.92105 13.68950 287.1206       121.6086 234.1344       136.0163 498.2309       271.4967 44.93513 15.05314 56.64931 21.04533 -11.71418      25.87475 
1 1 1 -30 11 20 o 62.34712 14.32727 437.2805       149.3384 360.3902       168.8625 713.3025       319.9405 53.56050 16.67666 63.93480 22.98844 -10.37430      28.40034 
1 1 1 -30 11 21 f 42.82285 15.69742 221.0785       150.1760 450.0557       187.7094 -186.1191      250.3183 58.77100 17.44242 30.58582 14.89605 28.18518       22.93753 
1 1 1 -30 12 12 o 31.47285 14.25016 -3.892664      164.6217 18.11288       174.1757 -188.1317      503.9790 33.06791 14.84254 41.55450 20.42453 -8.486584      25.24801 
1 1 1 -30 12 13 o 73.49529 14.73782 589.1377       178.5295 556.6639       191.4799 805.1387       493.8381 69.45467 16.40574 61.08343 26.26051 8.371239       30.96389 
1 1 1 -30 12 14 o 28.62622 13.36981 -65.93765      161.5274 -8.937412      171.9688 -493.0309      470.7307 31.57836 14.40154 36.55701 18.26622 -4.978659      23.26068 
1 1 1 -30 12 15 o 33.02947 14.56565 44.34861       160.3435 162.7218       178.7602 -442.9696      362.7025 40.09832 16.41098 32.88734 16.36875 7.210976       23.17878 
1 1 1 -30 12 16 o 50.57254 17.73943 327.4965       189.4559 327.4965       189.4559 0.000000       0.000000 50.57254 17.73943 ?        ?        0.000000       17.73943 
1 1 1 -29 0  1  o 32.81607 17.48419 143.2645       132.9581 143.2645       132.9581 143.2645       132.9581 32.81607 17.48419 32.81607 17.48419 -0.000000      0.000000 
1 1 1 -29 0  2  o 43.66328 18.62364 243.8206       141.4362 243.8206       141.4362 243.8206       141.4362 43.66328 18.62364 43.66328 18.62364 -0.000000      0.000000 
1 1 1 -29 0  3  o 190.9331 8.566421 3177.798       278.0275 3177.798       278.0275 3177.798       278.0275 190.9331 8.566421 190.9331 8.566421 0.000000       0.000000 
1 1 1 -29 0  4  o 37.84101 19.50331 193.3943       161.3404 193.3943       161.3404 193.3943       161.3404 37.84101 19.50331 37.84101 19.50331 -0.000000      0.000000 
1 1 1 -29 0  5  o 151.2672 9.777161 2012.365       250.1371 2012.365       250.1371 2012.365       250.1371 151.2672 9.777161 151.2672 9.777161 0.000000       0.000000 
1 1 1 -29 0  6  o ?        ?        -1255.156      232.7803 -1255.156      232.7803 -1255.156      232.7803 ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 -29 0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  11 o 159.6692 13.23999 2286.081       355.2920 2286.081       355.2920 2286.081       355.2920 159.6692 13.23999 159.6692 13.23999 0.000000       0.000000 
1 1 1 -29 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  26 o 47.97820 26.04801 393.0678       300.3523 393.0678       300.3523 393.0678       300.3523 47.97820 26.04801 47.97820 26.04801 0.000000       0.000000 
1 1 1 -29 0  27 o 126.2550 15.22157 1566.386       315.5351 1566.386       315.5351 1566.386       315.5351 126.2550 15.22157 126.2550 15.22157 -0.000000      0.000000 
1 1 1 -29 0  28 o 26.09418 18.34293 -186.7464      316.4399 -186.7464      316.4399 -186.7464      316.4399 26.09418 18.34293 26.09418 18.34293 0.000000       0.000000 
1 1 1 -29 0  29 o 89.33400 22.24219 961.2620       293.6034 961.2620       293.6034 961.2620       293.6034 89.33400 22.24219 89.33400 22.24219 0.000000       0.000000 
1 1 1 -29 0  30 o 27.26856 18.44129 9.148681       252.5750 9.148681       252.5750 9.148681       252.5750 27.26856 18.44129 27.26856 18.44129 -0.000000      0.000000 
1 1 1 -29 0  31 o 31.75007 20.90169 136.1916       288.5864 136.1916       288.5864 136.1916       288.5864 31.75007 20.90169 31.75007 20.90169 -0.000000      0.000000 
1 1 1 -29 0  32 o 61.73779 23.69841 592.5098       236.2560 592.5098       236.2560 592.5098       236.2560 61.73779 23.69841 61.73779 23.69841 0.000000       0.000000 
1 1 1 -29 1  1  o 61.67386 9.851757 346.1632       100.2650 299.4162       137.6704 398.9663       146.3166 55.65464 14.38210 64.67204 13.67613 -9.017391      19.84645 
1 1 1 -29 1  2  o 76.13918 9.093029 519.0427       115.8886 574.1591       148.5381 433.3032       185.2627 79.18533 11.30577 66.27161 16.44775 12.91373       19.95868 
1 1 1 -29 1  3  o 72.54624 9.534083 473.1697       115.2520 456.6299       149.4473 497.4419       181.0413 69.81212 13.01469 71.86887 15.22495 -2.056747      20.02951 
1 1 1 -29 1  4  o 29.72390 12.53561 19.10450       108.8494 -84.48256      138.6012 185.8122       175.8296 27.74056 12.75465 46.67945 17.00438 -18.93890      21.25629 
1 1 1 -29 1  5  o 23.03427 10.86553 -113.9341      111.3622 -259.9420      140.4518 133.2581       182.7496 22.22781 10.89617 43.58395 17.00301 -21.35614      20.19477 
1 1 1 -29 1  6  o 23.06911 11.24929 -244.8642      144.0335 -31.41469      174.7506 -697.0801      254.3572 34.05814 15.10301 25.90599 13.01278 8.152142       19.93573 
1 1 1 -29 1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  11 o 182.4493 13.62255 3042.024       421.3654 3042.024       421.3654 0.000000       0.000000 182.4493 13.62255 ?        ?        0.000000       13.62255 
1 1 1 -29 1  12 o 50.84722 22.17444 59.80339       362.4325 59.80339       362.4325 0.000000       0.000000 50.84722 22.17444 ?        ?        0.000000       22.17444 
1 1 1 -29 1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 1  25 o 84.63884 21.88746 874.0734       318.7030 0.000000       0.000000 874.0734       318.7030 ?        ?        84.63884 21.88746 0.000000       21.88746 
1 1 1 -29 1  26 o 83.20947 23.81241 934.6254       355.5052 0.000000       0.000000 934.6254       355.5052 ?        ?        83.20947 23.81241 0.000000       23.81241 
1 1 1 -29 1  27 o 31.52640 14.69469 -73.67068      193.5736 -306.8187      288.1784 118.0137       261.2997 32.26000 15.77019 42.03062 18.56151 -9.770615      24.35628 
1 1 1 -29 1  28 o 40.72709 18.98414 46.26274       323.1411 0.000000       0.000000 46.26274       323.1411 ?        ?        40.72709 18.98414 0.000000       18.98414 
1 1 1 -29 1  29 o 32.87683 15.15950 -8.344845      197.7339 -86.78996      310.7772 45.01112       256.3054 36.14327 17.35410 37.36438 17.23941 -1.221111      24.46144 
1 1 1 -29 1  30 o 55.24134 18.34050 419.1633       201.9985 559.2347       269.5784 239.8239       305.0339 59.03165 21.11477 43.57742 19.59433 15.45424       28.80575 
1 1 1 -29 1  31 o 39.98506 17.80431 183.2813       245.3248 183.2813       245.3248 0.000000       0.000000 39.98506 17.80431 ?        ?        0.000000       17.80431 
1 1 1 -29 1  32 o 32.83613 15.06915 55.86682       192.2289 152.9271       276.5055 -34.92465      267.4271 37.83297 17.61027 32.98135 15.90242 4.851620       23.72780 
1 1 1 -29 2  1  o 58.51931 10.26486 314.2028       98.83727 274.9498       131.8845 364.4939       149.2803 53.34965 14.21862 61.35532 14.48085 -8.005665      20.29444 
1 1 1 -29 2  2  o 27.95989 11.88881 11.71186       99.22990 39.56093       123.3489 -39.36826      167.0537 32.54879 13.50753 32.66628 14.60788 -0.1174965     19.89582 
1 1 1 -29 2  3  o 48.53954 13.41247 223.4462       114.8695 198.7759       134.8482 288.6939       219.3012 46.23666 14.96584 54.93972 19.09603 -8.703064      24.26180 
1 1 1 -29 2  4  o 42.31305 13.50673 163.6076       110.1263 135.0980       135.5561 218.9498       188.8651 40.79020 14.91961 49.46487 17.67545 -8.674667      23.13042 
1 1 1 -29 2  5  o 61.43832 11.99135 350.2357       121.2927 420.4984       149.1937 213.2649       208.3064 66.82370 13.53819 49.89502 18.45438 16.92868       22.88770 
1 1 1 -29 2  6  o 54.60437 14.66458 284.6721       139.6350 279.8361       154.2692 306.5949       328.4632 54.02970 15.75201 59.13937 22.87181 -5.109673      27.77131 
1 1 1 -29 2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  13 o 55.72943 21.64482 258.1328       295.1380 258.1328       295.1380 0.000000       0.000000 55.72943 21.64482 ?        ?        0.000000       21.64482 
1 1 1 -29 2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 2  24 o 49.17560 20.91726 203.6803       307.3635 0.000000       0.000000 203.6803       307.3635 ?        ?        49.17560 20.91726 0.000000       20.91726 
1 1 1 -29 2  25 o 41.27097 18.70338 25.52179       284.3251 0.000000       0.000000 25.52179       284.3251 ?        ?        41.27097 18.70338 0.000000       18.70338 
1 1 1 -29 2  26 o 55.39073 21.14235 385.1306       278.1506 0.000000       0.000000 385.1306       278.1506 ?        ?        55.39073 21.14235 0.000000       21.14235 
1 1 1 -29 2  27 o 61.53955 21.56194 524.3941       279.8632 0.000000       0.000000 524.3941       279.8632 ?        ?        61.53955 21.56194 0.000000       21.56194 
1 1 1 -29 2  28 o 35.50166 16.08296 30.72765       210.0158 42.13010       278.6723 15.73809       319.5133 38.87270 17.94953 39.59554 18.59235 -0.7228394     25.84301 
1 1 1 -29 2  29 o 65.37852 17.69391 538.0485       202.3588 516.7548       329.6971 550.9185       256.3181 54.72633 22.32979 60.94803 20.66310 -6.221699      30.42340 
1 1 1 -29 2  30 o 39.80552 17.12421 168.3072       210.2388 -170.7873      312.3705 449.1146       284.2589 33.80456 16.50232 52.04133 20.91380 -18.23677      26.64046 
1 1 1 -29 2  31 o 43.95566 17.09700 263.4216       184.3522 525.2739       312.8398 124.1163       228.1801 52.01125 21.54185 37.31215 16.84611 14.69911       27.34671 
1 1 1 -29 2  32 o 62.93311 22.31822 784.0709       300.5689 784.0709       300.5689 0.000000       0.000000 62.93311 22.31822 ?        ?        0.000000       22.31822 
1 1 1 -29 3  1  o 46.36377 12.37191 203.9234       99.77231 47.62324       121.8105 522.5397       173.9158 32.82803 13.50404 73.71403 14.33228 -40.88600      19.69197 
1 1 1 -29 3  2  o 52.71852 11.93153 261.4922       104.9096 270.0860       128.2779 244.1347       182.3062 52.96743 13.97831 50.77034 17.42433 2.197086       22.33832 
1 1 1 -29 3  3  f 68.26775 10.00014 422.8725       113.1234 381.8456       138.4413 505.3046       196.2363 63.49950 13.19789 71.63098 16.39669 -8.131485      21.04841 
1 1 1 -29 3  4  o 73.36759 10.34957 488.3472       126.0650 490.2635       145.2792 482.5060       253.6447 72.75771 12.11923 68.29534 20.27724 4.462372       23.62292 
1 1 1 -29 3  5  o 116.4682 7.666407 1190.644       151.6235 1139.036       178.8333 1322.596       285.9532 113.1650 9.337485 118.9189 14.37292 -5.753868      17.13970 
1 1 1 -29 3  6  o 42.95033 14.51171 164.2339       126.4186 179.8127       141.5254 102.7247       281.2143 44.87908 15.35338 47.69031 20.13274 -2.811234      25.31903 
1 1 1 -29 3  7  o 130.5120 8.120584 1496.351       180.0868 1473.481       202.6429 1582.269       392.7668 128.9658 9.263128 127.1252 18.64687 1.840561       20.82094 
1 1 1 -29 3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 3  23 o 41.69991 19.09628 -25.88260      306.4566 0.000000       0.000000 -25.88260      306.4566 ?        ?        41.69991 19.09628 0.000000       19.09628 
1 1 1 -29 3  24 o 62.63688 22.22327 489.4051       298.0494 0.000000       0.000000 489.4051       298.0494 ?        ?        62.63688 22.22327 0.000000       22.22327 
1 1 1 -29 3  25 o 45.39923 20.45570 101.2920       334.4552 0.000000       0.000000 101.2920       334.4552 ?        ?        45.39923 20.45570 0.000000       20.45570 
1 1 1 -29 3  26 f 64.05937 21.70964 548.4910       282.9385 0.000000       0.000000 548.4910       282.9385 ?        ?        64.05937 21.70964 0.000000       21.70964 
1 1 1 -29 3  27 o 67.34581 21.59475 629.8474       281.2629 0.000000       0.000000 629.8474       281.2629 ?        ?        67.34581 21.59475 0.000000       21.59475 
1 1 1 -29 3  28 o 33.05375 15.39420 -36.90337      211.7614 -98.88387      293.0891 30.79025       306.2993 35.57589 17.02091 39.19275 18.33936 -3.616859      25.02086 
1 1 1 -29 3  29 o 56.70406 17.25975 409.3753       182.0970 330.9131       275.7789 470.0297       242.4723 47.71551 20.02912 56.38429 20.04025 -8.668785      28.33333 
1 1 1 -29 3  30 o 33.77370 14.90381 69.90974       168.1512 228.2352       254.5263 -52.70774      223.9925 42.57071 18.57333 32.22643 15.26427 10.34428       24.04093 
1 1 1 -29 3  31 o 97.53419 12.47668 1030.600       203.0431 1363.562       285.9093 691.8126       288.3995 104.5852 16.56032 61.61567 21.86060 42.96948       27.42499 
1 1 1 -29 3  32 f 48.22803 16.54208 330.7359       164.3002 351.1032       252.2249 315.7233       216.5460 44.55466 18.94998 44.14484 18.06417 0.4098129      26.18045 
1 1 1 -29 4  1  f 72.66108 9.422376 477.9560       114.1606 515.1439       131.9336 367.1473       227.7411 74.93311 10.60678 59.47870 19.46104 15.45440       22.16385 
1 1 1 -29 4  2  o 141.8186 6.214093 1749.055       150.4918 1523.430       191.8617 2109.844       242.6169 131.0063 8.624414 153.8063 9.280776 -22.80002      12.66939 
1 1 1 -29 4  3  o 71.30116 10.06847 461.8368       119.1809 336.4684       135.0119 904.3530       253.6546 59.25760 13.62664 96.58376 15.93510 -37.32616      20.96694 
1 1 1 -29 4  4  o 62.59982 11.64378 364.1685       119.8901 331.0157       134.4184 493.1444       265.1266 58.83142 13.64452 68.48218 20.82204 -9.650761      24.89438 
1 1 1 -29 4  5  f 43.38839 14.28981 171.9927       122.7154 244.6389       131.6191 -311.1049      339.4142 50.52277 14.49818 38.71883 18.46697 11.80395       23.47821 
1 1 1 -29 4  6  o 98.59599 10.11392 873.3203       167.8758 1010.923       188.7887 353.4087       366.9671 105.9051 10.58056 61.52831 24.06896 44.37679       26.29188 
1 1 1 -29 4  7  o 52.78660 16.78610 267.3350       170.2183 267.3350       170.2183 0.000000       0.000000 52.78660 16.78610 ?        ?        0.000000       16.78610 
1 1 1 -29 4  8  o 113.4214 9.640258 1146.296       184.9477 1146.296       184.9477 0.000000       0.000000 113.4214 9.640258 ?        ?        0.000000       9.640258 
1 1 1 -29 4  9  o 76.18264 13.21003 541.7524       165.6257 541.7524       165.6257 0.000000       0.000000 76.18264 13.21003 ?        ?        0.000000       13.21003 
1 1 1 -29 4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  17 o 28.05839 14.28276 -1311.586      376.2432 -1311.586      376.2432 0.000000       0.000000 28.05839 14.28276 ?        ?        0.000000       14.28276 
1 1 1 -29 4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 4  22 o 40.95623 18.86087 -54.94040      304.7143 0.000000       0.000000 -54.94040      304.7143 ?        ?        40.95623 18.86087 0.000000       18.86087 
1 1 1 -29 4  23 o 96.09776 22.93779 1121.888       371.1934 0.000000       0.000000 1121.888       371.1934 ?        ?        96.09776 22.93779 0.000000       22.93779 
1 1 1 -29 4  24 f 36.78937 17.23355 -105.1090      271.7428 0.000000       0.000000 -105.1090      271.7428 ?        ?        36.78937 17.23355 0.000000       17.23355 
1 1 1 -29 4  25 o 99.48482 18.28665 1109.042       299.2174 0.000000       0.000000 1109.042       299.2174 ?        ?        99.48482 18.28665 0.000000       18.28665 
1 1 1 -29 4  26 o 42.27310 18.83521 113.3602       275.0326 0.000000       0.000000 113.3602       275.0326 ?        ?        42.27310 18.83521 0.000000       18.83521 
1 1 1 -29 4  27 o 78.99602 23.31675 925.1470       336.1752 0.000000       0.000000 925.1470       336.1752 ?        ?        78.99602 23.31675 0.000000       23.31675 
1 1 1 -29 4  28 f 58.73827 22.20117 563.0936       304.8218 0.000000       0.000000 563.0936       304.8218 ?        ?        58.73827 22.20117 0.000000       22.20117 
1 1 1 -29 4  29 o 51.09940 17.49355 343.3044       183.7323 20.07612       287.0594 567.6087       239.1310 37.15435 17.50133 62.77848 19.88879 -25.62413      26.49265 
1 1 1 -29 4  30 o 72.94729 15.93572 642.9917       192.9567 543.5654       328.4715 695.3807       238.4334 52.93174 22.01059 70.26166 19.28634 -17.32992      29.26481 
1 1 1 -29 4  31 o 60.63923 16.83678 493.7515       180.5402 227.3667       309.0127 631.8051       222.4566 40.45738 18.75849 65.39826 18.87228 -24.94088      26.60909 
1 1 1 -29 5  1  o 81.53693 8.664370 597.0891       118.7920 595.8554       148.0566 599.3185       199.0269 80.23071 11.10419 77.75842 15.53220 2.472290       19.09325 
1 1 1 -29 5  2  o 67.01707 10.75777 414.7305       118.9497 372.4405       134.9243 562.2724       252.0166 62.36802 13.08593 72.67265 19.77855 -10.30463      23.71566 
1 1 1 -29 5  3  o 54.95696 12.31092 286.3957       112.6673 376.6174       124.6081 -117.8274      263.7553 63.37817 11.95172 37.82085 17.46338 25.55732       21.16160 
1 1 1 -29 5  4  o 80.56583 9.597011 585.3380       129.4368 558.6365       139.3441 753.3334       349.5175 78.18270 10.71921 81.86859 23.66456 -3.685890      25.97909 
1 1 1 -29 5  5  o 84.95908 9.155124 646.6152       130.7259 647.2431       145.2634 643.9409       299.7963 84.49812 10.27891 77.21301 21.78804 7.285110       24.09097 
1 1 1 -29 5  6  o 34.51844 13.81632 67.76565       123.5173 67.76565       123.5173 0.000000       0.000000 34.51844 13.81632 ?        ?        0.000000       13.81632 
1 1 1 -29 5  7  o 22.56554 10.82182 -156.1340      120.0505 -156.1340      120.0505 0.000000       0.000000 22.56554 10.82182 ?        ?        0.000000       10.82182 
1 1 1 -29 5  8  o 34.00414 13.99072 50.25234       130.7820 50.25234       130.7820 0.000000       0.000000 34.00414 13.99072 ?        ?        0.000000       13.99072 
1 1 1 -29 5  9  o 95.04929 12.02787 829.3572       190.8578 829.3572       190.8578 0.000000       0.000000 95.04929 12.02787 ?        ?        0.000000       12.02787 
1 1 1 -29 5  10 o 32.36123 13.91870 10.33696       138.8423 10.33696       138.8423 0.000000       0.000000 32.36123 13.91870 ?        ?        0.000000       13.91870 
1 1 1 -29 5  11 o 38.46193 15.14004 96.70143       145.9885 96.70143       145.9885 0.000000       0.000000 38.46193 15.14004 ?        ?        0.000000       15.14004 
1 1 1 -29 5  12 o 28.17294 13.34396 -170.8559      171.1570 -170.8559      171.1570 0.000000       0.000000 28.17294 13.34396 ?        ?        0.000000       13.34396 
1 1 1 -29 5  13 o 111.2775 13.69809 1157.633       254.8011 1157.633       254.8011 0.000000       0.000000 111.2775 13.69809 ?        ?        0.000000       13.69809 
1 1 1 -29 5  14 o 45.81316 17.55006 168.4473       192.0924 168.4473       192.0924 0.000000       0.000000 45.81316 17.55006 ?        ?        0.000000       17.55006 
1 1 1 -29 5  15 o 93.93082 14.14913 837.0166       219.9130 837.0166       219.9130 0.000000       0.000000 93.93082 14.14913 ?        ?        0.000000       14.14913 
1 1 1 -29 5  16 o 38.37989 17.65379 -104.5187      265.9021 -104.5187      265.9021 0.000000       0.000000 38.37989 17.65379 ?        ?        0.000000       17.65379 
1 1 1 -29 5  17 o 70.35717 21.59549 544.2219       284.3161 544.2219       284.3161 0.000000       0.000000 70.35717 21.59549 ?        ?        0.000000       21.59549 
1 1 1 -29 5  18 o 99.60928 22.45808 1104.608       372.8862 1104.608       372.8862 0.000000       0.000000 99.60928 22.45808 ?        ?        0.000000       22.45808 
1 1 1 -29 5  19 o 116.2626 20.30745 1447.541       388.5054 1447.541       388.5054 0.000000       0.000000 116.2626 20.30745 ?        ?        0.000000       20.30745 
1 1 1 -29 5  20 o 89.46220 22.48536 927.6429       343.1165 0.000000       0.000000 927.6429       343.1165 ?        ?        89.46220 22.48536 0.000000       22.48536 
1 1 1 -29 5  21 o 46.26265 20.26698 107.3556       305.8340 0.000000       0.000000 107.3556       305.8340 ?        ?        46.26265 20.26698 0.000000       20.26698 
1 1 1 -29 5  22 o 202.6625 11.75920 3871.352       405.2116 0.000000       0.000000 3871.352       405.2116 ?        ?        202.6625 11.75920 0.000000       11.75920 
1 1 1 -29 5  23 o 89.64120 19.81029 915.6065       295.1760 0.000000       0.000000 915.6065       295.1760 ?        ?        89.64120 19.81029 0.000000       19.81029 
1 1 1 -29 5  24 o 39.87494 18.17524 10.59259       273.4232 0.000000       0.000000 10.59259       273.4232 ?        ?        39.87494 18.17524 0.000000       18.17524 
1 1 1 -29 5  25 o 33.18653 16.36127 -409.3196      331.6536 0.000000       0.000000 -409.3196      331.6536 ?        ?        33.18653 16.36127 0.000000       16.36127 
1 1 1 -29 5  26 o 41.91191 19.25878 82.16492       315.3508 0.000000       0.000000 82.16492       315.3508 ?        ?        41.91191 19.25878 0.000000       19.25878 
1 1 1 -29 5  27 o 45.28593 19.97484 235.9334       301.7065 0.000000       0.000000 235.9334       301.7065 ?        ?        45.28593 19.97484 0.000000       19.97484 
1 1 1 -29 5  28 o 36.03482 16.56326 38.70012       233.4958 0.000000       0.000000 38.70012       233.4958 ?        ?        36.03482 16.56326 0.000000       16.56326 
1 1 1 -29 5  29 o 45.54977 18.62440 287.3812       229.9588 0.000000       0.000000 287.3812       229.9588 ?        ?        45.54977 18.62440 0.000000       18.62440 
1 1 1 -29 5  30 o 46.84404 17.39222 310.2104       185.3678 24.11541       335.7012 435.7060       222.3371 36.99531 17.83257 52.79642 19.13840 -15.80111      26.15872 
1 1 1 -29 5  31 o 35.55300 15.14535 138.0349       161.5769 -120.5322      254.3302 313.0219       209.2253 30.64310 14.94387 44.60025 17.93579 -13.95715      23.34549 
1 1 1 -29 6  1  o 125.4267 7.234500 1390.423       154.2955 1401.698       201.1618 1374.310       240.4777 124.3993 9.542193 121.4194 11.74477 2.979881       15.13251 
1 1 1 -29 6  2  o 38.46612 13.72899 128.9012       113.9110 117.3274       126.0757 180.3437       265.7996 38.10634 14.30476 48.63583 19.97046 -10.52950      24.56512 
1 1 1 -29 6  3  o 41.82354 13.72248 162.9923       113.2043 225.4592       129.2847 -42.30702      234.3774 48.12480 14.51965 37.81812 17.07406 10.30669       22.41302 
1 1 1 -29 6  4  o 73.63111 10.05972 494.3825       123.1787 431.5365       131.1560 964.3704       358.6681 67.95811 11.72539 93.15193 22.74495 -25.19382      25.58940 
1 1 1 -29 6  5  o 155.8666 8.080116 2146.886       214.3284 2146.886       214.3284 0.000000       0.000000 155.8666 8.080116 ?        ?        0.000000       8.080116 
1 1 1 -29 6  6  o 49.22583 14.05939 233.7338       124.0545 233.7338       124.0545 0.000000       0.000000 49.22583 14.05939 ?        ?        0.000000       14.05939 
1 1 1 -29 6  7  o 31.18044 13.08096 29.72303       117.5218 29.72303       117.5218 0.000000       0.000000 31.18044 13.08096 ?        ?        0.000000       13.08096 
1 1 1 -29 6  8  o 57.60188 13.81105 319.6835       134.0927 319.6835       134.0927 0.000000       0.000000 57.60188 13.81105 ?        ?        0.000000       13.81105 
1 1 1 -29 6  9  o 44.21596 14.79104 180.2640       131.3193 180.2640       131.3193 0.000000       0.000000 44.21596 14.79104 ?        ?        0.000000       14.79104 
1 1 1 -29 6  10 o 24.24635 11.43630 -120.1967      123.3208 -120.1967      123.3208 0.000000       0.000000 24.24635 11.43630 ?        ?        0.000000       11.43630 
1 1 1 -29 6  11 o 66.26070 13.48896 418.7304       147.4400 418.7304       147.4400 0.000000       0.000000 66.26070 13.48896 ?        ?        0.000000       13.48896 
1 1 1 -29 6  12 o 26.17224 12.18229 -99.55641      132.3124 -99.55641      132.3124 0.000000       0.000000 26.17224 12.18229 ?        ?        0.000000       12.18229 
1 1 1 -29 6  13 o 75.12621 12.80737 531.3438       158.4135 531.3438       158.4135 0.000000       0.000000 75.12621 12.80737 ?        ?        0.000000       12.80737 
1 1 1 -29 6  14 f 59.60500 16.78405 357.9738       178.0974 357.9738       178.0974 0.000000       0.000000 59.60500 16.78405 ?        ?        0.000000       16.78405 
1 1 1 -29 6  15 f 48.84455 18.62367 209.6188       215.6812 209.6188       215.6812 0.000000       0.000000 48.84455 18.62367 ?        ?        0.000000       18.62367 
1 1 1 -29 6  16 o 135.7871 11.20879 1690.665       257.5846 1690.665       257.5846 0.000000       0.000000 135.7871 11.20879 ?        ?        0.000000       11.20879 
1 1 1 -29 6  17 o 58.61514 19.29969 363.0526       223.8501 363.0526       223.8501 0.000000       0.000000 58.61514 19.29969 ?        ?        0.000000       19.29969 
1 1 1 -29 6  18 o 78.69318 21.72329 705.3122       301.4987 705.3122       301.4987 0.000000       0.000000 78.69318 21.72329 ?        ?        0.000000       21.72329 
1 1 1 -29 6  19 o 42.42900 17.52272 119.5453       206.1399 -52.66665      269.9958 360.2336       319.1927 39.29825 17.96995 57.67130 22.47877 -18.37305      28.77871 
1 1 1 -29 6  20 o 66.82161 19.31748 497.8408       232.8892 345.1894       355.9612 612.0853       307.9427 56.63301 23.16571 71.02753 22.57687 -14.39452      32.34757 
1 1 1 -29 6  21 o 94.38178 15.12891 898.8829       235.5992 1263.648       376.4926 664.1067       302.0485 104.0474 21.88338 73.78763 22.17773 30.25980       31.15660 
1 1 1 -29 6  22 o 81.43625 15.71253 688.2370       210.5905 955.9628       311.7725 463.5945       285.5872 90.72357 20.59495 61.28075 21.75247 29.44282       29.95533 
1 1 1 -29 6  23 o 66.95210 22.22214 585.4728       296.5576 0.000000       0.000000 585.4728       296.5576 ?        ?        66.95210 22.22214 0.000000       22.22214 
1 1 1 -29 6  24 o 35.95124 16.97780 -106.0660      273.2938 0.000000       0.000000 -106.0660      273.2938 ?        ?        35.95124 16.97780 0.000000       16.97780 
1 1 1 -29 6  25 o 73.40325 20.81127 707.6207       272.8489 0.000000       0.000000 707.6207       272.8489 ?        ?        73.40325 20.81127 0.000000       20.81127 
1 1 1 -29 6  26 o 47.10789 19.30628 277.5726       247.8250 0.000000       0.000000 277.5726       247.8250 ?        ?        47.10789 19.30628 0.000000       19.30628 
1 1 1 -29 6  27 o 42.88272 18.34153 207.4978       238.7027 0.000000       0.000000 207.4978       238.7027 ?        ?        42.88272 18.34153 0.000000       18.34153 
1 1 1 -29 6  28 o 36.99538 16.74441 82.83376       227.0502 0.000000       0.000000 82.83376       227.0502 ?        ?        36.99538 16.74441 0.000000       16.74441 
1 1 1 -29 6  29 o 43.34917 18.09631 260.1943       223.2667 0.000000       0.000000 260.1943       223.2667 ?        ?        43.34917 18.09631 0.000000       18.09631 
1 1 1 -29 6  30 o 43.42503 17.03482 269.4392       184.2193 -14.29259      351.5654 376.8313       216.2909 35.89022 17.51752 48.48145 18.61073 -12.59123      25.55822 
1 1 1 -29 7  1  o 102.6022 8.383496 946.2225       145.6038 1206.139       181.9993 484.0723       242.6858 115.2476 9.327740 65.63567 19.91350 49.61192       21.98987 
1 1 1 -29 7  2  o 81.88420 9.518384 612.3383       130.6128 620.2787       145.2695 578.8378       298.3871 81.76992 10.65677 70.09136 22.21793 11.67856       24.64149 
1 1 1 -29 7  3  o 133.0686 7.796125 1572.540       176.3831 1519.738       208.5146 1705.370       330.7159 129.6202 9.486129 132.1642 14.91428 -2.543991      17.67547 
1 1 1 -29 7  4  o 130.9891 8.529146 1532.499       189.7439 1532.499       189.7439 0.000000       0.000000 130.9891 8.529146 ?        ?        0.000000       8.529146 
1 1 1 -29 7  5  o 117.2599 9.768655 1243.125       193.8282 1243.125       193.8282 0.000000       0.000000 117.2599 9.768655 ?        ?        0.000000       9.768655 
1 1 1 -29 7  6  o 52.77617 13.41316 270.0140       121.1391 270.0140       121.1391 0.000000       0.000000 52.77617 13.41316 ?        ?        0.000000       13.41316 
1 1 1 -29 7  7  f 59.93578 12.90826 343.9247       128.2122 343.9247       128.2122 0.000000       0.000000 59.93578 12.90826 ?        ?        0.000000       12.90826 
1 1 1 -29 7  8  o 70.30495 11.69587 461.4597       135.4840 461.4597       135.4840 0.000000       0.000000 70.30495 11.69587 ?        ?        0.000000       11.69587 
1 1 1 -29 7  9  o 79.69729 10.75323 583.2292       142.6109 583.2292       142.6109 0.000000       0.000000 79.69729 10.75323 ?        ?        0.000000       10.75323 
1 1 1 -29 7  10 o 32.26404 14.11737 -2.690361      147.9980 -2.690361      147.9980 0.000000       0.000000 32.26404 14.11737 ?        ?        0.000000       14.11737 
1 1 1 -29 7  11 o 43.79185 14.72637 178.5091       130.1803 178.5091       130.1803 0.000000       0.000000 43.79185 14.72637 ?        ?        0.000000       14.72637 
1 1 1 -29 7  12 o 37.33223 15.36554 72.82396       157.8179 72.82396       157.8179 0.000000       0.000000 37.33223 15.36554 ?        ?        0.000000       15.36554 
1 1 1 -29 7  13 o 43.68874 15.07849 176.3528       136.6158 176.3528       136.6158 0.000000       0.000000 43.68874 15.07849 ?        ?        0.000000       15.07849 
1 1 1 -29 7  14 o 44.01128 17.41570 148.8627       194.1205 148.8627       194.1205 0.000000       0.000000 44.01128 17.41570 ?        ?        0.000000       17.41570 
1 1 1 -29 7  15 o 94.35532 14.16689 859.7045       221.2164 859.7045       221.2164 0.000000       0.000000 94.35532 14.16689 ?        ?        0.000000       14.16689 
1 1 1 -29 7  16 o 40.25093 16.72361 92.24660       189.3991 92.24660       189.3991 0.000000       0.000000 40.25093 16.72361 ?        ?        0.000000       16.72361 
1 1 1 -29 7  17 o 104.9151 12.94756 1049.592       227.0469 1049.592       227.0469 0.000000       0.000000 104.9151 12.94756 ?        ?        0.000000       12.94756 
1 1 1 -29 7  18 o 42.14380 16.46218 146.5291       171.4769 130.1216       205.0370 184.7102       312.7775 42.76507 17.54755 49.53625 21.08638 -6.771179      27.43268 
1 1 1 -29 7  19 o 62.56831 22.39040 470.6501       303.1692 0.000000       0.000000 470.6501       303.1692 ?        ?        62.56831 22.39040 0.000000       22.39040 
1 1 1 -29 7  20 o 48.80280 18.03550 243.8796       198.8759 -158.1367      277.2146 670.2062       285.4733 36.11848 17.06975 74.96919 21.29846 -38.85072      27.29470 
1 1 1 -29 7  21 o 71.06738 17.55784 554.8094       211.8384 712.3619       271.3311 308.8459       339.0178 77.92375 20.21710 53.21877 22.26486 24.70499       30.07416 
1 1 1 -29 7  22 f 31.07555 15.00776 -236.6396      240.5012 -465.2881      333.6583 10.62081       346.9725 32.92913 16.26737 42.96191 19.90473 -10.03278      25.70653 
1 1 1 -29 7  23 o 44.79060 18.81219 189.6584       243.5128 515.1758       353.9529 -102.8770      335.5424 59.25249 23.49461 39.04124 18.54716 20.21126       29.93316 
1 1 1 -29 7  24 o 33.77745 15.35185 -2.433320      193.3037 167.3080       295.4925 -129.4138      255.5766 44.21302 19.62117 33.75420 16.07853 10.45882       25.36749 
1 1 1 -29 7  25 o 57.76429 20.58036 471.6721       255.8658 0.000000       0.000000 471.6721       255.8658 ?        ?        57.76429 20.58036 0.000000       20.58036 
1 1 1 -29 7  26 o 38.25105 17.22302 89.14108       236.6205 0.000000       0.000000 89.14108       236.6205 ?        ?        38.25105 17.22302 0.000000       17.22302 
1 1 1 -29 7  27 o 24.33847 12.20389 -442.8990      218.8557 0.000000       0.000000 -442.8990      218.8557 ?        ?        24.33847 12.20389 0.000000       12.20389 
1 1 1 -29 7  28 o 49.67294 19.03286 372.4062       225.9545 0.000000       0.000000 372.4062       225.9545 ?        ?        49.67294 19.03286 0.000000       19.03286 
1 1 1 -29 7  29 o 33.34334 15.48522 36.50406       211.8612 0.000000       0.000000 36.50406       211.8612 ?        ?        33.34334 15.48522 0.000000       15.48522 
1 1 1 -29 8  1  o 122.7493 7.197907 1337.814       150.2186 1377.603       180.2716 1247.414       271.7242 123.5701 8.596560 112.2599 14.51417 11.31018       16.86897 
1 1 1 -29 8  2  o 108.4746 9.043864 1068.303       165.9996 1068.303       165.9996 0.000000       0.000000 108.4746 9.043864 ?        ?        0.000000       9.043864 
1 1 1 -29 8  3  o 94.44221 9.755968 817.8799       155.0725 817.8799       155.0725 0.000000       0.000000 94.44221 9.755968 ?        ?        0.000000       9.755968 
1 1 1 -29 8  4  o 124.3339 8.606182 1390.164       181.6028 1390.164       181.6028 0.000000       0.000000 124.3339 8.606182 ?        ?        0.000000       8.606182 
1 1 1 -29 8  5  o 161.5935 8.264326 2331.436       227.2887 2331.436       227.2887 0.000000       0.000000 161.5935 8.264326 ?        ?        0.000000       8.264326 
1 1 1 -29 8  6  o 32.22354 13.41264 44.14272       122.1433 44.14272       122.1433 0.000000       0.000000 32.22354 13.41264 ?        ?        0.000000       13.41264 
1 1 1 -29 8  7  o 29.52352 12.72602 10.16501       116.5775 10.16501       116.5775 0.000000       0.000000 29.52352 12.72602 ?        ?        0.000000       12.72602 
1 1 1 -29 8  8  o 41.68281 15.11792 154.0142       138.7616 154.0142       138.7616 0.000000       0.000000 41.68281 15.11792 ?        ?        0.000000       15.11792 
1 1 1 -29 8  9  o 45.60525 13.97560 201.4640       119.1286 201.4640       119.1286 0.000000       0.000000 45.60525 13.97560 ?        ?        0.000000       13.97560 
1 1 1 -29 8  10 o 42.82853 15.43843 165.1487       144.3860 165.1487       144.3860 0.000000       0.000000 42.82853 15.43843 ?        ?        0.000000       15.43843 
1 1 1 -29 8  11 o 75.46959 11.15743 530.1287       139.4583 530.1287       139.4583 0.000000       0.000000 75.46959 11.15743 ?        ?        0.000000       11.15743 
1 1 1 -29 8  12 o 38.63107 16.11003 76.91991       176.6846 76.91991       176.6846 0.000000       0.000000 38.63107 16.11003 ?        ?        0.000000       16.11003 
1 1 1 -29 8  13 f 106.5202 11.69526 1058.092       209.2364 1058.092       209.2364 0.000000       0.000000 106.5202 11.69526 ?        ?        0.000000       11.69526 
1 1 1 -29 8  14 o 86.38141 16.85944 763.9182       239.7676 763.9182       239.7676 0.000000       0.000000 86.38141 16.85944 ?        ?        0.000000       16.85944 
1 1 1 -29 8  15 o 168.1184 9.738692 2567.337       278.3900 2567.337       278.3900 0.000000       0.000000 168.1184 9.738692 ?        ?        0.000000       9.738692 
1 1 1 -29 8  16 f 34.35354 15.09773 8.825636       170.9144 -125.4753      189.7486 586.3748       393.4898 30.74773 14.40257 67.34959 25.27367 -36.60186      29.08939 
1 1 1 -29 8  17 o 92.02762 21.03087 966.5919       323.2840 0.000000       0.000000 966.5919       323.2840 ?        ?        92.02762 21.03087 0.000000       21.03087 
1 1 1 -29 8  18 o 70.52412 14.29662 500.1323       166.2822 355.6512       200.6589 816.8277       297.0804 56.84540 18.24112 83.92981 20.82678 -27.08441      27.68561 
1 1 1 -29 8  19 o 51.81100 17.49600 290.7466       183.7591 27.30931       240.4730 660.4742       284.8845 39.25592 17.54255 73.67164 21.38491 -34.41572      27.65964 
1 1 1 -29 8  20 o 45.83474 17.77088 210.0639       198.6783 31.67711       244.8411 553.9841       339.9632 39.24802 17.60841 63.57903 23.56373 -24.33101      29.41608 
1 1 1 -29 8  21 o 60.20575 16.95721 407.6593       181.7690 474.9176       212.4742 224.0857       351.0252 63.60144 18.47013 48.82718 21.54080 14.77426       28.37519 
1 1 1 -29 8  22 o 48.41874 17.70140 267.9271       190.7854 93.87884       267.0182 449.4530       272.6939 41.39144 18.49198 57.89554 21.16327 -16.50410      28.10405 
1 1 1 -29 8  23 o 34.49812 15.49584 23.29997       190.2144 320.0959       286.1230 -211.7564      254.6302 49.89996 20.62905 31.69634 15.33997 18.20362       25.70743 
1 1 1 -29 8  24 o 37.85519 16.42674 102.6084       196.8609 -3.833308      329.1582 161.8843       245.6337 39.41011 18.61772 41.93906 18.27328 -2.528950      26.08702 
1 1 1 -29 8  25 o 43.53618 17.64699 221.1254       204.2827 193.2980       286.7245 249.8132       291.1244 43.22175 19.24660 45.29181 19.80934 -2.070057      27.61959 
1 1 1 -29 8  26 o 32.45523 15.28899 -51.59595      219.1483 390.0677       359.9343 -311.7724      276.2557 48.79597 21.65512 30.02794 14.82812 18.76802       26.24533 
1 1 1 -29 8  27 o 44.45541 17.44773 264.6007       193.3488 59.11610       380.6979 336.0279       224.4516 39.42050 18.99867 47.75024 18.78027 -8.329735      26.71419 
1 1 1 -29 8  28 o 54.99287 19.27496 476.7416       223.6532 0.000000       0.000000 476.7416       223.6532 ?        ?        54.99287 19.27496 0.000000       19.27496 
1 1 1 -29 9  1  o 49.43619 13.62345 247.7110       118.6980 274.3795       128.4637 92.04352       310.3705 51.76609 14.13469 44.80360 19.98230 6.962490       24.47615 
1 1 1 -29 9  2  o 53.58219 13.96837 291.0904       129.1204 291.0904       129.1204 0.000000       0.000000 53.58219 13.96837 ?        ?        0.000000       13.96837 
1 1 1 -29 9  3  o 103.9589 9.173092 986.3408       161.1770 986.3408       161.1770 0.000000       0.000000 103.9589 9.173092 ?        ?        0.000000       9.173092 
1 1 1 -29 9  4  o 134.9845 8.378312 1641.543       192.1728 1641.543       192.1728 0.000000       0.000000 134.9845 8.378312 ?        ?        0.000000       8.378312 
1 1 1 -29 9  5  o 48.04472 14.33627 233.0781       126.5537 233.0781       126.5537 0.000000       0.000000 48.04472 14.33627 ?        ?        0.000000       14.33627 
1 1 1 -29 9  6  o 69.02365 12.07196 457.9299       137.1093 457.9299       137.1093 0.000000       0.000000 69.02365 12.07196 ?        ?        0.000000       12.07196 
1 1 1 -29 9  7  o 67.70615 14.32320 458.6938       160.4340 458.6938       160.4340 0.000000       0.000000 67.70615 14.32320 ?        ?        0.000000       14.32320 
1 1 1 -29 9  8  o 29.62318 12.86543 7.568043       120.9584 7.568043       120.9584 0.000000       0.000000 29.62318 12.86543 ?        ?        0.000000       12.86543 
1 1 1 -29 9  9  o 51.71270 13.97058 267.5383       126.2871 267.5383       126.2871 0.000000       0.000000 51.71270 13.97058 ?        ?        0.000000       13.97058 
1 1 1 -29 9  10 o 71.48814 13.28956 498.6715       156.2641 498.6715       156.2641 0.000000       0.000000 71.48814 13.28956 ?        ?        0.000000       13.28956 
1 1 1 -29 9  11 o 91.09109 9.699358 760.1895       148.5554 760.1895       148.5554 0.000000       0.000000 91.09109 9.699358 ?        ?        0.000000       9.699358 
1 1 1 -29 9  12 o 132.6665 8.424180 1581.014       189.8598 1581.014       189.8598 0.000000       0.000000 132.6665 8.424180 ?        ?        0.000000       8.424180 
1 1 1 -29 9  13 o 51.99212 15.99864 279.7748       155.9303 279.7748       155.9303 0.000000       0.000000 51.99212 15.99864 ?        ?        0.000000       15.99864 
1 1 1 -29 9  14 o 102.2334 8.564266 944.7302       148.1375 863.5693       163.3677 1320.140       351.3546 96.73202 10.03601 109.8444 19.44270 -13.11238      21.88013 
1 1 1 -29 9  15 o 45.81469 17.14925 203.5734       180.9479 203.5734       180.9479 0.000000       0.000000 45.81469 17.14925 ?        ?        0.000000       17.14925 
1 1 1 -29 9  16 o 158.1003 8.394430 2256.187       225.8223 2994.622       293.9402 1192.584       352.7708 180.7775 9.555602 101.3345 21.07296 79.44298       23.13826 
1 1 1 -29 9  17 o 67.29097 15.34422 473.3907       172.4095 543.4095       197.1216 245.4726       355.6443 71.19771 16.53056 51.00764 22.10650 20.19006       27.60357 
1 1 1 -29 9  18 o 76.57133 13.13087 584.3786       165.5162 672.6105       202.8337 408.5320       286.3479 80.23035 15.36419 57.13712 21.53666 23.09322       26.45537 
1 1 1 -29 9  19 o 87.01639 13.44224 762.8300       193.3076 745.4802       250.1362 788.5568       304.5948 80.54224 18.56695 78.27905 21.91717 2.263191       28.72445 
1 1 1 -29 9  20 o 35.04587 15.10242 59.69416       164.0927 -27.09377      187.8083 339.7105       337.3470 32.83578 15.00415 51.99074 22.00501 -19.15496      26.63353 
1 1 1 -29 9  21 o 53.48849 16.01870 324.3759       157.7880 330.3656       194.2379 312.7538       270.5657 52.35814 17.98456 50.06511 20.30364 2.293034       27.12346 
1 1 1 -29 9  22 o 23.19600 11.47155 -291.3256      167.4897 -171.2111      229.4285 -428.3845      245.0775 30.86222 14.84235 26.99068 13.43734 3.871538       20.02142 
1 1 1 -29 9  23 o 44.70518 17.35504 233.2225       189.6759 236.7404       246.8216 228.1486       296.4235 45.07945 18.93685 45.18199 19.86913 -0.1025391     27.44789 
1 1 1 -29 9  24 o 40.26065 16.29232 170.1682       173.8136 225.4234       256.0277 122.9307       236.7245 44.05536 18.92326 39.55838 17.55842 4.496979       25.81449 
1 1 1 -29 9  25 o 28.41009 13.41952 -78.89587      170.9146 23.91728       266.5098 -150.7195      222.7525 36.58089 17.11388 29.96395 14.46424 6.616938       22.40757 
1 1 1 -29 9  26 o 37.84421 16.46759 142.0786       198.9362 -111.9114      297.3637 347.8492       267.6525 33.81666 16.41586 46.92480 19.71630 -13.10814      25.65567 
1 1 1 -29 9  27 o 53.86476 17.62838 410.3734       186.8635 84.47355       344.1819 546.5875       222.5138 38.16308 18.30772 60.10783 19.20049 -21.94475      26.52982 
1 1 1 -29 10 1  o 45.59827 13.21947 211.4547       108.9242 162.5868       126.2677 353.5937       215.3463 40.75626 14.46423 55.06758 18.93536 -14.31133      23.82775 
1 1 1 -29 10 2  o 29.96300 12.85682 25.79831       117.9667 25.79831       117.9667 0.000000       0.000000 29.96300 12.85682 ?        ?        0.000000       12.85682 
1 1 1 -29 10 3  o 40.06054 14.28137 153.4248       123.2276 153.4248       123.2276 0.000000       0.000000 40.06054 14.28137 ?        ?        0.000000       14.28137 
1 1 1 -29 10 4  o 36.50951 13.92922 111.4944       120.6993 111.4944       120.6993 0.000000       0.000000 36.50951 13.92922 ?        ?        0.000000       13.92922 
1 1 1 -29 10 5  o 67.33076 12.23049 441.6209       135.4443 441.6209       135.4443 0.000000       0.000000 67.33076 12.23049 ?        ?        0.000000       12.23049 
1 1 1 -29 10 6  o 85.72847 11.82945 705.3006       168.5642 705.3006       168.5642 0.000000       0.000000 85.72847 11.82945 ?        ?        0.000000       11.82945 
1 1 1 -29 10 7  f 25.26327 11.59081 -54.46038      113.6276 -54.46038      113.6276 0.000000       0.000000 25.26327 11.59081 ?        ?        0.000000       11.59081 
1 1 1 -29 10 8  o 42.47122 14.36519 177.9664       123.8799 177.9664       123.8799 0.000000       0.000000 42.47122 14.36519 ?        ?        0.000000       14.36519 
1 1 1 -29 10 9  o 29.20874 13.64167 -100.5618      168.1528 -100.5618      168.1528 0.000000       0.000000 29.20874 13.64167 ?        ?        0.000000       13.64167 
1 1 1 -29 10 10 o 35.00658 15.96643 -37.72947      211.4312 -37.72947      211.4312 0.000000       0.000000 35.00658 15.96643 ?        ?        0.000000       15.96643 
1 1 1 -29 10 11 o 53.04073 16.00407 299.3542       157.0665 299.3542       157.0665 0.000000       0.000000 53.04073 16.00407 ?        ?        0.000000       16.00407 
1 1 1 -29 10 12 o 29.59989 12.63366 25.74538       112.8222 25.74538       112.8222 0.000000       0.000000 29.59989 12.63366 ?        ?        0.000000       12.63366 
1 1 1 -29 10 13 o 52.46162 13.45396 279.4481       121.1073 304.7892       127.3297 39.01932       392.2023 54.70065 13.66960 45.89094 21.22669 8.809711       25.24739 
1 1 1 -29 10 14 o 70.65281 22.81322 657.0526       313.4847 0.000000       0.000000 657.0526       313.4847 ?        ?        70.65281 22.81322 0.000000       22.81322 
1 1 1 -29 10 15 o 35.93095 13.65410 110.7815       115.6901 82.49519       122.3074 351.1729       356.5525 34.11178 13.71488 54.02529 22.73095 -19.91351      26.54796 
1 1 1 -29 10 16 o 42.88103 13.90253 187.8562       116.3312 225.9262       127.7712 3.365799       281.2735 46.43563 14.51428 39.74262 18.23481 6.693008       23.30606 
1 1 1 -29 10 17 o 26.96105 12.38077 -50.54287      130.0390 -117.5360      146.3524 200.7089       283.4258 26.05930 12.34179 46.35107 19.90971 -20.29177      23.42470 
1 1 1 -29 10 18 o 82.88307 13.24944 698.1829       181.2116 507.5782       227.7829 1026.784       299.0811 64.17158 19.25288 92.77485 19.49738 -28.60327      27.40111 
1 1 1 -29 10 19 o 37.70341 15.80099 107.4425       171.1859 222.1464       219.3274 -71.35380      273.8312 45.33950 18.31767 36.35997 17.11685 8.979538       25.07037 
1 1 1 -29 10 20 o 38.18959 16.19310 112.1237       183.2126 151.4374       224.6022 33.94266       316.7323 41.52539 17.77707 40.54185 18.86337 0.9835320      25.92009 
1 1 1 -29 10 21 o 48.83821 15.98312 276.1686       153.6113 357.0170       193.5558 138.5989       252.4828 53.49434 17.95685 41.39092 18.26403 12.10341       25.61295 
1 1 1 -29 10 22 f 97.09298 11.03371 932.7664       179.6922 1069.446       219.4220 654.4432       313.1142 101.5215 12.95179 63.97503 22.76943 37.54644       26.19534 
1 1 1 -29 10 23 o 58.39017 15.19018 394.1146       152.9039 559.6300       198.8103 154.4451       239.2357 67.47899 17.20159 40.49900 17.82888 26.97998       24.77425 
1 1 1 -29 10 24 o 25.93379 12.24342 -78.22112      141.9311 -76.52760      185.6517 -80.60310      220.1776 29.38106 13.91078 31.38383 14.94229 -2.002766      20.41523 
1 1 1 -29 10 25 o 54.97990 16.49075 390.6837       167.1296 258.6378       247.9867 500.5701       226.2236 43.07253 18.56362 57.48635 19.41258 -14.41383      26.85994 
1 1 1 -29 11 3  o 58.94974 13.50826 356.8214       133.0689 356.8214       133.0689 0.000000       0.000000 58.94974 13.50826 ?        ?        0.000000       13.50826 
1 1 1 -29 11 4  o 30.71763 13.02048 39.59778       118.3906 39.59778       118.3906 0.000000       0.000000 30.71763 13.02048 ?        ?        0.000000       13.02048 
1 1 1 -29 11 5  o 89.85152 9.936045 757.2082       149.9033 757.2082       149.9033 0.000000       0.000000 89.85152 9.936045 ?        ?        0.000000       9.936045 
1 1 1 -29 11 6  f 69.82003 11.86188 476.2280       136.3681 476.2280       136.3681 0.000000       0.000000 69.82003 11.86188 ?        ?        0.000000       11.86188 
1 1 1 -29 11 7  o 55.77301 14.53150 325.3376       139.7913 325.3376       139.7913 0.000000       0.000000 55.77301 14.53150 ?        ?        0.000000       14.53150 
1 1 1 -29 11 8  o 42.11676 16.46981 163.4558       171.7814 163.4558       171.7814 0.000000       0.000000 42.11676 16.46981 ?        ?        0.000000       16.46981 
1 1 1 -29 11 9  o 77.27003 14.73832 616.8618       187.3767 616.8618       187.3767 0.000000       0.000000 77.27003 14.73832 ?        ?        0.000000       14.73832 
1 1 1 -29 11 10 o 54.76622 18.90694 350.3947       214.8039 350.3947       214.8039 0.000000       0.000000 54.76622 18.90694 ?        ?        0.000000       18.90694 
1 1 1 -29 11 11 o 82.39864 15.53694 716.2043       210.6012 718.7405       228.2608 701.6901       546.0574 80.96095 17.04901 63.24330 27.40093 17.71765       32.27196 
1 1 1 -29 11 12 o 46.31107 20.29726 174.9166       307.0523 0.000000       0.000000 174.9166       307.0523 ?        ?        46.31107 20.29726 0.000000       20.29726 
1 1 1 -29 11 13 f 40.63407 15.63056 156.1711       152.7623 51.68126       178.7207 439.5490       294.3207 35.78934 15.59054 57.63633 21.80801 -21.84698      26.80773 
1 1 1 -29 11 14 o 69.56295 10.54484 464.3026       121.3352 383.7061       129.1612 1069.567       353.9539 61.63775 12.69381 89.76914 22.98920 -28.13139      26.26093 
1 1 1 -29 11 15 o 43.42479 13.39069 195.1895       109.1714 181.8324       118.8825 267.0729       275.7882 41.96967 14.07305 48.68570 20.20027 -6.716034      24.61914 
1 1 1 -29 11 16 f 40.34021 13.74125 166.2151       113.3602 174.6044       119.5694 91.67558       356.4111 41.15086 14.11192 44.02174 20.31737 -2.870880      24.73745 
1 1 1 -29 11 17 o 38.06178 14.42277 138.6632       128.8517 187.9793       145.2512 -43.48523      279.1501 42.27812 15.44695 37.32914 17.48017 4.948978       23.32734 
1 1 1 -29 11 18 o 28.37877 12.68887 -5.076787      126.0005 -145.9848      143.0304 483.2016       266.2529 24.49664 11.76496 58.95865 20.99522 -34.46201      24.06685 
1 1 1 -29 11 19 o 29.15611 12.90419 10.68785       126.9713 27.81316       147.2229 -39.03205      250.8542 31.65505 13.95840 35.50060 16.60693 -3.845545      21.69394 
1 1 1 -29 11 20 o 40.59930 15.65334 176.0379       153.4826 163.4316       196.2076 195.9143       246.3722 40.60801 16.95920 43.07681 18.53445 -2.468796      25.12251 
1 1 1 -29 11 21 o 40.26413 15.87350 176.5528       160.7035 307.9166       217.3032 17.98583       238.7452 48.04869 18.59750 35.74616 16.54378 12.30253       24.89103 
1 1 1 -29 11 22 o 46.01151 16.39693 264.8459       162.4260 365.1570       222.9550 151.3955       237.1078 50.39728 19.00196 39.73583 17.60800 10.66145       25.90591 
1 1 1 -29 11 23 f 63.70118 15.46027 484.7487       166.4757 331.7805       235.7398 636.9210       235.1257 47.23958 19.02386 66.86948 19.43277 -19.62991      27.19448 
1 1 1 -29 12 6  f 53.92503 14.88976 314.8767       141.6272 314.8767       141.6272 0.000000       0.000000 53.92503 14.88976 ?        ?        0.000000       14.88976 
1 1 1 -29 12 7  o 25.44387 11.84701 -71.47621      125.2878 -71.47621      125.2878 0.000000       0.000000 25.44387 11.84701 ?        ?        0.000000       11.84701 
1 1 1 -29 12 8  o 58.19532 14.35919 360.7049       141.8219 360.7049       141.8219 0.000000       0.000000 58.19532 14.35919 ?        ?        0.000000       14.35919 
1 1 1 -29 12 9  o 49.39844 14.84011 264.1362       135.2675 251.4772       138.0155 572.5730       681.2584 48.10876 15.09270 56.62009 26.75903 -8.511330      30.72190 
1 1 1 -29 12 10 o 35.01144 17.69696 -969.4730      512.8375 0.000000       0.000000 -969.4730      512.8375 ?        ?        35.01144 17.69696 0.000000       17.69696 
1 1 1 -29 12 11 o 45.04488 17.53961 217.7984       194.1825 254.2843       210.5647 10.31215       502.1320 47.36743 18.31441 45.85041 22.02666 1.517021       28.64597 
1 1 1 -29 12 12 o 27.91737 13.45099 -185.6882      190.5137 -209.6759      201.4943 16.57596       585.0964 28.21583 13.65318 47.24160 22.95446 -19.02577      26.70799 
1 1 1 -29 12 13 o 32.09816 14.85039 -48.74009      192.1313 -31.88233      204.1781 -179.0839      567.7465 33.50516 15.43307 44.13275 21.68901 -10.62759      26.61941 
1 1 1 -29 12 14 o 33.62085 14.86148 33.74873       167.8921 20.13110       205.5659 61.03101       290.9651 35.35387 15.97322 40.59884 18.59767 -5.244965      24.51565 
1 1 1 -29 12 15 o 36.95666 15.59000 102.1342       168.4263 175.0216       210.2878 -28.28627      281.2942 42.20927 17.58652 37.42924 17.53346 4.780029       24.83360 
1 1 1 -29 12 16 o 56.00213 16.63211 371.2911       170.6304 241.2787       198.1013 744.9835       335.8551 45.47731 17.71356 68.25858 23.63719 -22.78126      29.53789 
1 1 1 -29 12 17 o 18.42913 9.161713 -236.0626      112.2455 -97.98878      124.9952 -811.1861      255.1045 23.99911 11.37755 22.90663 11.66994 1.092478       16.29835 
1 1 1 -29 12 18 o 28.76708 12.71661 15.80920       122.9425 -100.9784      134.4908 609.5779       303.2516 24.76246 11.75752 61.41973 22.33790 -36.65726      25.24324 
1 1 1 -29 12 19 o 41.02308 14.35540 188.0161       124.0326 161.6180       143.7203 265.0564       245.5216 38.88830 15.10418 45.18362 18.92889 -6.295319      24.21650 
1 1 1 -29 12 20 o 23.64161 11.17830 -81.83127      119.1298 -45.79199      138.4573 -184.5654      233.7682 26.92330 12.50856 29.81665 14.49273 -2.893347      19.14427 
1 1 1 -29 13 12 o 31.28260 13.37566 48.93045       126.8712 48.93045       126.8712 0.000000       0.000000 31.28260 13.37566 ?        ?        0.000000       13.37566 
1 1 1 -29 13 13 o 31.11569 13.77687 23.32378       144.8637 -93.71954      166.2447 392.5783       295.2823 28.10372 13.26259 51.94076 21.15578 -23.83704      24.96925 
1 1 1 -29 13 14 o 38.39382 15.86178 136.4220       168.9985 136.4220       168.9985 0.000000       0.000000 38.39382 15.86178 ?        ?        0.000000       15.86178 
1 1 1 -29 13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  1  o 153.3419 8.420181 2051.954       218.9681 2051.954       218.9681 2051.954       218.9681 153.3419 8.420181 153.3419 8.420181 0.000000       0.000000 
1 1 1 -28 0  2  o 40.15588 18.78415 211.9320       143.9097 211.9320       143.9097 211.9320       143.9097 40.15588 18.78415 40.15588 18.78415 -0.000000      0.000000 
1 1 1 -28 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  5  f 124.0865 10.92106 1368.483       227.2915 1368.483       227.2915 1368.483       227.2915 124.0865 10.92106 124.0865 10.92106 -0.000000      0.000000 
1 1 1 -28 0  6  o 23.16492 15.70830 -84.07822      185.8002 -84.07822      185.8002 -84.07822      185.8002 23.16492 15.70830 23.16492 15.70830 -0.000000      0.000000 
1 1 1 -28 0  7  o 85.76077 20.91329 758.7802       265.3482 758.7802       265.3482 758.7802       265.3482 85.76077 20.91329 85.76077 20.91329 -0.000000      0.000000 
1 1 1 -28 0  8  o 286.9242 11.37196 7186.346       555.2029 7186.346       555.2029 7186.346       555.2029 286.9242 11.37196 286.9242 11.37196 0.000000       0.000000 
1 1 1 -28 0  9  o 77.51412 25.21013 686.9883       295.2816 686.9883       295.2816 686.9883       295.2816 77.51412 25.21013 77.51412 25.21013 0.000000       0.000000 
1 1 1 -28 0  10 o 56.54128 26.89048 434.4355       296.1798 434.4355       296.1798 434.4355       296.1798 56.54128 26.89048 56.54128 26.89048 0.000000       0.000000 
1 1 1 -28 0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  25 o 121.2104 17.19354 1443.420       335.2084 1443.420       335.2084 1443.420       335.2084 121.2104 17.19354 121.2104 17.19354 0.000000       0.000000 
1 1 1 -28 0  26 o 39.66962 24.75991 211.4945       342.4010 211.4945       342.4010 211.4945       342.4010 39.66962 24.75991 39.66962 24.75991 0.000000       0.000000 
1 1 1 -28 0  27 o 21.69210 15.48233 -301.1174      256.7988 -301.1174      256.7988 -301.1174      256.7988 21.69210 15.48233 21.69210 15.48233 -0.000000      0.000000 
1 1 1 -28 0  28 f 27.54439 18.65376 -36.00133      260.2667 -36.00133      260.2667 -36.00133      260.2667 27.54439 18.65376 27.54439 18.65376 -0.000000      0.000000 
1 1 1 -28 0  29 o 104.8305 21.58203 1245.130       341.2386 1245.130       341.2386 1245.130       341.2386 104.8305 21.58203 104.8305 21.58203 -0.000000      0.000000 
1 1 1 -28 0  30 o 48.55141 26.12161 459.6429       299.5181 459.6429       299.5181 459.6429       299.5181 48.55141 26.12161 48.55141 26.12161 -0.000000      0.000000 
1 1 1 -28 0  31 o 22.23290 15.54857 -120.1745      218.9010 -120.1745      218.9010 -120.1745      218.9010 22.23290 15.54857 22.23290 15.54857 0.000000       0.000000 
1 1 1 -28 0  32 o 50.60521 23.24381 434.1558       219.9279 434.1558       219.9279 434.1558       219.9279 50.60521 23.24381 50.60521 23.24381 -0.000000      0.000000 
1 1 1 -28 0  33 o 20.12425 14.45903 -250.3647      239.7018 -250.3647      239.7018 -250.3647      239.7018 20.12425 14.45903 20.12425 14.45903 -0.000000      0.000000 
1 1 1 -28 1  1  o 40.07696 13.05249 143.4064       102.4901 263.5417       129.5029 -57.96136      167.6637 52.67881 14.11201 32.14655 14.48391 20.53225       20.22208 
1 1 1 -28 1  2  o 90.05076 7.572010 710.9968       115.3587 650.1580       158.3126 779.8699       168.4419 84.77401 11.21083 93.13928 10.79033 -8.365273      15.56001 
1 1 1 -28 1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  6  o 70.32566 13.60954 458.6549       157.5321 553.6088       190.9841 256.5367       278.6401 76.81328 15.09823 55.99200 21.21114 20.82128       26.03592 
1 1 1 -28 1  7  o 183.9973 7.550771 2938.214       237.2492 3086.649       295.3624 2668.276       398.3064 187.8487 9.207570 171.7334 13.69580 16.11539       16.50316 
1 1 1 -28 1  8  o 109.8583 9.884755 1066.281       183.4533 1153.606       229.4300 911.4637       305.4876 113.4160 12.02971 97.22737 19.08074 16.18861       22.55634 
1 1 1 -28 1  9  o 206.9580 7.988545 3720.589       282.3267 3689.594       401.0857 3751.029       397.4792 203.9054 11.56641 205.7391 11.35745 -1.833649      16.21029 
1 1 1 -28 1  10 o 58.53428 23.05924 251.4141       338.8997 251.4141       338.8997 0.000000       0.000000 58.53428 23.05924 ?        ?        0.000000       23.05924 
1 1 1 -28 1  11 o 157.3976 15.02020 2259.671       398.8159 2259.671       398.8159 0.000000       0.000000 157.3976 15.02020 ?        ?        0.000000       15.02020 
1 1 1 -28 1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 1  24 o 40.80535 19.53009 -270.7117      386.6677 0.000000       0.000000 -270.7117      386.6677 ?        ?        40.80535 19.53009 0.000000       19.53009 
1 1 1 -28 1  25 o 66.12535 22.28886 530.9792       298.2216 0.000000       0.000000 530.9792       298.2216 ?        ?        66.12535 22.28886 0.000000       22.28886 
1 1 1 -28 1  26 o 63.77742 17.96643 452.6051       204.0300 793.9708       305.9426 179.1835       273.8082 80.88644 21.69977 46.81518 19.82014 34.07125       29.38908 
1 1 1 -28 1  27 o 44.69701 17.30967 197.3005       188.3299 186.9505       279.3203 205.9275       255.0137 46.49695 19.86286 46.71458 19.40697 -0.2176323     27.76983 
1 1 1 -28 1  28 o 94.44240 18.33833 1026.127       285.0902 0.000000       0.000000 1026.127       285.0902 ?        ?        94.44240 18.33833 0.000000       18.33833 
1 1 1 -28 1  29 o 84.30239 15.13351 774.8361       209.8557 944.8882       283.8340 569.7834       311.6781 86.96194 19.58421 60.76883 22.55426 26.19312       29.87032 
1 1 1 -28 1  30 f 37.65668 16.09228 122.4027       183.4594 -135.4806      301.6921 273.7198       231.0981 34.70135 16.77086 45.95343 18.71631 -11.25208      25.13090 
1 1 1 -28 1  31 o 38.37080 17.77065 90.06010       276.1620 90.06010       276.1620 0.000000       0.000000 38.37080 17.77065 ?        ?        0.000000       17.77065 
1 1 1 -28 1  32 o 31.16607 14.40816 4.941604       180.3511 -129.0183      260.2002 128.8060       250.2035 31.55080 15.32512 37.89837 17.31772 -6.347565      23.12494 
1 1 1 -28 1  33 o 38.38557 15.06847 186.5935       144.2391 490.6720       207.5785 -97.30341      200.5718 55.93599 18.59310 28.44538 13.72968 27.49061       23.11292 
1 1 1 -28 2  1  o 34.78955 12.39112 97.66771       92.74615 170.4942       123.0486 1.868528       141.1280 43.44711 14.30920 32.25393 13.95224 11.19318       19.98545 
1 1 1 -28 2  2  o 29.96237 12.31616 33.55305       101.2303 0.9837477      125.6884 93.68919       170.7886 30.59157 13.20011 40.39441 16.21875 -9.802843      20.91150 
1 1 1 -28 2  3  f 36.00533 13.57812 92.46127       113.8548 206.2980       139.9243 -130.5862      195.8621 47.42075 15.23405 32.33044 14.97054 15.09031       21.35868 
1 1 1 -28 2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  6  o 70.65147 14.79873 469.4935       172.8256 363.1053       200.4089 778.1546       341.3589 61.34571 17.97347 87.12518 22.71154 -25.77946      28.96307 
1 1 1 -28 2  7  o 82.97282 12.36879 626.1332       169.8975 718.0151       193.4360 316.0201       355.3714 88.61070 13.18524 61.59363 23.79883 27.01707       27.20726 
1 1 1 -28 2  8  o 49.57525 17.65712 208.6859       188.3272 208.6859       188.3272 0.000000       0.000000 49.57525 17.65712 ?        ?        0.000000       17.65712 
1 1 1 -28 2  9  o 103.1674 12.79306 963.0073       220.5462 963.0073       220.5462 0.000000       0.000000 103.1674 12.79306 ?        ?        0.000000       12.79306 
1 1 1 -28 2  10 o 137.2493 11.08018 1673.108       257.4783 1673.108       257.4783 0.000000       0.000000 137.2493 11.08018 ?        ?        0.000000       11.08018 
1 1 1 -28 2  11 o 192.4322 11.04114 3279.027       361.3038 3279.027       361.3038 0.000000       0.000000 192.4322 11.04114 ?        ?        0.000000       11.04114 
1 1 1 -28 2  12 o 46.93627 19.95116 62.34927       279.2806 62.34927       279.2806 0.000000       0.000000 46.93627 19.95116 ?        ?        0.000000       19.95116 
1 1 1 -28 2  13 o 42.99688 19.17936 -52.64277      286.0428 -52.64277      286.0428 0.000000       0.000000 42.99688 19.17936 ?        ?        0.000000       19.17936 
1 1 1 -28 2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  23 o 96.40561 21.75028 1033.193       349.5544 0.000000       0.000000 1033.193       349.5544 ?        ?        96.40561 21.75028 0.000000       21.75028 
1 1 1 -28 2  24 o 57.04685 21.94784 352.8520       301.2327 0.000000       0.000000 352.8520       301.2327 ?        ?        57.04685 21.94784 0.000000       21.94784 
1 1 1 -28 2  25 f 36.50223 17.62232 -298.1350      330.8585 0.000000       0.000000 -298.1350      330.8585 ?        ?        36.50223 17.62232 0.000000       17.62232 
1 1 1 -28 2  26 o 65.67583 21.27921 530.7057       272.5663 0.000000       0.000000 530.7057       272.5663 ?        ?        65.67583 21.27921 0.000000       21.27921 
1 1 1 -28 2  27 o 38.27436 16.93427 49.48035       218.4886 -390.1094      292.6033 603.4703       328.4781 31.61127 15.54248 65.97382 23.33837 -34.36255      28.04012 
1 1 1 -28 2  28 o 34.73730 15.37815 34.77260       180.4316 288.1055       264.7380 -184.9781      246.5674 49.27898 20.04716 32.11485 15.42992 17.16413       25.29765 
1 1 1 -28 2  29 o 54.98969 17.84578 377.0581       191.6506 481.1964       254.7681 241.3084       290.8768 58.47600 20.56781 45.87400 19.93704 12.60200       28.64472 
1 1 1 -28 2  30 o 74.87154 14.32855 618.6831       176.5243 939.8066       267.9258 372.3602       234.6555 85.87368 18.79254 51.09303 19.43880 34.78065       27.03750 
1 1 1 -28 2  31 o 38.68861 16.09409 160.1524       175.7140 -95.87788      236.9436 473.0141       261.9241 31.80498 15.23972 54.12601 20.55047 -22.32103      25.58459 
1 1 1 -28 2  32 o 41.68742 17.75753 238.0750       222.0954 238.0750       222.0954 0.000000       0.000000 41.68742 17.75753 ?        ?        0.000000       17.75753 
1 1 1 -28 2  33 o 33.33799 14.57938 101.6110       157.6536 61.85939       209.3791 153.6529       239.5701 33.32914 15.44903 37.00443 16.92330 -3.675293      22.91442 
1 1 1 -28 3  1  o 69.09184 9.231999 428.0873       106.1999 387.6424       131.0482 505.4646       181.2617 64.52666 12.34271 72.59966 15.11222 -8.072990      19.51209 
1 1 1 -28 3  2  o 55.08514 12.21461 283.2516       111.8865 236.2008       129.1794 424.5449       223.8567 49.95757 14.37111 65.14324 18.97008 -15.18567      23.79900 
1 1 1 -28 3  3  o 88.98161 8.312472 698.2802       124.8455 630.0137       153.6833 830.7507       214.0833 83.46680 11.05427 94.77720 13.61870 -11.31039      17.54040 
1 1 1 -28 3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  7  o 117.8551 9.550975 1227.477       190.5667 1227.477       190.5667 0.000000       0.000000 117.8551 9.550975 ?        ?        0.000000       9.550975 
1 1 1 -28 3  8  o 118.5906 10.66961 1251.897       213.7600 1251.897       213.7600 0.000000       0.000000 118.5906 10.66961 ?        ?        0.000000       10.66961 
1 1 1 -28 3  9  o 62.99356 17.02706 381.1183       187.5322 381.1183       187.5322 0.000000       0.000000 62.99356 17.02706 ?        ?        0.000000       17.02706 
1 1 1 -28 3  10 o 110.0212 11.86244 1087.588       219.3454 1087.588       219.3454 0.000000       0.000000 110.0212 11.86244 ?        ?        0.000000       11.86244 
1 1 1 -28 3  11 o 86.19403 15.10124 692.9882       214.1743 692.9882       214.1743 0.000000       0.000000 86.19403 15.10124 ?        ?        0.000000       15.10124 
1 1 1 -28 3  12 o 89.03770 16.88752 753.3432       247.3734 753.3432       247.3734 0.000000       0.000000 89.03770 16.88752 ?        ?        0.000000       16.88752 
1 1 1 -28 3  13 o 76.42821 20.73707 584.3455       277.5351 584.3455       277.5351 0.000000       0.000000 76.42821 20.73707 ?        ?        0.000000       20.73707 
1 1 1 -28 3  14 o 65.37202 21.82724 418.6410       285.9700 418.6410       285.9700 0.000000       0.000000 65.37202 21.82724 ?        ?        0.000000       21.82724 
1 1 1 -28 3  15 o 63.84687 22.07771 395.7525       292.9499 395.7525       292.9499 0.000000       0.000000 63.84687 22.07771 ?        ?        0.000000       22.07771 
1 1 1 -28 3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 3  22 o 28.94605 14.76425 -1485.338      418.3968 0.000000       0.000000 -1485.338      418.3968 ?        ?        28.94605 14.76425 0.000000       14.76425 
1 1 1 -28 3  23 o 117.9428 17.02881 1409.526       333.0371 0.000000       0.000000 1409.526       333.0371 ?        ?        117.9428 17.02881 0.000000       17.02881 
1 1 1 -28 3  24 o 54.71486 22.61828 299.2222       343.9364 0.000000       0.000000 299.2222       343.9364 ?        ?        54.71486 22.61828 0.000000       22.61828 
1 1 1 -28 3  25 o 49.94970 20.23732 242.7485       268.5227 0.000000       0.000000 242.7485       268.5227 ?        ?        49.94970 20.23732 0.000000       20.23732 
1 1 1 -28 3  26 o 44.51863 19.35879 131.4865       274.5533 0.000000       0.000000 131.4865       274.5533 ?        ?        44.51863 19.35879 0.000000       19.35879 
1 1 1 -28 3  27 o 65.11018 23.13731 595.2823       323.1933 0.000000       0.000000 595.2823       323.1933 ?        ?        65.11018 23.13731 0.000000       23.13731 
1 1 1 -28 3  28 o 31.28936 14.43225 -43.71495      179.4354 344.7811       269.7643 -351.9888      240.3032 51.53941 20.48738 28.10476 13.86928 23.43465       24.74045 
1 1 1 -28 3  29 o 26.86093 13.13897 -243.2466      200.9592 -571.3558      305.3851 7.352807       266.8877 28.49591 14.30610 37.11763 17.28530 -8.621712      22.43761 
1 1 1 -28 3  30 o 52.90054 17.21415 359.9065       178.2794 504.8066       302.1281 282.5014       220.8216 54.68483 21.69925 46.03164 18.45619 8.653187       28.48664 
1 1 1 -28 3  31 o 48.43792 16.98744 310.2683       173.7300 421.2710       303.7279 256.2910       211.7989 49.44845 20.90165 43.81019 17.88900 5.638260       27.51173 
1 1 1 -28 3  32 o 89.43246 13.26611 894.3270       196.4584 1036.296       293.9472 779.7164       264.1100 82.01319 20.92147 70.02792 20.66624 11.98528       29.40751 
1 1 1 -28 3  33 o 43.37158 16.38018 271.0354       165.8502 332.9622       262.5471 229.9156       213.9408 43.15104 18.84409 39.73928 17.18435 3.411751       25.50297 
1 1 1 -28 4  1  o 64.81895 10.23448 382.4209       109.5244 320.3011       125.6887 578.4116       223.2537 58.20018 12.97723 76.26257 17.51240 -18.06239      21.79662 
1 1 1 -28 4  2  o 56.23420 11.30474 292.7102       104.7937 251.4666       124.1617 394.8495       195.3914 51.40896 13.83742 63.09205 17.51480 -11.68309      22.32134 
1 1 1 -28 4  3  o 156.2767 6.749392 2121.549       180.1196 1989.619       212.4772 2458.483       339.5564 150.4718 8.301153 164.7270 12.15695 -14.25522      14.72076 
1 1 1 -28 4  4  o 75.78240 10.26808 517.2092       129.4581 548.8277       145.2547 395.0980       285.4550 77.70473 11.27594 63.25463 21.79799 14.45010       24.54178 
1 1 1 -28 4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 4  8  o 33.12543 14.80190 -47.32980      171.1713 -47.32980      171.1713 0.000000       0.000000 33.12543 14.80190 ?        ?        0.000000       14.80190 
1 1 1 -28 4  9  o 109.3131 11.92815 1078.580       219.0484 1078.580       219.0484 0.000000       0.000000 109.3131 11.92815 ?        ?        0.000000       11.92815 
1 1 1 -28 4  10 o 155.9352 9.475318 2144.055       251.1174 2144.055       251.1174 0.000000       0.000000 155.9352 9.475318 ?        ?        0.000000       9.475318 
1 1 1 -28 4  11 o 56.20052 17.53185 300.2278       186.5256 300.2278       186.5256 0.000000       0.000000 56.20052 17.53185 ?        ?        0.000000       17.53185 
1 1 1 -28 4  12 o 39.32702 16.48686 50.86192       186.4699 50.86192       186.4699 0.000000       0.000000 39.32702 16.48686 ?        ?        0.000000       16.48686 
1 1 1 -28 4  13 o 47.19405 17.96433 170.1765       200.4700 170.1765       200.4700 0.000000       0.000000 47.19405 17.96433 ?        ?        0.000000       17.96433 
1 1 1 -28 4  14 o 140.6104 12.52292 1791.702       297.5467 1791.702       297.5467 0.000000       0.000000 140.6104 12.52292 ?        ?        0.000000       12.52292 
1 1 1 -28 4  15 o 170.6992 13.47710 2665.064       389.6574 2665.064       389.6574 0.000000       0.000000 170.6992 13.47710 ?        ?        0.000000       13.47710 
1 1 1 -28 4  16 o 58.60472 23.18918 287.9390       344.1421 287.9390       344.1421 0.000000       0.000000 58.60472 23.18918 ?        ?        0.000000       23.18918 
1 1 1 -28 4  17 o 63.82209 22.07202 414.1652       292.8033 414.1652       292.8033 0.000000       0.000000 63.82209 22.07202 ?        ?        0.000000       22.07202 
1 1 1 -28 4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 4  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 4  21 o 123.9332 18.74843 1573.065       384.3866 0.000000       0.000000 1573.065       384.3866 ?        ?        123.9332 18.74843 0.000000       18.74843 
1 1 1 -28 4  22 o 116.9203 17.20313 1382.193       333.2105 0.000000       0.000000 1382.193       333.2105 ?        ?        116.9203 17.20313 0.000000       17.20313 
1 1 1 -28 4  23 o 123.1189 18.40708 1589.969       375.1218 0.000000       0.000000 1589.969       375.1218 ?        ?        123.1189 18.40708 0.000000       18.40708 
1 1 1 -28 4  24 o 88.67655 19.39765 868.1632       285.5650 0.000000       0.000000 868.1632       285.5650 ?        ?        88.67655 19.39765 0.000000       19.39765 
1 1 1 -28 4  25 o 39.93762 18.19650 -6.463512      273.7150 0.000000       0.000000 -6.463512      273.7150 ?        ?        39.93762 18.19650 0.000000       18.19650 
1 1 1 -28 4  26 o 39.41964 18.52435 -85.60921      318.2423 0.000000       0.000000 -85.60921      318.2423 ?        ?        39.41964 18.52435 0.000000       18.52435 
1 1 1 -28 4  27 o 45.80661 19.05165 213.1088       246.1651 0.000000       0.000000 213.1088       246.1651 ?        ?        45.80661 19.05165 0.000000       19.05165 
1 1 1 -28 4  28 o 23.78924 11.82883 -353.7537      187.5097 -433.5732      346.3784 -320.6659      223.0130 32.81065 16.27415 27.23566 13.42531 5.574993       21.09708 
1 1 1 -28 4  29 f 44.08474 17.11946 232.0059       184.6057 368.4288       320.6440 164.3650       225.7795 49.44092 21.20509 40.90353 17.67064 8.537384       27.60267 
1 1 1 -28 4  30 o 31.42879 14.43791 -2.156055      177.0736 -91.13505      242.9330 98.70436       258.6444 32.42605 15.50924 38.38780 17.56627 -5.961754      23.43311 
1 1 1 -28 4  31 o 70.85712 14.23154 572.9886       166.2222 654.9335       263.7447 518.9929       214.0931 63.72143 20.94747 60.11790 18.78751 3.603527       28.13836 
1 1 1 -28 4  32 o 47.60197 16.57304 318.1393       165.2134 344.6952       290.3055 305.4185       200.9243 43.88078 19.46218 44.68926 17.70741 -0.8084831     26.31214 
1 1 1 -28 5  1  o 112.1967 6.968120 1102.212       132.8450 956.2640       167.7003 1348.086       217.6658 103.3110 9.616158 122.2566 10.52865 -18.94561      14.25914 
1 1 1 -28 5  2  o 85.43176 8.744576 649.6816       125.7755 763.3461       138.9005 132.0726       296.4096 92.60555 8.892802 49.31861 20.73666 43.28694       22.56304 
1 1 1 -28 5  3  o 32.39774 13.42874 38.58060       121.7048 -31.01849      136.8930 301.0543       265.8413 29.97007 13.32502 56.73130 20.87168 -26.76124      24.76254 
1 1 1 -28 5  4  o 176.6339 6.780127 2712.284       204.5096 2492.116       237.3180 3347.535       403.1120 168.5959 8.242933 191.9682 12.36261 -23.37233      14.85867 
1 1 1 -28 5  5  o 69.38427 12.18214 444.6118       139.0742 444.6118       139.0742 0.000000       0.000000 69.38427 12.18214 ?        ?        0.000000       12.18214 
1 1 1 -28 5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  11 o 101.1792 11.16636 922.7413       189.7180 922.7413       189.7180 0.000000       0.000000 101.1792 11.16636 ?        ?        0.000000       11.16636 
1 1 1 -28 5  12 o 43.46635 16.78495 135.8972       176.6909 135.8972       176.6909 0.000000       0.000000 43.46635 16.78495 ?        ?        0.000000       16.78495 
1 1 1 -28 5  13 o 34.67415 15.32514 -25.12211      178.4765 -25.12211      178.4765 0.000000       0.000000 34.67415 15.32514 ?        ?        0.000000       15.32514 
1 1 1 -28 5  14 o 67.90640 19.64923 466.9748       240.8571 466.9748       240.8571 0.000000       0.000000 67.90640 19.64923 ?        ?        0.000000       19.64923 
1 1 1 -28 5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 5  20 o 77.36240 23.99011 698.5562       349.8459 0.000000       0.000000 698.5562       349.8459 ?        ?        77.36240 23.99011 0.000000       23.99011 
1 1 1 -28 5  21 o 38.34987 17.99537 -165.9018      298.4725 0.000000       0.000000 -165.9018      298.4725 ?        ?        38.34987 17.99537 0.000000       17.99537 
1 1 1 -28 5  22 o 63.87453 21.99107 471.7668       290.5016 0.000000       0.000000 471.7668       290.5016 ?        ?        63.87453 21.99107 0.000000       21.99107 
1 1 1 -28 5  23 o 72.08561 21.27534 609.3499       279.8969 0.000000       0.000000 609.3499       279.8969 ?        ?        72.08561 21.27534 0.000000       21.27534 
1 1 1 -28 5  24 o 66.97060 23.97662 593.4311       347.6835 0.000000       0.000000 593.4311       347.6835 ?        ?        66.97060 23.97662 0.000000       23.97662 
1 1 1 -28 5  25 o 74.17946 23.37984 731.4622       330.7763 0.000000       0.000000 731.4622       330.7763 ?        ?        74.17946 23.37984 0.000000       23.37984 
1 1 1 -28 5  26 o 105.4956 15.67791 1178.938       273.8501 0.000000       0.000000 1178.938       273.8501 ?        ?        105.4956 15.67791 0.000000       15.67791 
1 1 1 -28 5  27 o 28.60416 13.97353 -268.1729      225.1053 0.000000       0.000000 -268.1729      225.1053 ?        ?        28.60416 13.97353 0.000000       13.97353 
1 1 1 -28 5  28 o 81.16445 18.14709 802.6118       245.2086 0.000000       0.000000 802.6118       245.2086 ?        ?        81.16445 18.14709 0.000000       18.14709 
1 1 1 -28 5  29 o 27.39509 13.03563 -104.6190      167.0623 -135.8805      270.5460 -85.35213      212.3934 33.05734 15.95319 31.13593 14.78130 1.921413       21.74836 
1 1 1 -28 5  30 o 100.0787 12.72766 1066.401       212.5955 1435.573       328.5475 800.4831       278.8412 104.6291 19.09188 72.79910 21.16414 31.83001       28.50300 
1 1 1 -28 5  31 o 64.86119 17.11301 555.7122       192.2927 529.3552       295.9214 574.9755       252.9845 52.50566 21.25455 58.53181 20.50081 -6.026154      29.53031 
1 1 1 -28 5  32 o 35.60954 15.51911 137.5972       177.2631 39.92547       241.0690 252.5774       261.5584 33.71217 15.92808 40.54238 18.19363 -6.830212      24.18082 
1 1 1 -28 6  1  o 104.2691 7.459579 957.9966       131.9452 1061.567       161.5572 750.5329       228.6547 109.1709 8.739239 87.60068 15.86950 21.57024       18.11671 
1 1 1 -28 6  2  o 103.1761 8.799767 947.6890       153.5609 891.3518       181.5154 1089.516       288.0023 98.96512 10.92262 105.6819 16.49756 -6.716759      19.78568 
1 1 1 -28 6  3  o 68.97563 11.12747 437.6972       126.6067 451.9930       140.8399 377.4987       289.0100 69.59090 12.30141 61.03029 21.85903 8.560616       25.08270 
1 1 1 -28 6  4  o 96.74517 9.034539 833.7158       147.5305 833.7158       147.5305 0.000000       0.000000 96.74517 9.034539 ?        ?        0.000000       9.034539 
1 1 1 -28 6  5  o 43.80127 14.03915 176.7602       118.8865 176.7602       118.8865 0.000000       0.000000 43.80127 14.03915 ?        ?        0.000000       14.03915 
1 1 1 -28 6  6  o 144.6709 8.169926 1840.704       201.0118 1840.704       201.0118 0.000000       0.000000 144.6709 8.169926 ?        ?        0.000000       8.169926 
1 1 1 -28 6  7  o 69.16188 12.16719 442.7155       138.4539 442.7155       138.4539 0.000000       0.000000 69.16188 12.16719 ?        ?        0.000000       12.16719 
1 1 1 -28 6  8  o 42.72039 15.02686 157.1777       135.9904 157.1777       135.9904 0.000000       0.000000 42.72039 15.02686 ?        ?        0.000000       15.02686 
1 1 1 -28 6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 6  18 o 138.2565 10.53115 1732.206       246.7656 2207.073       315.5976 985.1804       395.8357 154.8159 12.03210 92.26498 24.65328 62.55089       27.43275 
1 1 1 -28 6  19 f 163.3912 10.16166 2414.521       282.1233 2938.196       368.5917 1673.736       438.3897 178.1549 12.18885 124.8702 21.32452 53.28474       24.56223 
1 1 1 -28 6  20 o 102.3598 18.98491 1099.041       319.6295 0.000000       0.000000 1099.041       319.6295 ?        ?        102.3598 18.98491 0.000000       18.98491 
1 1 1 -28 6  21 o 123.9345 10.83065 1417.731       226.9157 2289.284       333.4655 666.1318       309.6687 155.6188 12.65806 75.13992 22.42679 80.47885       25.75242 
1 1 1 -28 6  22 o 50.86713 20.61844 244.2383       278.8692 0.000000       0.000000 244.2383       278.8692 ?        ?        50.86713 20.61844 0.000000       20.61844 
1 1 1 -28 6  23 o 64.57973 21.74665 509.5690       283.8861 0.000000       0.000000 509.5690       283.8861 ?        ?        64.57973 21.74665 0.000000       21.74665 
1 1 1 -28 6  24 o 42.10162 18.56988 81.66712       260.7428 0.000000       0.000000 81.66712       260.7428 ?        ?        42.10162 18.56988 0.000000       18.56988 
1 1 1 -28 6  25 o 56.92473 20.43712 404.0811       252.7755 0.000000       0.000000 404.0811       252.7755 ?        ?        56.92473 20.43712 0.000000       20.43712 
1 1 1 -28 6  26 o 28.66816 14.01972 -282.0172      228.4092 0.000000       0.000000 -282.0172      228.4092 ?        ?        28.66816 14.01972 0.000000       14.01972 
1 1 1 -28 6  27 o 34.32290 15.93014 -25.90692      223.6717 0.000000       0.000000 -25.90692      223.6717 ?        ?        34.32290 15.93014 0.000000       15.93014 
1 1 1 -28 6  28 o 42.50542 17.86518 203.6539       219.8682 0.000000       0.000000 203.6539       219.8682 ?        ?        42.50542 17.86518 0.000000       17.86518 
1 1 1 -28 6  29 o 107.7526 13.63791 1259.968       245.3264 0.000000       0.000000 1259.968       245.3264 ?        ?        107.7526 13.63791 0.000000       13.63791 
1 1 1 -28 6  30 o 35.16497 15.26930 106.5009       170.3175 131.0760       320.1160 96.79741       201.1514 39.40785 18.53806 35.71767 15.99687 3.690182       24.48591 
1 1 1 -28 6  31 o 28.35024 13.44653 -54.11395      174.9823 -432.9214      293.6009 154.5596       217.9123 27.74738 13.94356 37.30849 16.68389 -9.561113      21.74339 
1 1 1 -28 7  1  o 28.21053 12.16376 5.676269       106.5692 67.16672       115.8747 -331.6985      271.4195 33.48499 13.38936 32.71828 15.83530 0.7667122      20.73720 
1 1 1 -28 7  2  o 46.64957 13.22891 208.8027       110.2364 272.1780       124.7050 -17.75877      235.7853 52.97721 13.68711 38.98036 17.39858 13.99685       22.13701 
1 1 1 -28 7  3  o 25.87716 11.78814 -56.31517      114.8074 -56.31517      114.8074 0.000000       0.000000 25.87716 11.78814 ?        ?        0.000000       11.78814 
1 1 1 -28 7  4  o 141.0025 9.042747 1770.086       216.5875 1770.086       216.5875 0.000000       0.000000 141.0025 9.042747 ?        ?        0.000000       9.042747 
1 1 1 -28 7  5  o 155.3238 8.126875 2128.207       214.8084 2128.207       214.8084 0.000000       0.000000 155.3238 8.126875 ?        ?        0.000000       8.126875 
1 1 1 -28 7  6  o 32.47319 13.03665 56.79031       110.3306 56.79031       110.3306 0.000000       0.000000 32.47319 13.03665 ?        ?        0.000000       13.03665 
1 1 1 -28 7  7  o 32.38702 13.13021 51.79860       113.1150 51.79860       113.1150 0.000000       0.000000 32.38702 13.13021 ?        ?        0.000000       13.13021 
1 1 1 -28 7  8  o 46.39041 14.15293 203.1617       122.3386 203.1617       122.3386 0.000000       0.000000 46.39041 14.15293 ?        ?        0.000000       14.15293 
1 1 1 -28 7  9  o 42.74523 14.42326 164.4978       124.8806 164.4978       124.8806 0.000000       0.000000 42.74523 14.42326 ?        ?        0.000000       14.42326 
1 1 1 -28 7  10 o 45.55328 14.70091 193.0083       130.1894 193.0083       130.1894 0.000000       0.000000 45.55328 14.70091 ?        ?        0.000000       14.70091 
1 1 1 -28 7  11 o 67.86415 12.77206 432.1598       142.5825 432.1598       142.5825 0.000000       0.000000 67.86415 12.77206 ?        ?        0.000000       12.77206 
1 1 1 -28 7  12 o 27.31470 12.86605 -142.7874      155.1185 -142.7874      155.1185 0.000000       0.000000 27.31470 12.86605 ?        ?        0.000000       12.86605 
1 1 1 -28 7  13 o 101.4621 9.961297 925.9958       170.3669 925.9958       170.3669 0.000000       0.000000 101.4621 9.961297 ?        ?        0.000000       9.961297 
1 1 1 -28 7  14 o 115.1370 12.09550 1219.403       234.2611 1219.403       234.2611 0.000000       0.000000 115.1370 12.09550 ?        ?        0.000000       12.09550 
1 1 1 -28 7  15 o 120.9635 13.31943 1368.250       270.5731 1368.250       270.5731 0.000000       0.000000 120.9635 13.31943 ?        ?        0.000000       13.31943 
1 1 1 -28 7  16 o 83.91565 15.31035 686.3741       211.3125 686.3741       211.3125 0.000000       0.000000 83.91565 15.31035 ?        ?        0.000000       15.31035 
1 1 1 -28 7  17 o 47.18725 17.85353 195.3526       197.2531 306.0480       245.2331 -7.517386      331.9884 55.27996 20.09033 45.10573 20.34651 10.17423       28.59374 
1 1 1 -28 7  18 o 147.6225 8.466366 1942.241       212.5363 1952.463       268.1715 1924.976       348.5221 146.0944 10.82627 141.2618 14.66142 4.832596       18.22540 
1 1 1 -28 7  19 o 52.37868 21.18247 249.4310       293.6087 0.000000       0.000000 249.4310       293.6087 ?        ?        52.37868 21.18247 0.000000       21.18247 
1 1 1 -28 7  20 o 152.0406 8.709835 2076.989       225.1953 2189.555       277.5986 1860.330       385.1257 154.3023 10.59948 134.8374 17.11109 19.46497       20.12805 
1 1 1 -28 7  21 o 71.68336 17.98038 555.7673       219.7175 820.1237       282.0104 147.4368       350.4904 85.92342 19.64738 48.95206 21.56380 36.97136       29.17219 
1 1 1 -28 7  22 o 42.52645 17.13335 147.8358       191.3053 400.6672       232.4383 -383.0385      336.8123 59.07374 19.67684 35.09339 17.13244 23.98035       26.09020 
1 1 1 -28 7  23 o 42.03657 17.65317 128.6644       214.3858 4.390530       289.2139 280.2372       319.4037 40.79714 18.63321 51.59882 21.60123 -10.80169      28.52735 
1 1 1 -28 7  24 o 40.74069 18.71900 13.59788       297.8347 0.000000       0.000000 13.59788       297.8347 ?        ?        40.74069 18.71900 0.000000       18.71900 
1 1 1 -28 7  25 o 37.53495 17.62209 -56.20802      286.8487 0.000000       0.000000 -56.20802      286.8487 ?        ?        37.53495 17.62209 0.000000       17.62209 
1 1 1 -28 7  26 o 33.21780 15.58191 -64.41082      223.4592 0.000000       0.000000 -64.41082      223.4592 ?        ?        33.21780 15.58191 0.000000       15.58191 
1 1 1 -28 7  27 o 33.18472 15.47635 -32.51545      215.1959 0.000000       0.000000 -32.51545      215.1959 ?        ?        33.18472 15.47635 0.000000       15.47635 
1 1 1 -28 7  28 o 75.43504 17.89153 716.3228       226.9865 0.000000       0.000000 716.3228       226.9865 ?        ?        75.43504 17.89153 0.000000       17.89153 
1 1 1 -28 7  29 o 43.51143 17.74794 253.8574       208.1907 0.000000       0.000000 253.8574       208.1907 ?        ?        43.51143 17.74794 0.000000       17.74794 
1 1 1 -28 7  30 o 41.35813 16.85335 233.4308       187.5038 217.0819       335.1595 240.8788       226.2172 40.48940 19.02170 41.28486 17.76181 -0.7954636     26.02512 
1 1 1 -28 8  1  o 31.77296 13.15009 45.93127       116.4556 45.93127       116.4556 0.000000       0.000000 31.77296 13.15009 ?        ?        0.000000       13.15009 
1 1 1 -28 8  2  o 92.53551 9.615758 777.8926       149.7287 777.8926       149.7287 0.000000       0.000000 92.53551 9.615758 ?        ?        0.000000       9.615758 
1 1 1 -28 8  3  o 49.18315 15.68645 237.9357       148.5629 237.9357       148.5629 0.000000       0.000000 49.18315 15.68645 ?        ?        0.000000       15.68645 
1 1 1 -28 8  4  o 50.63545 14.05666 249.9999       125.8522 249.9999       125.8522 0.000000       0.000000 50.63545 14.05666 ?        ?        0.000000       14.05666 
1 1 1 -28 8  5  o 104.2839 10.30532 987.0936       181.1179 987.0936       181.1179 0.000000       0.000000 104.2839 10.30532 ?        ?        0.000000       10.30532 
1 1 1 -28 8  6  o 51.59320 14.31941 259.1896       130.6162 259.1896       130.6162 0.000000       0.000000 51.59320 14.31941 ?        ?        0.000000       14.31941 
1 1 1 -28 8  7  o 71.10450 13.20009 480.5507       154.3778 480.5507       154.3778 0.000000       0.000000 71.10450 13.20009 ?        ?        0.000000       13.20009 
1 1 1 -28 8  8  o 20.66689 9.922366 -135.2820      101.5512 -135.2820      101.5512 0.000000       0.000000 20.66689 9.922366 ?        ?        0.000000       9.922366 
1 1 1 -28 8  9  o 44.00923 15.22862 176.2903       139.3935 176.2903       139.3935 0.000000       0.000000 44.00923 15.22862 ?        ?        0.000000       15.22862 
1 1 1 -28 8  10 o 31.52127 12.99550 41.82367       113.1214 41.82367       113.1214 0.000000       0.000000 31.52127 12.99550 ?        ?        0.000000       12.99550 
1 1 1 -28 8  11 o 117.6049 8.620937 1230.468       171.9275 1230.468       171.9275 0.000000       0.000000 117.6049 8.620937 ?        ?        0.000000       8.620937 
1 1 1 -28 8  12 o 41.49424 15.74153 137.5889       153.6034 137.5889       153.6034 0.000000       0.000000 41.49424 15.74153 ?        ?        0.000000       15.74153 
1 1 1 -28 8  13 f 38.83687 16.11060 75.45667       175.3710 75.45667       175.3710 0.000000       0.000000 38.83687 16.11060 ?        ?        0.000000       16.11060 
1 1 1 -28 8  14 o 45.63103 17.24739 179.1137       183.9699 179.1137       183.9699 0.000000       0.000000 45.63103 17.24739 ?        ?        0.000000       17.24739 
1 1 1 -28 8  15 f 94.23298 13.38409 844.5305       209.3216 844.5305       209.3216 0.000000       0.000000 94.23298 13.38409 ?        ?        0.000000       13.38409 
1 1 1 -28 8  16 o 100.3322 10.78003 925.4866       181.8017 1095.040       218.6572 545.7852       327.2137 108.3085 12.02522 68.33842 23.34562 39.97006       26.26070 
1 1 1 -28 8  17 o 43.34930 19.39066 20.15098       294.5742 0.000000       0.000000 20.15098       294.5742 ?        ?        43.34930 19.39066 0.000000       19.39066 
1 1 1 -28 8  18 o 108.5009 9.733309 1073.130       178.4237 1272.458       220.5181 695.2642       303.6195 117.0771 11.16518 77.25504 21.97090 39.82201       24.64512 
1 1 1 -28 8  19 o 29.33970 13.75892 -122.2951      174.0241 -115.2100      229.8452 -131.8127      266.3946 34.33296 16.00603 36.46768 17.07657 -2.134716      23.40517 
1 1 1 -28 8  20 o 57.60197 16.22295 349.6749       166.3731 440.3485       188.7540 33.89429       352.2481 64.19986 16.96263 45.34476 20.65331 18.85509       26.72620 
1 1 1 -28 8  21 o 52.45714 17.82952 299.4319       190.8439 182.0342       232.2756 543.3369       334.7989 45.71142 18.70739 64.46359 23.46708 -18.75217      30.01117 
1 1 1 -28 8  22 o 30.97972 14.24294 -57.97013      172.7915 -63.77111      236.2409 -51.29652      253.3874 35.51834 16.44484 36.97282 17.08756 -1.454483      23.71534 
1 1 1 -28 8  23 o 34.29257 15.19417 23.40272       176.5049 -89.49113      256.7583 124.5534       243.0378 35.54137 16.68167 42.13197 18.26723 -6.590607      24.73803 
1 1 1 -28 8  24 o 29.38552 13.79082 -91.19852      175.3956 -56.99716      269.3441 -116.3802      231.1151 36.54245 17.13045 32.72012 15.50012 3.822334       23.10208 
1 1 1 -28 8  25 o 64.27490 16.67432 483.2331       184.5804 423.7206       294.4816 521.7442       236.8900 53.84604 21.40505 62.58727 19.79188 -8.741234      29.15295 
1 1 1 -28 8  26 o 39.73270 16.87350 149.7280       199.4252 -364.3564      300.3022 555.3013       266.7325 30.86182 15.28004 61.10418 21.07021 -30.24236      26.02755 
1 1 1 -28 8  27 o 60.66882 21.15044 570.5026       269.1217 0.000000       0.000000 570.5026       269.1217 ?        ?        60.66882 21.15044 0.000000       21.15044 
1 1 1 -28 8  28 o 30.15599 14.34410 -78.32765      201.9246 0.000000       0.000000 -78.32765      201.9246 ?        ?        30.15599 14.34410 0.000000       14.34410 
1 1 1 -28 8  29 o 28.55914 13.92548 -163.3127      220.6121 0.000000       0.000000 -163.3127      220.6121 ?        ?        28.55914 13.92548 0.000000       13.92548 
1 1 1 -28 9  1  o 101.5529 7.037554 914.9001       121.2913 754.4415       154.7078 1170.849       195.3922 90.31961 10.20990 112.6589 10.26921 -22.33929      14.48098 
1 1 1 -28 9  2  o 33.21625 13.36354 68.13394       116.2038 68.13394       116.2038 0.000000       0.000000 33.21625 13.36354 ?        ?        0.000000       13.36354 
1 1 1 -28 9  3  o 55.70755 13.53327 306.6682       127.4685 306.6682       127.4685 0.000000       0.000000 55.70755 13.53327 ?        ?        0.000000       13.53327 
1 1 1 -28 9  4  o 191.9289 8.644263 3291.511       283.3155 3291.511       283.3155 0.000000       0.000000 191.9289 8.644263 ?        ?        0.000000       8.644263 
1 1 1 -28 9  5  o 105.3386 8.974269 999.1688       159.8925 999.1688       159.8925 0.000000       0.000000 105.3386 8.974269 ?        ?        0.000000       8.974269 
1 1 1 -28 9  6  o 36.42432 13.83662 102.4162       118.7769 102.4162       118.7769 0.000000       0.000000 36.42432 13.83662 ?        ?        0.000000       13.83662 
1 1 1 -28 9  7  o 49.91716 14.16500 244.3451       126.3455 244.3451       126.3455 0.000000       0.000000 49.91716 14.16500 ?        ?        0.000000       14.16500 
1 1 1 -28 9  8  o 106.4926 9.103409 1019.270       163.9577 1019.270       163.9577 0.000000       0.000000 106.4926 9.103409 ?        ?        0.000000       9.103409 
1 1 1 -28 9  9  o 83.29178 11.51081 645.0248       159.3475 645.0248       159.3475 0.000000       0.000000 83.29178 11.51081 ?        ?        0.000000       11.51081 
1 1 1 -28 9  10 o 86.37943 9.775888 678.2028       141.6626 678.2028       141.6626 0.000000       0.000000 86.37943 9.775888 ?        ?        0.000000       9.775888 
1 1 1 -28 9  11 o 59.43185 12.76028 339.4625       125.6343 339.4625       125.6343 0.000000       0.000000 59.43185 12.76028 ?        ?        0.000000       12.76028 
1 1 1 -28 9  12 o 54.65473 13.65837 292.4213       127.1189 292.4213       127.1189 0.000000       0.000000 54.65473 13.65837 ?        ?        0.000000       13.65837 
1 1 1 -28 9  13 o 32.99857 13.45667 57.57565       119.6497 57.57565       119.6497 0.000000       0.000000 32.99857 13.45667 ?        ?        0.000000       13.45667 
1 1 1 -28 9  14 o 139.9052 8.261477 1745.823       196.5000 2012.789       235.8046 1139.161       355.4662 149.4255 9.287099 101.5847 21.17750 47.84080       23.12438 
1 1 1 -28 9  15 o 54.61729 21.68116 298.3702       301.7366 0.000000       0.000000 298.3702       301.7366 ?        ?        54.61729 21.68116 0.000000       21.68116 
1 1 1 -28 9  16 o 62.40686 17.34027 412.3914       191.4258 453.5576       227.2497 311.8163       355.2043 64.16720 19.22554 55.73181 23.00795 8.435390       29.98311 
1 1 1 -28 9  17 o 72.12868 13.54246 510.6594       160.6786 485.0033       194.8164 565.2400       284.1512 67.86156 16.88074 69.12872 21.65091 -1.267166      27.45399 
1 1 1 -28 9  18 o 58.63970 15.57677 357.2725       158.6213 265.5345       192.1835 553.3177       280.9439 50.43431 17.85042 67.92902 21.56153 -17.49471      27.99174 
1 1 1 -28 9  19 o 27.14868 13.01197 -181.8540      172.9832 -278.0881      222.7751 -35.72082      274.5215 29.18203 14.17585 39.19033 17.99365 -10.00830      22.90690 
1 1 1 -28 9  20 o 50.42169 16.29923 272.7350       159.9868 325.6635       183.3843 104.1089       327.3258 54.18271 17.44369 45.37656 20.35863 8.806149       26.80963 
1 1 1 -28 9  21 o 57.57119 20.67608 415.8029       258.7417 0.000000       0.000000 415.8029       258.7417 ?        ?        57.57119 20.67608 0.000000       20.67608 
1 1 1 -28 9  22 o 55.13509 16.30200 341.9437       164.2029 411.6536       219.9268 254.1354       246.8306 57.79734 19.13462 47.80005 19.38999 9.997284       27.24161 
1 1 1 -28 9  23 o 36.05719 15.19790 90.97892       159.8458 184.4493       218.8150 -15.97595      234.0671 43.08511 17.94448 35.64695 16.45666 7.438160       24.34802 
1 1 1 -28 9  24 o 34.73335 14.84887 77.46037       156.3151 123.6046       190.1276 -18.79167      274.5942 38.64668 16.44531 37.00537 17.33123 1.641308       23.89184 
1 1 1 -28 9  25 o 44.09523 16.41461 228.1334       165.3282 275.9272       248.2233 190.0261       221.6462 46.34379 19.19107 42.12300 17.83303 4.220787       26.19760 
1 1 1 -28 9  26 o 32.58680 14.53613 39.10980       164.3188 -656.3713      264.6139 475.6165       209.6358 24.76459 12.53989 59.43082 18.59386 -34.66624      22.42723 
1 1 1 -28 9  27 o 38.28877 16.30585 153.8040       187.1843 226.7817       281.7267 96.12569       250.4604 42.28919 18.93644 37.48818 17.20287 4.801014       25.58373 
1 1 1 -28 9  28 o 52.44356 17.52778 390.1896       184.4084 619.1083       301.6327 253.5577       233.0311 56.26869 21.87403 42.15628 18.07896 14.11241       28.37820 
1 1 1 -28 10 1  o 32.04122 13.00234 61.38808       111.0355 104.8157       117.8404 -282.3872      331.5493 35.94139 13.75117 36.60142 17.66275 -0.6600304     22.38453 
1 1 1 -28 10 2  o 44.09138 13.72069 192.9361       114.3233 230.5250       121.7885 -85.78566      331.6363 47.80936 14.01230 41.09166 19.18017 6.717697       23.75339 
1 1 1 -28 10 3  o 37.58605 13.95291 122.5032       119.2953 122.5032       119.2953 0.000000       0.000000 37.58605 13.95291 ?        ?        0.000000       13.95291 
1 1 1 -28 10 4  o 58.61134 13.05982 339.2695       127.3693 339.2695       127.3693 0.000000       0.000000 58.61134 13.05982 ?        ?        0.000000       13.05982 
1 1 1 -28 10 5  o 50.98455 13.84498 260.7981       123.6504 260.7981       123.6504 0.000000       0.000000 50.98455 13.84498 ?        ?        0.000000       13.84498 
1 1 1 -28 10 6  o 78.80737 12.35812 595.0779       160.8419 595.0779       160.8419 0.000000       0.000000 78.80737 12.35812 ?        ?        0.000000       12.35812 
1 1 1 -28 10 7  o 65.77522 12.13808 415.0728       131.3144 415.0728       131.3144 0.000000       0.000000 65.77522 12.13808 ?        ?        0.000000       12.13808 
1 1 1 -28 10 8  o 65.44602 16.09306 442.0873       178.6003 442.0873       178.6003 0.000000       0.000000 65.44602 16.09306 ?        ?        0.000000       16.09306 
1 1 1 -28 10 9  o 60.32546 18.70646 395.2750       212.7152 395.2750       212.7152 0.000000       0.000000 60.32546 18.70646 ?        ?        0.000000       18.70646 
1 1 1 -28 10 10 o 33.86519 14.92298 2.332082       167.9964 2.332082       167.9964 0.000000       0.000000 33.86519 14.92298 ?        ?        0.000000       14.92298 
1 1 1 -28 10 11 o 34.74709 14.53105 55.87406       144.3201 55.87406       144.3201 0.000000       0.000000 34.74709 14.53105 ?        ?        0.000000       14.53105 
1 1 1 -28 10 12 o 77.32036 9.945134 550.9902       128.2686 617.9127       135.4798 -27.93168      398.4724 81.97719 9.876696 46.28017 21.40285 35.69702       23.57183 
1 1 1 -28 10 13 o 51.12341 14.39922 263.2760       131.0652 175.1969       145.2644 648.8936       303.9494 43.16160 15.49318 73.60233 22.27567 -30.44073      27.13383 
1 1 1 -28 10 14 o 114.3364 16.86083 1349.910       319.3237 0.000000       0.000000 1349.910       319.3237 ?        ?        114.3364 16.86083 0.000000       16.86083 
1 1 1 -28 10 15 o 43.24215 13.67281 184.1289       113.0572 146.2103       123.2117 386.1424       284.3911 39.82793 14.27172 57.73232 21.52116 -17.90439      25.82330 
1 1 1 -28 10 16 o 77.30008 11.15953 566.6216       143.0425 710.5460       166.0726 152.9561       281.5500 86.40055 11.54462 46.20751 19.84576 40.19304       22.95937 
1 1 1 -28 10 17 o 42.26595 15.78549 169.1170       153.1451 217.8625       170.4154 -35.47356      349.1278 46.22511 16.75552 42.59721 19.81465 3.627892       25.94933 
1 1 1 -28 10 18 o 69.02267 13.59128 481.2414       154.4955 545.0992       184.5226 331.5109       282.5515 71.96027 15.47568 53.25019 21.03046 18.71008       26.11086 
1 1 1 -28 10 19 o 61.94392 15.99482 418.0685       170.3641 277.5985       221.3143 622.3666       266.9006 49.68577 18.88416 70.50654 20.76597 -20.82077      28.06843 
1 1 1 -28 10 20 o 31.17605 14.31889 -43.57045      174.0455 196.3341       213.6326 -517.0906      300.1357 44.35926 18.02296 29.75776 14.82398 14.60150       23.33618 
1 1 1 -28 10 21 o 38.22257 14.48085 140.4883       129.8753 97.02606       154.5051 245.1537       239.7665 36.26260 15.08880 46.66945 19.04238 -10.40685      24.29576 
1 1 1 -28 10 22 o 62.38885 11.81601 392.8640       121.2778 321.7273       140.4516 601.3591       240.4515 53.86945 14.80872 68.28628 19.59612 -14.41683      24.56230 
1 1 1 -28 10 23 o 27.20339 12.45441 -32.38118      130.2349 -173.3413      161.4061 230.6149       220.4684 25.26920 12.22552 44.57763 18.23252 -19.30843      21.95195 
1 1 1 -28 10 24 o 31.92284 15.04055 -67.60919      212.2359 0.000000       0.000000 -67.60919      212.2359 ?        ?        31.92284 15.04055 0.000000       15.04055 
1 1 1 -28 10 25 o 34.80986 15.08419 87.79256       165.5348 169.1094       216.3019 -27.15485      257.1696 40.17228 17.32535 34.77977 16.43829 5.392506       23.88274 
1 1 1 -28 10 26 o 30.59011 13.73567 29.46690       149.3187 120.3331       220.7962 -47.11470      202.6995 37.34475 16.74029 30.93495 14.61276 6.409796       22.22094 
1 1 1 -28 10 27 o 30.02403 14.02747 -18.64481      178.0502 -22.03962      294.1737 -16.68221      223.6723 34.78260 16.74757 32.36749 15.30803 2.415115       22.68958 
1 1 1 -28 11 1  o 65.66084 10.28102 408.9820       111.4946 403.1878       118.3347 454.7998       332.7619 64.66163 11.11754 58.55478 22.91590 6.106846       25.47034 
1 1 1 -28 11 2  o 40.02304 13.54513 156.4349       110.1406 129.2519       120.3708 296.2697       273.0109 37.81992 14.02043 51.63620 20.58366 -13.81628      24.90501 
1 1 1 -28 11 3  o 25.54609 11.45637 -24.14155      103.5288 25.97267       111.9065 -321.7462      272.7060 29.51147 12.58877 31.86883 15.52682 -2.357363      19.98898 
1 1 1 -28 11 4  o 66.26747 12.15272 427.6131       132.4552 427.6131       132.4552 0.000000       0.000000 66.26747 12.15272 ?        ?        0.000000       12.15272 
1 1 1 -28 11 5  o 94.45441 9.462255 822.0182       150.5700 822.0182       150.5700 0.000000       0.000000 94.45441 9.462255 ?        ?        0.000000       9.462255 
1 1 1 -28 11 6  o 46.90879 14.08384 223.8110       121.8586 223.8110       121.8586 0.000000       0.000000 46.90879 14.08384 ?        ?        0.000000       14.08384 
1 1 1 -28 11 7  o 36.85499 14.26618 110.3041       127.8800 110.3041       127.8800 0.000000       0.000000 36.85499 14.26618 ?        ?        0.000000       14.26618 
1 1 1 -28 11 8  o 33.53806 14.74125 14.80901       162.9846 14.80901       162.9846 0.000000       0.000000 33.53806 14.74125 ?        ?        0.000000       14.74125 
1 1 1 -28 11 9  o 99.81851 11.69011 950.3203       195.4914 950.3203       195.4914 0.000000       0.000000 99.81851 11.69011 ?        ?        0.000000       11.69011 
1 1 1 -28 11 10 o 43.74682 17.43409 168.8814       195.8066 133.7160       205.0295 533.5790       660.2756 42.15576 17.44796 61.27177 28.04851 -19.11601      33.03256 
1 1 1 -28 11 11 o 53.47072 16.56071 307.2246       166.7718 288.2853       176.3710 467.1441       512.5029 51.71177 17.13614 59.54397 26.15676 -7.832207      31.27017 
1 1 1 -28 11 12 o 43.03378 19.24957 66.55198       290.3048 0.000000       0.000000 66.55198       290.3048 ?        ?        43.03378 19.24957 0.000000       19.24957 
1 1 1 -28 11 13 o 125.8730 8.470010 1437.854       181.0025 1464.829       220.2523 1381.740       317.6700 125.2166 10.39443 114.2648 16.78014 10.95177       19.73873 
1 1 1 -28 11 14 o 54.00296 12.24322 289.1846       110.3020 374.0021       120.1590 -165.0796      278.0789 61.90387 11.79747 35.45161 16.85427 26.45226       20.57296 
1 1 1 -28 11 15 o 52.77408 13.98390 288.5727       128.0439 385.8882       142.4932 -119.5832      291.8207 61.27489 13.93296 37.16375 17.54840 24.11114       22.40700 
1 1 1 -28 11 16 o 47.52886 14.37553 237.0800       126.6156 220.8696       141.7705 300.9732       281.4598 45.74685 15.36804 51.07621 20.71022 -5.329369      25.78934 
1 1 1 -28 11 17 o 26.88704 12.17719 -29.65783      120.3062 -25.36115      135.0403 -46.18709      264.8645 28.59461 12.93038 37.13055 17.26738 -8.535934      21.57214 
1 1 1 -28 11 18 o 67.97969 10.54165 445.7106       118.4115 397.3037       132.7701 633.9008       261.7850 62.39629 12.88726 70.33002 20.52399 -7.933731      24.23459 
1 1 1 -28 11 19 o 24.26357 11.10947 -40.52782      103.6574 -5.216463      114.7200 -197.5820      241.9394 27.34976 12.17686 31.34770 15.11750 -3.997944      19.41171 
1 1 1 -28 11 20 o 39.20204 14.89415 153.7185       137.6406 -14.67369      169.3569 481.3589       236.2330 31.48030 14.33159 60.32994 19.82449 -28.84964      24.46231 
1 1 1 -28 11 21 o 31.91705 13.73644 49.70415       135.3986 83.64376       168.6887 -11.75992      227.0092 35.73943 15.35597 34.97504 16.16757 0.7643890      22.29790 
1 1 1 -28 11 22 o 54.89662 14.24550 333.8956       134.6985 356.8943       154.6103 261.4594       274.3878 55.38896 15.65273 45.92827 19.65501 9.460686       25.12623 
1 1 1 -28 11 23 o 36.50259 14.09466 134.7889       124.5821 82.65257       152.2785 240.3168       216.6467 34.13098 14.62529 43.98425 18.04146 -9.853268      23.22484 
1 1 1 -28 11 24 o 23.95204 11.39470 -93.72921      127.5098 -41.33830      147.6770 -247.2151      252.7663 27.70098 12.88597 29.43213 14.46590 -1.731146      19.37293 
1 1 1 -28 11 25 o 25.07485 12.03468 -114.2888      149.1166 -255.1394      209.2967 30.91356       212.5054 26.28915 12.96776 33.70576 15.60253 -7.416611      20.28797 
1 1 1 -28 12 3  o 28.13651 11.70320 37.32392       92.89930 -11.05826      98.85797 402.7580       271.6899 25.51862 11.33576 56.18673 21.01733 -30.66811      23.87944 
1 1 1 -28 12 4  o 32.42162 13.00869 73.61585       109.7912 16.78190       116.0285 560.0031       339.4314 29.06879 12.61256 62.65171 23.48078 -33.58293      26.65378 
1 1 1 -28 12 5  o 49.53124 14.75191 259.4248       134.0920 259.4248       134.0920 0.000000       0.000000 49.53124 14.75191 ?        ?        0.000000       14.75191 
1 1 1 -28 12 6  f 69.16328 12.66809 475.3234       144.1059 475.3234       144.1059 0.000000       0.000000 69.16328 12.66809 ?        ?        0.000000       12.66809 
1 1 1 -28 12 7  o 44.96014 14.81613 208.7504       131.9145 208.7504       131.9145 0.000000       0.000000 44.96014 14.81613 ?        ?        0.000000       14.81613 
1 1 1 -28 12 8  o 39.40381 14.49016 146.1783       128.1099 146.1783       128.1099 0.000000       0.000000 39.40381 14.49016 ?        ?        0.000000       14.49016 
1 1 1 -28 12 9  o 95.24028 9.534470 842.9005       152.9839 842.9315       159.8271 842.5612       528.4759 94.84971 10.01927 68.47249 28.14260 26.37722       29.87293 
1 1 1 -28 12 10 o 52.51090 24.12470 268.2771       494.5291 0.000000       0.000000 268.2771       494.5291 ?        ?        52.51090 24.12470 0.000000       24.12470 
1 1 1 -28 12 11 o 64.15165 15.56412 441.8333       168.7649 519.1393       176.3038 -404.5425      583.3600 70.09715 15.16892 43.58231 21.52632 26.51484       26.33398 
1 1 1 -28 12 12 o 95.11223 12.79355 898.4857       202.5221 858.5197       224.1927 1075.753       472.1607 90.69899 14.99922 79.33524 27.98996 11.36375       31.75554 
1 1 1 -28 12 13 o 70.48354 16.12337 542.1537       189.8542 452.6019       210.6429 929.8470       438.2822 61.75756 18.51113 74.52699 26.89276 -12.76943      32.64786 
1 1 1 -28 12 14 o 49.53577 16.61073 274.6839       165.6223 94.86375       204.5469 617.0194       282.2277 39.03350 16.84108 68.09237 21.61046 -29.05887      27.39770 
1 1 1 -28 12 15 o 35.68896 15.17753 75.77190       161.7651 29.94598       202.3985 156.8124       269.1551 35.94947 16.07739 43.80536 19.10615 -7.855888      24.97053 
1 1 1 -28 12 16 o 31.79144 14.18852 7.744194       156.7663 -6.182786      181.5404 48.58105       310.8644 33.00576 14.95255 41.31124 19.03396 -8.305481      24.20476 
1 1 1 -28 12 17 o 23.41676 10.97364 -76.09671      110.3676 67.30862       123.6345 -638.7723      244.8986 32.50721 13.50944 24.28268 12.26868 8.224524       18.24898 
1 1 1 -28 12 18 o 31.73302 13.25782 61.64383       119.9737 64.33635       131.7502 48.57036       290.3137 32.72056 13.79497 39.93721 18.39835 -7.216648      22.99566 
1 1 1 -28 12 19 o 75.71445 10.32853 557.7748       130.0584 510.7647       153.8476 675.5121       243.4735 69.61542 13.42808 72.75856 19.28476 -3.143143      23.49926 
1 1 1 -28 12 20 o 34.00893 13.54030 101.3023       118.0054 160.6360       138.8671 -52.88104      223.8555 39.12187 14.93725 33.11743 15.55429 6.004440       21.56519 
1 1 1 -28 12 21 o 78.53269 10.71688 614.8770       139.9690 663.4757       161.7625 470.0862       279.2131 79.96613 12.23505 54.41943 21.07599 25.54671       24.36994 
1 1 1 -28 12 22 f 34.31563 13.63243 112.7426       119.3748 184.6499       144.0703 -44.76041      213.2222 40.08878 15.23639 31.96298 15.06433 8.125799       21.42619 
1 1 1 -28 12 23 o 36.39461 14.05998 141.7636       124.0178 93.35562       142.0567 296.8849       254.2957 33.61992 14.25732 44.96885 19.07312 -11.34892      23.81292 
1 1 1 -28 13 6  o 35.38692 14.74467 85.50522       147.8267 143.1301       151.7785 -978.0996      652.0716 39.29716 15.44737 39.28448 19.86842 0.1267242E-01  25.16695 
1 1 1 -28 13 7  o 101.6362 9.361670 967.5528       160.6549 960.5857       166.1344 1067.976       630.7397 100.8821 9.765935 67.07721 29.25245 33.80489       30.83958 
1 1 1 -28 13 8  o 66.39449 27.31238 863.9963       498.2951 0.000000       0.000000 863.9963       498.2951 ?        ?        66.39449 27.31238 0.000000       27.31238 
1 1 1 -28 13 9  o 28.69048 12.63735 7.379179       120.3506 54.21516       124.3227 -690.6459      479.9501 31.84807 13.41238 36.15315 18.12019 -4.305079      22.54403 
1 1 1 -28 13 10 o 32.61381 13.58762 64.84396       125.5158 64.84396       125.5158 0.000000       0.000000 32.61381 13.58762 ?        ?        0.000000       13.58762 
1 1 1 -28 13 11 f 55.74670 13.68988 327.5508       129.3715 290.2952       135.1350 736.5768       447.7622 51.70543 14.64140 63.68167 26.00762 -11.97625      29.84572 
1 1 1 -28 13 12 o 47.36074 14.09958 240.7299       122.5141 176.5128       130.2347 734.6838       361.1974 41.20661 14.68266 67.76051 24.41920 -26.55390      28.49347 
1 1 1 -28 13 13 o 47.12363 15.51301 247.6914       144.6292 270.9828       167.9840 180.9610       284.3362 48.44347 16.72016 44.37623 19.48857 4.067238       25.67816 
1 1 1 -28 13 14 o 30.02991 13.33590 9.655504       136.7265 -30.03012      159.5145 119.5529       265.4466 30.10725 13.78374 41.40623 18.47245 -11.29898      23.04827 
1 1 1 -28 13 15 o 37.24015 15.58963 111.6988       166.3546 241.8512       199.1683 -188.5989      302.5312 45.58243 17.75934 34.56955 16.72813 11.01288       24.39723 
1 1 1 -28 13 16 o 75.96812 12.99927 600.4786       162.5744 623.7690       212.5597 567.6500       252.3590 72.23238 17.43193 64.03847 20.44676 8.193909       26.86898 
1 1 1 -28 13 17 f 35.91700 14.96459 107.0512       152.2558 280.7774       200.7859 -128.0078      233.5548 47.19934 17.97558 31.67867 15.16629 15.52068       23.51888 
1 1 1 -28 13 18 o 46.54252 15.60977 256.7827       146.2632 239.9827       170.7176 303.1478       283.6083 44.55149 16.66114 46.87301 20.01890 -2.321522      26.04515 
1 1 1 -28 13 19 o 41.56945 15.00060 198.2478       136.3657 136.6661       171.8846 302.8402       224.0066 37.73170 15.82406 47.06761 18.68198 -9.335907      24.48300 
1 1 1 -28 13 20 o 69.45053 11.13631 491.5373       127.6115 491.5373       127.6115 0.000000       0.000000 69.45053 11.13631 ?        ?        0.000000       11.13631 
1 1 1 -27 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  2  o 78.74916 15.79523 604.1067       188.3782 604.1067       188.3782 604.1067       188.3782 78.74916 15.79523 78.74916 15.79523 0.000000       0.000000 
1 1 1 -27 0  3  o 75.10195 15.21935 548.5336       172.8239 548.5336       172.8239 548.5336       172.8239 75.10195 15.21935 75.10195 15.21935 0.000000       0.000000 
1 1 1 -27 0  4  o 98.70325 12.54211 886.1597       202.0947 886.1597       202.0947 886.1597       202.0947 98.70325 12.54211 98.70325 12.54211 -0.000000      0.000000 
1 1 1 -27 0  5  f 107.2450 14.37374 1055.028       249.9655 1055.028       249.9655 1055.028       249.9655 107.2450 14.37374 107.2450 14.37374 -0.000000      0.000000 
1 1 1 -27 0  6  o 149.6674 10.26005 1961.368       259.3983 1961.368       259.3983 1961.368       259.3983 149.6674 10.26005 149.6674 10.26005 -0.000000      0.000000 
1 1 1 -27 0  7  o 32.73393 20.40401 71.17282       231.7572 71.17282       231.7572 71.17282       231.7572 32.73393 20.40401 32.73393 20.40401 -0.000000      0.000000 
1 1 1 -27 0  8  o 50.99961 27.59085 347.9706       335.8864 347.9706       335.8864 347.9706       335.8864 50.99961 27.59085 50.99961 27.59085 -0.000000      0.000000 
1 1 1 -27 0  9  o 129.8890 14.85596 1526.819       318.3683 1526.819       318.3683 1526.819       318.3683 129.8890 14.85596 129.8890 14.85596 -0.000000      0.000000 
1 1 1 -27 0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  25 o 52.46989 26.85667 425.8472       304.7339 425.8472       304.7339 425.8472       304.7339 52.46989 26.85667 52.46989 26.85667 -0.000000      0.000000 
1 1 1 -27 0  26 o 33.29348 21.25297 89.37921       268.6779 89.37921       268.6779 89.37921       268.6779 33.29348 21.25297 33.29348 21.25297 0.000000       0.000000 
1 1 1 -27 0  27 o 21.92290 15.82489 -464.5961      303.0116 -464.5961      303.0116 -464.5961      303.0116 21.92290 15.82489 21.92290 15.82489 -0.000000      0.000000 
1 1 1 -27 0  28 o 86.48853 26.16318 936.2763       337.1042 936.2763       337.1042 936.2763       337.1042 86.48853 26.16318 86.48853 26.16318 -0.000000      0.000000 
1 1 1 -27 0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  30 o 30.78329 19.54019 109.2172       223.2662 109.2172       223.2662 109.2172       223.2662 30.78329 19.54019 30.78329 19.54019 0.000000       0.000000 
1 1 1 -27 0  31 o 61.58907 22.90569 534.5934       224.0202 534.5934       224.0202 534.5934       224.0202 61.58907 22.90569 61.58907 22.90569 -0.000000      0.000000 
1 1 1 -27 0  32 o 37.84428 22.33316 271.0702       247.1169 271.0702       247.1169 271.0702       247.1169 37.84428 22.33316 37.84428 22.33316 -0.000000      0.000000 
1 1 1 -27 0  33 o 26.06548 17.62779 18.10278       230.7903 18.10278       230.7903 18.10278       230.7903 26.06548 17.62779 26.06548 17.62779 -0.000000      0.000000 
1 1 1 -27 0  34 o 25.34218 17.24931 15.70149       228.3603 15.70149       228.3603 15.70149       228.3603 25.34218 17.24931 25.34218 17.24931 0.000000       0.000000 
1 1 1 -27 1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  2  o 55.16678 12.67178 281.9968       116.8630 259.1681       142.4079 329.0704       204.4950 52.62921 15.07429 58.89154 18.35456 -6.262333      23.75130 
1 1 1 -27 1  3  o 154.5373 6.301185 2061.113       166.2867 2076.756       223.9683 2041.897       248.2283 154.2146 8.537973 152.4733 9.582306 1.741318       12.83423 
1 1 1 -27 1  4  o 219.2578 6.499241 4148.336       243.3434 4075.124       323.7248 4243.447       368.9777 216.3866 8.760798 220.2818 9.808886 -3.895142      13.15165 
1 1 1 -27 1  5  o 147.8944 6.955915 1888.903       175.6742 1908.349       239.7340 1866.351       258.1708 147.6265 9.560995 145.6344 10.45053 1.992065       14.16426 
1 1 1 -27 1  6  o 81.68626 13.14589 604.8453       177.1543 691.0088       235.7687 493.1195       268.4734 86.08467 16.64036 71.56290 20.75609 14.52177       26.60295 
1 1 1 -27 1  7  o 168.1010 7.802694 2444.708       223.9839 2148.125       272.2538 3065.885       394.0104 156.5269 10.24199 185.9924 12.47769 -29.46553      16.14284 
1 1 1 -27 1  8  o 74.92435 14.20553 514.3500       175.1020 520.6174       217.4838 502.8006       295.2300 74.35852 17.43081 72.36320 21.96575 1.995316       28.04153 
1 1 1 -27 1  9  o 136.9821 13.23738 1674.307       305.7885 1674.307       305.7885 0.000000       0.000000 136.9821 13.23738 ?        ?        0.000000       13.23738 
1 1 1 -27 1  10 o 194.9669 10.53706 3329.815       349.5158 3329.815       349.5158 0.000000       0.000000 194.9669 10.53706 ?        ?        0.000000       10.53706 
1 1 1 -27 1  11 o 217.9180 10.40961 4147.507       387.3732 4147.507       387.3732 0.000000       0.000000 217.9180 10.40961 ?        ?        0.000000       10.40961 
1 1 1 -27 1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 1  25 o 60.92971 18.98112 399.2418       218.7228 728.9848       326.7589 131.5626       294.4062 78.73029 22.91693 47.37094 20.31818 31.35936       30.62701 
1 1 1 -27 1  26 o 53.84415 18.73033 310.1639       211.0025 147.9038       350.5204 402.3764       264.2422 49.14720 21.60970 59.35967 20.93948 -10.21247      30.09054 
1 1 1 -27 1  27 o 43.74081 17.69776 161.9214       205.0583 262.1536       324.4227 95.23502       264.6221 51.56133 21.68781 43.15160 18.87938 8.409729       28.75400 
1 1 1 -27 1  28 o 54.89312 21.87499 370.6234       308.2504 0.000000       0.000000 370.6234       308.2504 ?        ?        54.89312 21.87499 0.000000       21.87499 
1 1 1 -27 1  29 o 39.49966 16.48340 123.9651       185.1469 -106.2215      309.6618 252.0371       230.9802 37.61385 17.85406 47.50916 18.93475 -9.895306      26.02483 
1 1 1 -27 1  30 o 44.62611 16.85697 227.5328       175.6654 234.5083       281.9375 223.1065       224.5872 45.64429 19.73246 44.56204 18.33430 1.082253       26.93541 
1 1 1 -27 1  31 o 29.94864 14.68498 -253.6646      255.6650 -253.6646      255.6650 0.000000       0.000000 29.94864 14.68498 ?        ?        0.000000       14.68498 
1 1 1 -27 1  32 o 29.43322 13.46696 -5.428890      151.9477 -279.7083      244.7479 166.5897       193.8251 28.36154 13.99618 39.19655 16.63977 -10.83501      21.74339 
1 1 1 -27 1  33 o 81.21571 11.87539 703.8024       159.8322 786.9603       252.5208 648.2202       206.4494 72.70198 19.80323 69.88653 17.37352 2.815453       26.34401 
1 1 1 -27 1  34 o 23.52639 11.42098 -131.2932      143.9690 -236.7104      178.9911 61.88483       242.3006 23.81598 11.79248 34.07257 16.05864 -10.25660      19.92341 
1 1 1 -27 2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  3  o 107.7789 7.346823 1011.368       134.4119 1074.749       171.8796 911.5897       215.6584 110.5310 9.189533 100.3018 12.88908 10.22920       15.82959 
1 1 1 -27 2  4  o 84.98552 10.58585 643.5871       150.2986 650.1641       185.0268 630.8289       257.7006 84.46159 13.26562 80.79179 18.99793 3.669800       23.17107 
1 1 1 -27 2  5  o 36.66041 14.15308 84.38943       125.5994 195.0418       143.1925 -284.7393      261.5344 47.02716 15.43356 34.42556 16.36026 12.60160       22.49118 
1 1 1 -27 2  6  o 59.61996 15.53096 332.1055       159.7011 218.1697       180.3317 746.3386       343.8463 50.37247 17.32731 86.76003 22.88037 -36.38755      28.70099 
1 1 1 -27 2  7  o 66.33856 14.43582 407.1359       158.8877 322.2862       188.8216 612.9386       294.0709 58.82170 17.50236 79.33601 21.27068 -20.51431      27.54586 
1 1 1 -27 2  8  o 28.38530 13.51574 -215.6480      180.2199 -215.6480      180.2199 0.000000       0.000000 28.38530 13.51574 ?        ?        0.000000       13.51574 
1 1 1 -27 2  9  o 105.9212 15.20628 1022.839       267.1591 1022.839       267.1591 0.000000       0.000000 105.9212 15.20628 ?        ?        0.000000       15.20628 
1 1 1 -27 2  10 o 224.1825 9.291018 4370.926       355.6861 4370.926       355.6861 0.000000       0.000000 224.1825 9.291018 ?        ?        0.000000       9.291018 
1 1 1 -27 2  11 o 180.5366 9.653708 2846.675       296.5412 2846.675       296.5412 0.000000       0.000000 180.5366 9.653708 ?        ?        0.000000       9.653708 
1 1 1 -27 2  12 o 158.3942 10.21563 2199.833       274.8428 2199.833       274.8428 0.000000       0.000000 158.3942 10.21563 ?        ?        0.000000       10.21563 
1 1 1 -27 2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  25 o 110.1334 16.58257 1225.500       302.1986 0.000000       0.000000 1225.500       302.1986 ?        ?        110.1334 16.58257 0.000000       16.58257 
1 1 1 -27 2  26 o 32.64259 16.14150 -533.0076      331.2842 0.000000       0.000000 -533.0076      331.2842 ?        ?        32.64259 16.14150 0.000000       16.14150 
1 1 1 -27 2  27 o 58.41716 18.55255 386.5630       207.9801 306.8610       338.9281 434.7023       263.4041 53.28419 22.27446 60.01339 20.92441 -6.729202      30.56113 
1 1 1 -27 2  28 o 53.76836 18.81976 336.2611       213.1794 241.2916       314.3239 417.1535       290.0941 49.21275 21.04807 57.18375 21.64748 -7.970993      30.19329 
1 1 1 -27 2  29 o 68.94853 16.08754 527.2145       185.9531 592.2888       313.5001 491.8920       230.9716 63.78826 22.77487 62.49895 19.51117 1.289307       29.98967 
1 1 1 -27 2  30 o 61.20084 16.75610 445.0143       180.2460 565.3679       246.2409 306.0912       264.5562 64.42840 20.15105 48.37341 19.90029 16.05499       28.32113 
1 1 1 -27 2  31 o 20.27465 10.11621 -297.1809      142.1682 -331.5030      208.1481 -267.1681      194.6430 25.33778 12.57573 25.52684 12.57508 -0.1890659     17.78431 
1 1 1 -27 2  32 o 42.33555 17.62180 228.6625       210.8371 228.6625       210.8371 0.000000       0.000000 42.33555 17.62180 ?        ?        0.000000       17.62180 
1 1 1 -27 2  33 o 28.73162 13.01187 16.17955       137.3417 8.338429       193.5841 24.12629       194.8835 31.58086 14.71171 32.17162 14.90972 -0.5907612     20.94599 
1 1 1 -27 2  34 o 27.19854 12.70350 -21.34114      145.8501 -39.19004      182.9281 9.805078       241.6447 28.82829 13.69508 32.61615 15.56336 -3.787853      20.73098 
1 1 1 -27 3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  3  o 94.16144 8.117397 777.2078       129.2490 810.7607       158.4950 710.6021       223.3091 95.61543 9.847899 87.08039 15.58948 8.535042       18.43944 
1 1 1 -27 3  4  o 71.12635 11.37101 457.3620       133.4599 473.2820       146.4861 379.6032       323.7430 72.04253 12.35165 64.27945 23.12335 7.763077       26.21550 
1 1 1 -27 3  5  o 45.01162 14.40386 180.5431       125.1821 159.3795       139.9010 265.5423       280.3716 43.71267 15.24891 57.04547 21.34814 -13.33280      26.23494 
1 1 1 -27 3  6  o 70.72996 13.35731 458.8791       155.4200 458.8791       155.4200 0.000000       0.000000 70.72996 13.35731 ?        ?        0.000000       13.35731 
1 1 1 -27 3  7  o 85.01744 14.56759 663.6071       203.8846 663.6071       203.8846 0.000000       0.000000 85.01744 14.56759 ?        ?        0.000000       14.56759 
1 1 1 -27 3  8  f 99.87292 14.24237 906.8932       236.0219 906.8932       236.0219 0.000000       0.000000 99.87292 14.24237 ?        ?        0.000000       14.24237 
1 1 1 -27 3  9  o 72.55341 18.60961 502.6453       231.6833 502.6453       231.6833 0.000000       0.000000 72.55341 18.60961 ?        ?        0.000000       18.60961 
1 1 1 -27 3  10 o 80.79714 15.51687 604.7603       206.3106 604.7603       206.3106 0.000000       0.000000 80.79714 15.51687 ?        ?        0.000000       15.51687 
1 1 1 -27 3  11 o 151.9726 8.731249 2012.767       225.6396 2012.767       225.6396 0.000000       0.000000 151.9726 8.731249 ?        ?        0.000000       8.731249 
1 1 1 -27 3  12 o 24.96866 12.24683 -339.1531      178.2464 -339.1531      178.2464 0.000000       0.000000 24.96866 12.24683 ?        ?        0.000000       12.24683 
1 1 1 -27 3  13 o 64.60838 18.09094 396.3643       207.5193 396.3643       207.5193 0.000000       0.000000 64.60838 18.09094 ?        ?        0.000000       18.09094 
1 1 1 -27 3  14 o 91.71867 14.85288 773.4107       224.6782 773.4107       224.6782 0.000000       0.000000 91.71867 14.85288 ?        ?        0.000000       14.85288 
1 1 1 -27 3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  24 o 36.81108 17.38378 -193.8013      286.5139 0.000000       0.000000 -193.8013      286.5139 ?        ?        36.81108 17.38378 0.000000       17.38378 
1 1 1 -27 3  25 o 70.09647 22.03172 578.9952       293.9439 0.000000       0.000000 578.9952       293.9439 ?        ?        70.09647 22.03172 0.000000       22.03172 
1 1 1 -27 3  26 o 30.90261 15.35585 -568.2570      313.9446 0.000000       0.000000 -568.2570      313.9446 ?        ?        30.90261 15.35585 0.000000       15.35585 
1 1 1 -27 3  27 o 32.56205 15.05589 -72.28687      197.0455 9.786142       342.7082 -112.8181      240.8346 43.32105 19.96910 34.50637 16.18316 8.814678       25.70330 
1 1 1 -27 3  28 o 91.25588 14.63371 861.1236       220.3368 952.1633       330.0841 787.9564       295.9152 86.02805 22.28859 78.94801 21.40938 7.080048       30.90538 
1 1 1 -27 3  29 o 42.69592 16.11768 193.0785       160.5308 143.3455       240.5319 233.0225       215.5643 41.87608 18.16455 45.71089 18.26783 -3.834812      25.76169 
1 1 1 -27 3  30 o 45.97790 17.01214 255.1025       177.0536 458.4972       248.3046 44.72340       252.5320 56.58677 20.26194 37.53628 17.24298 19.05049       26.60576 
1 1 1 -27 3  31 o 38.17657 15.59637 151.0317       161.0902 443.2362       275.6769 -0.4781724     198.5077 52.49089 20.75956 32.75504 15.13335 19.73585       25.69003 
1 1 1 -27 3  32 o 41.15830 15.74644 206.3437       154.5139 370.4531       258.0739 114.6457       192.9111 48.18297 19.71891 36.43116 16.02466 11.75181       25.40915 
1 1 1 -27 3  33 o 28.61304 13.50731 -41.72058      172.6891 85.57816       238.5695 -181.8350      250.2905 35.35367 16.42333 29.44023 14.45464 5.913443       21.87835 
1 1 1 -27 4  1  o 76.10534 9.665953 517.7838       122.7877 588.1102       156.5749 405.4507       197.8868 80.37361 11.75545 64.42040 17.52355 15.95321       21.10131 
1 1 1 -27 4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 4  4  f 53.64383 13.31672 268.5031       121.4215 325.5234       134.4676 16.68507       282.5835 59.03004 13.61710 45.14639 19.63583 13.88366       23.89543 
1 1 1 -27 4  5  o 107.3955 9.343369 1016.434       169.6456 1016.434       169.6456 0.000000       0.000000 107.3955 9.343369 ?        ?        0.000000       9.343369 
1 1 1 -27 4  6  o 102.4655 9.783980 927.3978       169.1161 927.3978       169.1161 0.000000       0.000000 102.4655 9.783980 ?        ?        0.000000       9.783980 
1 1 1 -27 4  7  o 150.0369 8.579201 1964.914       218.8974 1964.914       218.8974 0.000000       0.000000 150.0369 8.579201 ?        ?        0.000000       8.579201 
1 1 1 -27 4  8  o 90.45763 11.06331 729.8405       167.3343 729.8405       167.3343 0.000000       0.000000 90.45763 11.06331 ?        ?        0.000000       11.06331 
1 1 1 -27 4  9  o 248.4160 9.309999 5382.278       394.9399 5382.278       394.9399 0.000000       0.000000 248.4160 9.309999 ?        ?        0.000000       9.309999 
1 1 1 -27 4  10 o 67.40795 16.40216 428.8630       187.0107 428.8630       187.0107 0.000000       0.000000 67.40795 16.40216 ?        ?        0.000000       16.40216 
1 1 1 -27 4  11 o 60.45123 14.00156 339.2732       141.6980 339.2732       141.6980 0.000000       0.000000 60.45123 14.00156 ?        ?        0.000000       14.00156 
1 1 1 -27 4  12 o 165.4450 8.468368 2385.427       238.4499 2385.427       238.4499 0.000000       0.000000 165.4450 8.468368 ?        ?        0.000000       8.468368 
1 1 1 -27 4  13 o 45.03785 17.49848 134.1146       192.9464 134.1146       192.9464 0.000000       0.000000 45.03785 17.49848 ?        ?        0.000000       17.49848 
1 1 1 -27 4  14 o 49.38321 19.19056 169.4262       232.1010 169.4262       232.1010 0.000000       0.000000 49.38321 19.19056 ?        ?        0.000000       19.19056 
1 1 1 -27 4  15 o 72.24070 19.73787 511.2464       250.4067 511.2464       250.4067 0.000000       0.000000 72.24070 19.73787 ?        ?        0.000000       19.73787 
1 1 1 -27 4  16 o 156.8417 11.57707 2194.198       307.8799 2194.198       307.8799 0.000000       0.000000 156.8417 11.57707 ?        ?        0.000000       11.57707 
1 1 1 -27 4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 4  20 o 55.14016 22.60460 224.4475       339.8565 0.000000       0.000000 224.4475       339.8565 ?        ?        55.14016 22.60460 0.000000       22.60460 
1 1 1 -27 4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 4  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 4  23 f 33.76993 16.48964 -432.3994      312.4542 0.000000       0.000000 -432.3994      312.4542 ?        ?        33.76993 16.48964 0.000000       16.48964 
1 1 1 -27 4  24 o 123.3669 15.67477 1508.563       322.7644 0.000000       0.000000 1508.563       322.7644 ?        ?        123.3669 15.67477 0.000000       15.67477 
1 1 1 -27 4  25 o 54.13766 22.23882 296.8249       329.7820 0.000000       0.000000 296.8249       329.7820 ?        ?        54.13766 22.23882 0.000000       22.23882 
1 1 1 -27 4  26 o 62.36579 20.65453 463.9781       256.2448 0.000000       0.000000 463.9781       256.2448 ?        ?        62.36579 20.65453 0.000000       20.65453 
1 1 1 -27 4  27 o 35.04215 16.23668 -66.20948      230.9403 0.000000       0.000000 -66.20948      230.9403 ?        ?        35.04215 16.23668 0.000000       16.23668 
1 1 1 -27 4  28 o 59.53201 17.71449 414.6479       193.4234 140.6313       269.0834 707.6093       278.2297 43.35191 19.00061 74.25613 21.00237 -30.90421      28.32177 
1 1 1 -27 4  29 o 42.75595 16.65559 197.1552       175.1604 -258.3651      299.7390 433.3847       215.8522 33.17854 16.18977 58.05646 18.94387 -24.87792      24.91945 
1 1 1 -27 4  30 o 49.15952 16.70527 298.9167       167.5349 195.7220       291.2144 349.9667       204.8244 43.04071 19.26425 51.19106 18.39491 -8.150352      26.63614 
1 1 1 -27 4  31 o 36.95427 15.51225 131.5749       165.4244 -233.2994      233.9184 496.6179       233.9724 28.69463 14.06535 57.82459 19.74119 -29.12996      24.23941 
1 1 1 -27 4  32 o 41.43030 16.16282 218.5974       165.1349 27.68825       263.1198 342.6607       212.1103 35.28334 16.66129 47.77574 18.40693 -12.49239      24.82768 
1 1 1 -27 4  33 o 23.63366 11.52022 -152.3530      150.6501 81.64025       239.2356 -306.1126      193.9301 34.87926 16.28381 23.73828 11.83974 11.14098       20.13310 
1 1 1 -27 5  1  o 38.86858 13.22848 130.5477       105.0570 114.2246       126.2469 167.3046       189.4476 38.62716 14.35086 46.16550 17.48957 -7.538345      22.62371 
1 1 1 -27 5  2  o 86.55804 8.830466 663.5237       128.6968 623.7740       139.8545 883.2439       328.8096 83.47625 10.01063 93.19711 21.14558 -9.720856      23.39548 
1 1 1 -27 5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 5  5  o 86.93121 10.30896 675.2057       150.0536 675.2057       150.0536 0.000000       0.000000 86.93121 10.30896 ?        ?        0.000000       10.30896 
1 1 1 -27 5  6  o 141.9640 8.371688 1763.219       202.0537 1763.219       202.0537 0.000000       0.000000 141.9640 8.371688 ?        ?        0.000000       8.371688 
1 1 1 -27 5  7  o 170.9289 8.255547 2544.371       240.9702 2544.371       240.9702 0.000000       0.000000 170.9289 8.255547 ?        ?        0.000000       8.255547 
1 1 1 -27 5  8  o 128.3903 8.789049 1444.542       191.5382 1444.542       191.5382 0.000000       0.000000 128.3903 8.789049 ?        ?        0.000000       8.789049 
1 1 1 -27 5  9  o 99.58064 10.14670 879.0836       170.1341 879.0836       170.1341 0.000000       0.000000 99.58064 10.14670 ?        ?        0.000000       10.14670 
1 1 1 -27 5  10 o 124.4727 10.29324 1370.020       216.8273 1370.020       216.8273 0.000000       0.000000 124.4727 10.29324 ?        ?        0.000000       10.29324 
1 1 1 -27 5  11 o 132.7295 11.22266 1566.509       251.9858 1566.509       251.9858 0.000000       0.000000 132.7295 11.22266 ?        ?        0.000000       11.22266 
1 1 1 -27 5  12 o 103.6653 10.63476 955.5911       185.5962 955.5911       185.5962 0.000000       0.000000 103.6653 10.63476 ?        ?        0.000000       10.63476 
1 1 1 -27 5  13 f 82.80977 11.06711 615.6163       152.5857 615.6163       152.5857 0.000000       0.000000 82.80977 11.06711 ?        ?        0.000000       11.06711 
1 1 1 -27 5  14 f 44.40932 15.22086 170.1371       139.0954 170.1371       139.0954 0.000000       0.000000 44.40932 15.22086 ?        ?        0.000000       15.22086 
1 1 1 -27 5  15 o 66.65047 15.35775 421.5619       171.2032 421.5619       171.2032 0.000000       0.000000 66.65047 15.35775 ?        ?        0.000000       15.35775 
1 1 1 -27 5  16 o 54.11719 17.84766 273.4411       191.4053 273.4411       191.4053 0.000000       0.000000 54.11719 17.84766 ?        ?        0.000000       17.84766 
1 1 1 -27 5  17 o 176.5341 12.23125 2814.526       366.4513 2814.526       366.4513 0.000000       0.000000 176.5341 12.23125 ?        ?        0.000000       12.23125 
1 1 1 -27 5  18 o 146.0713 13.99989 1974.047       344.9361 1974.047       344.9361 0.000000       0.000000 146.0713 13.99989 ?        ?        0.000000       13.99989 
1 1 1 -27 5  19 o 45.10148 21.17574 -230.0751      414.3105 0.000000       0.000000 -230.0751      414.3105 ?        ?        45.10148 21.17574 0.000000       21.17574 
1 1 1 -27 5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 5  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 5  22 o 32.65932 16.08561 -525.5416      317.9806 0.000000       0.000000 -525.5416      317.9806 ?        ?        32.65932 16.08561 0.000000       16.08561 
1 1 1 -27 5  23 o 70.35503 24.61313 605.1147       364.6071 0.000000       0.000000 605.1147       364.6071 ?        ?        70.35503 24.61313 0.000000       24.61313 
1 1 1 -27 5  24 o 70.26117 21.39605 576.0081       279.7879 0.000000       0.000000 576.0081       279.7879 ?        ?        70.26117 21.39605 0.000000       21.39605 
1 1 1 -27 5  25 o 35.01764 16.38992 -119.2687      244.9115 0.000000       0.000000 -119.2687      244.9115 ?        ?        35.01764 16.38992 0.000000       16.38992 
1 1 1 -27 5  26 o 71.15585 19.75202 594.6188       248.5042 0.000000       0.000000 594.6188       248.5042 ?        ?        71.15585 19.75202 0.000000       19.75202 
1 1 1 -27 5  27 o 73.66217 21.41885 694.2792       285.5706 0.000000       0.000000 694.2792       285.5706 ?        ?        73.66217 21.41885 0.000000       21.41885 
1 1 1 -27 5  28 o 40.64557 17.01616 144.5656       198.2075 451.5137       301.5354 -88.96354      263.0125 56.24017 21.86840 35.23758 16.64525 21.00259       27.48256 
1 1 1 -27 5  29 o 39.81124 16.15256 159.6475       171.3244 197.8541       304.9024 142.0184       207.1123 43.99768 19.70081 39.79726 17.05496 4.200420       26.05751 
1 1 1 -27 5  30 o 32.12415 14.14572 47.84856       150.6879 253.0832       231.3896 -103.2892      198.5660 44.39631 18.46856 29.67626 14.14601 14.72004       23.26365 
1 1 1 -27 5  31 o 40.23602 16.33150 190.3322       175.2173 35.67541       291.4333 277.8841       219.2741 37.02493 17.49934 44.82931 18.24176 -7.804379      25.27823 
1 1 1 -27 5  32 o 40.25266 15.50569 205.2951       150.4945 50.35672       222.5728 335.7943       204.2663 34.11052 15.85159 46.94864 18.07037 -12.83812      24.03771 
1 1 1 -27 5  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 6  1  o 28.84362 12.13015 19.48183       101.4589 103.6880       116.4599 -245.6801      206.6616 36.94295 13.77185 29.70453 14.23309 7.238419       19.80517 
1 1 1 -27 6  2  o 146.8171 6.572062 1871.502       164.7708 1882.038       204.2609 1851.872       278.7979 146.3420 8.206731 143.2323 11.49532 3.109665       14.12419 
1 1 1 -27 6  3  o 136.3286 8.249079 1632.174       191.1370 1632.174       191.1370 0.000000       0.000000 136.3286 8.249079 ?        ?        0.000000       8.249079 
1 1 1 -27 6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 6  7  o 118.9526 8.744061 1244.927       176.3738 1244.927       176.3738 0.000000       0.000000 118.9526 8.744061 ?        ?        0.000000       8.744061 
1 1 1 -27 6  8  o 150.6522 8.292083 1986.769       212.5033 1986.769       212.5033 0.000000       0.000000 150.6522 8.292083 ?        ?        0.000000       8.292083 
1 1 1 -27 6  9  o 95.21035 11.54536 817.1639       183.8739 817.1639       183.8739 0.000000       0.000000 95.21035 11.54536 ?        ?        0.000000       11.54536 
1 1 1 -27 6  10 o 23.72645 11.27841 -145.0012      124.4397 -145.0012      124.4397 0.000000       0.000000 23.72645 11.27841 ?        ?        0.000000       11.27841 
1 1 1 -27 6  11 o 215.0580 8.613801 4042.479       316.3387 4042.479       316.3387 0.000000       0.000000 215.0580 8.613801 ?        ?        0.000000       8.613801 
1 1 1 -27 6  12 o 58.39950 14.93469 323.5771       149.5269 323.5771       149.5269 0.000000       0.000000 58.39950 14.93469 ?        ?        0.000000       14.93469 
1 1 1 -27 6  13 o 136.4718 8.259771 1631.800       191.5854 1631.800       191.5854 0.000000       0.000000 136.4718 8.259771 ?        ?        0.000000       8.259771 
1 1 1 -27 6  14 o 33.15357 14.27908 5.583319       146.5250 5.583319       146.5250 0.000000       0.000000 33.15357 14.27908 ?        ?        0.000000       14.27908 
1 1 1 -27 6  15 o 50.87600 19.30197 210.7603       230.9559 210.7603       230.9559 0.000000       0.000000 50.87600 19.30197 ?        ?        0.000000       19.30197 
1 1 1 -27 6  16 o 100.4007 13.33205 931.7411       222.9262 931.7411       222.9262 0.000000       0.000000 100.4007 13.33205 ?        ?        0.000000       13.33205 
1 1 1 -27 6  17 o 27.42713 13.37468 -328.1702      203.6301 -328.1702      203.6301 0.000000       0.000000 27.42713 13.37468 ?        ?        0.000000       13.37468 
1 1 1 -27 6  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 6  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 6  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 6  21 o 104.5479 18.44742 1121.711       317.3073 0.000000       0.000000 1121.711       317.3073 ?        ?        104.5479 18.44742 0.000000       18.44742 
1 1 1 -27 6  22 o 35.61074 16.96385 -234.6529      284.5836 0.000000       0.000000 -234.6529      284.5836 ?        ?        35.61074 16.96385 0.000000       16.96385 
1 1 1 -27 6  23 o 65.51131 21.38832 498.2393       275.1376 0.000000       0.000000 498.2393       275.1376 ?        ?        65.51131 21.38832 0.000000       21.38832 
1 1 1 -27 6  24 o 91.60381 17.91346 897.2644       270.1771 0.000000       0.000000 897.2644       270.1771 ?        ?        91.60381 17.91346 0.000000       17.91346 
1 1 1 -27 6  25 o 41.02294 18.65037 12.29329       285.5605 0.000000       0.000000 12.29329       285.5605 ?        ?        41.02294 18.65037 0.000000       18.65037 
1 1 1 -27 6  26 o 66.54784 21.77419 575.9278       285.0970 0.000000       0.000000 575.9278       285.0970 ?        ?        66.54784 21.77419 0.000000       21.77419 
1 1 1 -27 6  27 o 52.73555 20.61447 358.0517       269.0400 0.000000       0.000000 358.0517       269.0400 ?        ?        52.73555 20.61447 0.000000       20.61447 
1 1 1 -27 6  28 o 33.87401 15.56607 -9.631687      206.0472 0.000000       0.000000 -9.631687      206.0472 ?        ?        33.87401 15.56607 0.000000       15.56607 
1 1 1 -27 6  29 o 98.08366 11.06585 961.8309       182.1062 1368.949       302.0273 729.2849       228.2657 107.5273 17.01475 76.88889 17.74530 30.63837       24.58450 
1 1 1 -27 6  30 o 51.28856 17.57434 351.3021       185.4349 139.0544       320.6461 457.9600       227.3008 40.75567 18.96843 55.89145 19.44039 -15.13578      27.16118 
1 1 1 -27 6  31 o 30.06274 13.87148 -2.193707      165.9848 -124.5632      277.0800 66.29951       207.2966 32.34326 15.73411 34.56450 15.78215 -2.221241      22.28539 
1 1 1 -27 6  32 o 45.16457 15.96069 279.4611       153.5894 234.9438       229.8778 315.3586       206.4263 40.31214 17.61778 44.78823 17.88441 -4.476086      25.10455 
1 1 1 -27 7  1  o 43.38420 13.49489 175.5915       110.6048 222.7621       120.8508 -67.73782      274.4805 48.29465 13.90226 40.39928 18.33525 7.895367       23.00987 
1 1 1 -27 7  2  o 106.4502 8.095696 1000.147       146.0614 900.8661       177.9557 1205.101       255.6862 99.84371 10.59942 113.8641 13.40665 -14.02039      17.09053 
1 1 1 -27 7  3  o 85.22509 10.21945 654.9535       145.7634 654.9535       145.7634 0.000000       0.000000 85.22509 10.21945 ?        ?        0.000000       10.21945 
1 1 1 -27 7  4  f 46.12587 14.49505 197.9735       127.2415 197.9735       127.2415 0.000000       0.000000 46.12587 14.49505 ?        ?        0.000000       14.49505 
1 1 1 -27 7  5  o 52.89122 15.46347 267.5959       148.4835 267.5959       148.4835 0.000000       0.000000 52.89122 15.46347 ?        ?        0.000000       15.46347 
1 1 1 -27 7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  12 o 64.61837 15.77811 403.6790       172.5950 403.6790       172.5950 0.000000       0.000000 64.61837 15.77811 ?        ?        0.000000       15.77811 
1 1 1 -27 7  13 o 116.8041 9.283034 1210.399       183.6339 1210.399       183.6339 0.000000       0.000000 116.8041 9.283034 ?        ?        0.000000       9.283034 
1 1 1 -27 7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 7  19 o 104.6382 19.49178 1136.051       335.4767 0.000000       0.000000 1136.051       335.4767 ?        ?        104.6382 19.49178 0.000000       19.49178 
1 1 1 -27 7  20 o 95.23074 13.21897 860.6065       209.1718 769.3906       285.2979 966.6304       307.5850 84.64832 20.04621 95.80010 19.46554 -11.15178      27.94204 
1 1 1 -27 7  21 o 92.07399 13.71309 817.8851       209.0334 562.4003       291.4867 1088.385       299.9299 69.82563 21.93828 102.7665 17.73164 -32.94089      28.20814 
1 1 1 -27 7  22 o 84.52874 14.50060 707.1757       201.7752 823.4012       294.4412 604.2685       277.0580 85.76868 20.40056 72.29117 21.11933 13.47751       29.36340 
1 1 1 -27 7  23 f 28.66245 14.08310 -374.2903      238.9652 0.000000       0.000000 -374.2903      238.9652 ?        ?        28.66245 14.08310 0.000000       14.08310 
1 1 1 -27 7  24 o 74.80553 19.35904 641.3346       249.2012 0.000000       0.000000 641.3346       249.2012 ?        ?        74.80553 19.35904 0.000000       19.35904 
1 1 1 -27 7  25 o 39.68958 17.42222 72.43798       227.0038 0.000000       0.000000 72.43798       227.0038 ?        ?        39.68958 17.42222 0.000000       17.42222 
1 1 1 -27 7  26 o 53.63998 19.21655 354.8442       223.3704 0.000000       0.000000 354.8442       223.3704 ?        ?        53.63998 19.21655 0.000000       19.21655 
1 1 1 -27 7  27 o 44.69442 17.99088 224.7617       210.7320 0.000000       0.000000 224.7617       210.7320 ?        ?        44.69442 17.99088 0.000000       17.99088 
1 1 1 -27 7  28 o 29.74585 14.17153 -112.7220      198.7195 0.000000       0.000000 -112.7220      198.7195 ?        ?        29.74585 14.17153 0.000000       14.17153 
1 1 1 -27 7  29 o 35.98468 16.36432 61.12834       220.0391 0.000000       0.000000 61.12834       220.0391 ?        ?        35.98468 16.36432 0.000000       16.36432 
1 1 1 -27 7  30 o 38.50927 16.70892 156.8869       203.6423 407.4453       326.4752 -2.685478      260.5401 47.71883 20.92144 34.76448 16.46531 12.95435       26.62354 
1 1 1 -27 7  31 o 57.18510 16.37684 434.2776       168.0927 457.1065       222.0859 403.6595       257.1985 52.97166 19.13897 47.65046 19.61444 5.321198       27.40486 
1 1 1 -27 8  1  o 74.41934 11.00916 510.4837       135.6856 510.4837       135.6856 0.000000       0.000000 74.41934 11.00916 ?        ?        0.000000       11.00916 
1 1 1 -27 8  2  o 73.06651 11.06420 491.4030       133.7308 491.4030       133.7308 0.000000       0.000000 73.06651 11.06420 ?        ?        0.000000       11.06420 
1 1 1 -27 8  3  o 68.80674 11.69486 439.5190       132.4952 439.5190       132.4952 0.000000       0.000000 68.80674 11.69486 ?        ?        0.000000       11.69486 
1 1 1 -27 8  4  o 165.8274 8.049225 2416.238       227.9356 2416.238       227.9356 0.000000       0.000000 165.8274 8.049225 ?        ?        0.000000       8.049225 
1 1 1 -27 8  5  o 123.7781 8.443671 1354.626       177.4094 1354.626       177.4094 0.000000       0.000000 123.7781 8.443671 ?        ?        0.000000       8.443671 
1 1 1 -27 8  6  o 60.42649 13.27077 346.1679       133.1914 346.1679       133.1914 0.000000       0.000000 60.42649 13.27077 ?        ?        0.000000       13.27077 
1 1 1 -27 8  7  o 146.4795 7.921746 1884.807       197.4160 1884.807       197.4160 0.000000       0.000000 146.4795 7.921746 ?        ?        0.000000       7.921746 
1 1 1 -27 8  8  o 40.73191 15.01765 133.1743       137.7345 133.1743       137.7345 0.000000       0.000000 40.73191 15.01765 ?        ?        0.000000       15.01765 
1 1 1 -27 8  9  o 69.60371 11.71799 446.7150       134.3317 446.7150       134.3317 0.000000       0.000000 69.60371 11.71799 ?        ?        0.000000       11.71799 
1 1 1 -27 8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 8  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 8  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 8  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 8  16 o 30.41991 13.13330 5.994712       124.5581 13.55488       135.1772 -36.53165      320.6024 31.97398 13.74243 44.03746 19.91759 -12.06347      24.19844 
1 1 1 -27 8  17 o 99.37946 19.56616 1027.153       320.2313 0.000000       0.000000 1027.153       320.2313 ?        ?        99.37946 19.56616 0.000000       19.56616 
1 1 1 -27 8  18 o 115.0751 9.847791 1198.032       191.6542 1031.734       244.3345 1463.984       308.9879 103.7258 14.16444 122.9714 15.02677 -19.24560      20.65030 
1 1 1 -27 8  19 o 177.7855 7.424343 2786.678       225.4012 3065.944       284.6158 2316.875       369.1548 185.1117 9.003745 155.4837 14.05539 29.62805       16.69196 
1 1 1 -27 8  20 o 191.0729 7.546314 3230.554       246.2271 3120.269       328.5717 3371.821       371.8696 184.5843 10.46705 190.6079 11.47831 -6.023590      15.53418 
1 1 1 -27 8  21 o 105.5349 10.22113 1026.547       181.8948 825.9341       216.3972 1509.547       335.7737 91.46785 14.32437 121.4244 16.63046 -29.95654      21.94903 
1 1 1 -27 8  22 o 52.76224 17.83333 299.8452       190.9151 203.1060       245.4774 447.9309       303.7155 47.45566 19.30463 60.62866 22.30846 -13.17300      29.50146 
1 1 1 -27 8  23 o 55.36764 18.01152 342.4729       195.1835 654.0729       262.5163 -42.71788      291.8741 74.54330 20.14418 39.66383 18.33411 34.87947       27.23835 
1 1 1 -27 8  24 o 105.8009 10.78446 1063.562       192.1210 969.8972       293.1873 1134.048       254.3359 91.49293 19.36881 105.1784 14.55021 -13.68548      24.22518 
1 1 1 -27 8  25 o 67.44732 15.82601 500.3094       179.1415 281.1093       287.9105 638.7817       228.8330 49.12442 20.53211 73.67546 18.27653 -24.55104      27.48816 
1 1 1 -27 8  26 o 62.99322 18.91013 504.9149       219.6987 0.000000       0.000000 504.9149       219.6987 ?        ?        62.99322 18.91013 0.000000       18.91013 
1 1 1 -27 8  27 o 40.19859 17.10361 155.8350       205.6080 0.000000       0.000000 155.8350       205.6080 ?        ?        40.19859 17.10361 0.000000       17.10361 
1 1 1 -27 8  28 o 74.22962 18.85446 722.0558       239.4591 0.000000       0.000000 722.0558       239.4591 ?        ?        74.22962 18.85446 0.000000       18.85446 
1 1 1 -27 8  29 o 38.98637 17.79409 134.6887       263.1884 0.000000       0.000000 134.6887       263.1884 ?        ?        38.98637 17.79409 0.000000       17.79409 
1 1 1 -27 8  30 o 71.12646 16.74319 654.6941       199.9875 866.2327       307.4943 499.6200       263.2764 68.54266 22.62236 52.58619 20.43780 15.95647       30.48729 
1 1 1 -27 9  1  o 31.80857 12.69982 60.50716       104.0779 4.806031       114.4624 326.3752       250.0713 28.97651 12.54981 55.94983 20.29461 -26.97332      23.86145 
1 1 1 -27 9  2  o 84.47292 8.702513 640.7418       123.7377 620.7068       139.6287 714.0379       267.0674 82.42675 10.13325 82.01591 19.37668 0.4108353      21.86638 
1 1 1 -27 9  3  o 87.63686 9.733616 695.5313       143.2067 695.5313       143.2067 0.000000       0.000000 87.63686 9.733616 ?        ?        0.000000       9.733616 
1 1 1 -27 9  4  o 87.54531 11.35096 706.2540       165.6998 706.2540       165.6998 0.000000       0.000000 87.54531 11.35096 ?        ?        0.000000       11.35096 
1 1 1 -27 9  5  o 24.28130 11.22340 -74.43086      109.3646 -74.43086      109.3646 0.000000       0.000000 24.28130 11.22340 ?        ?        0.000000       11.22340 
1 1 1 -27 9  6  o 84.05816 11.63374 652.5949       162.5174 652.5949       162.5174 0.000000       0.000000 84.05816 11.63374 ?        ?        0.000000       11.63374 
1 1 1 -27 9  7  o 65.45776 12.14014 401.6570       130.7055 401.6570       130.7055 0.000000       0.000000 65.45776 12.14014 ?        ?        0.000000       12.14014 
1 1 1 -27 9  8  f 70.29913 11.79074 459.5956       136.5326 459.5956       136.5326 0.000000       0.000000 70.29913 11.79074 ?        ?        0.000000       11.79074 
1 1 1 -27 9  9  o 28.95793 12.18592 21.33187       102.4988 21.33187       102.4988 0.000000       0.000000 28.95793 12.18592 ?        ?        0.000000       12.18592 
1 1 1 -27 9  10 o 56.56104 13.01257 305.3181       123.0700 305.3181       123.0700 0.000000       0.000000 56.56104 13.01257 ?        ?        0.000000       13.01257 
1 1 1 -27 9  11 o 125.4286 8.271132 1392.886       176.1648 1392.886       176.1648 0.000000       0.000000 125.4286 8.271132 ?        ?        0.000000       8.271132 
1 1 1 -27 9  12 o 35.00241 13.64421 82.31417       117.6072 82.31417       117.6072 0.000000       0.000000 35.00241 13.64421 ?        ?        0.000000       13.64421 
1 1 1 -27 9  13 o 32.64768 13.16591 57.44064       113.0824 27.47881       120.4524 280.0468       328.3219 31.27944 13.18898 56.04340 22.49249 -24.76395      26.07415 
1 1 1 -27 9  14 o 42.13224 14.97880 157.3909       135.4683 199.2214       150.8454 -16.97162      307.9726 46.12433 15.84857 43.63595 19.64816 2.488380       25.24337 
1 1 1 -27 9  15 o 43.72465 19.42276 22.03798       290.2094 0.000000       0.000000 22.03798       290.2094 ?        ?        43.72465 19.42276 0.000000       19.42276 
1 1 1 -27 9  16 o 30.51575 12.82705 29.67333       113.3612 -0.6715745     120.0830 278.1833       343.6455 29.33136 12.77836 55.41440 22.72517 -26.08304      26.07143 
1 1 1 -27 9  17 o 58.86163 13.97046 341.3200       138.3194 448.8368       160.0468 24.00863       274.9488 67.50372 14.32733 42.45412 18.87957 25.04960       23.70043 
1 1 1 -27 9  18 o 159.7131 7.027941 2245.875       191.6773 2518.612       231.0380 1643.628       343.3196 168.3521 8.036424 128.2250 16.02941 40.12715       17.93115 
1 1 1 -27 9  19 f 50.69912 15.45201 262.0081       145.8810 287.1645       172.9615 200.0051       271.5388 52.50059 16.94477 48.74575 20.11965 3.754845       26.30448 
1 1 1 -27 9  20 o 102.8236 9.150538 963.3246       158.9932 1138.298       194.4841 610.7489       276.0728 110.8465 10.39594 71.98837 21.09632 38.85808       23.51872 
1 1 1 -27 9  21 o 89.39716 12.14670 769.0766       180.6301 739.0552       223.0778 826.2363       307.8122 84.21870 16.09804 83.05272 21.52634 1.165985       26.87992 
1 1 1 -27 9  22 o 52.16469 16.16585 293.7397       158.8871 236.6504       213.7177 364.2837       237.5711 47.73617 18.45269 55.57624 19.82775 -7.840076      27.08582 
1 1 1 -27 9  23 o 61.59212 14.10847 395.4651       145.2027 311.0358       186.3396 525.9838       231.6832 52.11830 17.61832 65.92271 19.32807 -13.80441      26.15301 
1 1 1 -27 9  24 o 37.03452 15.33317 105.6038       158.4124 119.5527       230.3286 93.08296       218.2195 40.74622 17.72482 39.14672 17.13534 1.599499       24.65338 
1 1 1 -27 9  25 o 58.33718 17.09664 408.5598       181.3103 405.7709       251.1089 411.5972       262.0649 54.25325 20.22300 54.19389 20.56084 0.5935669E-01  28.83952 
1 1 1 -27 9  26 o 36.52959 15.78969 97.69754       180.4698 88.77470       262.3778 105.7094       248.6230 39.14885 17.82881 39.29421 17.67715 -0.1453629     25.10674 
1 1 1 -27 9  27 o 33.49510 14.95176 47.22192       174.1765 -239.8006      277.9066 232.9049       223.5254 31.36629 15.36566 43.55950 18.13887 -12.19321      23.77230 
1 1 1 -27 9  28 o 50.25571 17.51418 344.9654       184.5320 378.5739       337.1596 330.5925       220.4874 46.95018 20.89151 47.56962 18.64338 -0.6194420     28.00056 
1 1 1 -27 9  29 o 35.73477 15.88690 115.4007       194.5569 120.5100       301.2074 111.7430       254.8550 38.04153 17.92172 36.97694 17.10615 1.064594       24.77516 
1 1 1 -27 10 1  o 50.42741 13.11959 251.3042       114.0548 228.9091       122.7768 392.3394       308.1081 47.87332 14.07988 58.56005 22.27565 -10.68673      26.35237 
1 1 1 -27 10 2  f 48.88578 13.29875 235.7185       113.9664 280.7354       122.3465 -59.53218      313.3280 53.27882 13.44660 41.48549 19.11238 11.79332       23.36866 
1 1 1 -27 10 3  o 46.14951 13.39419 208.2115       111.7668 208.9710       119.6694 203.0242       312.7483 46.15888 13.97889 50.71297 21.31055 -4.554092      25.48625 
1 1 1 -27 10 4  o 40.70468 13.95706 152.6684       116.9577 152.6684       116.9577 0.000000       0.000000 40.70468 13.95706 ?        ?        0.000000       13.95706 
1 1 1 -27 10 5  o 88.09286 9.686812 705.2739       143.3145 705.2739       143.3145 0.000000       0.000000 88.09286 9.686812 ?        ?        0.000000       9.686812 
1 1 1 -27 10 6  o 31.56691 13.63604 11.48481       134.4266 11.48481       134.4266 0.000000       0.000000 31.56691 13.63604 ?        ?        0.000000       13.63604 
1 1 1 -27 10 7  o 26.37568 11.78604 -29.16082      108.5312 -29.16082      108.5312 0.000000       0.000000 26.37568 11.78604 ?        ?        0.000000       11.78604 
1 1 1 -27 10 8  o 44.31393 16.47104 171.4582       166.3425 171.4582       166.3425 0.000000       0.000000 44.31393 16.47104 ?        ?        0.000000       16.47104 
1 1 1 -27 10 9  o 85.90034 15.45818 726.2447       218.4159 726.2447       218.4159 0.000000       0.000000 85.90034 15.45818 ?        ?        0.000000       15.45818 
1 1 1 -27 10 10 o 79.64347 14.09773 613.1611       184.7185 613.1611       184.7185 0.000000       0.000000 79.64347 14.09773 ?        ?        0.000000       14.09773 
1 1 1 -27 10 11 o 46.35440 14.91264 207.6116       134.0462 220.9361       147.1718 142.7488       324.7109 47.67839 15.64651 49.54166 21.29621 -1.863270      26.42616 
1 1 1 -27 10 12 o 67.60673 11.93969 431.4374       132.8027 343.5838       146.9045 824.2568       310.6360 58.85406 14.66909 86.38570 21.21273 -27.53165      25.79074 
1 1 1 -27 10 13 o 99.42281 8.017011 880.7723       134.9563 878.1889       150.0296 891.7255       308.9255 98.75037 8.995508 90.53220 20.46348 8.218170       22.35337 
1 1 1 -27 10 14 o 106.3053 8.847331 1016.447       159.1500 1037.229       177.4895 931.1862       359.5035 106.7585 9.846701 89.08163 23.34895 17.67685       25.34030 
1 1 1 -27 10 15 o 68.75148 11.95939 448.9550       135.3096 420.3917       155.2742 539.0989       275.8434 65.09779 14.35391 68.64131 21.30496 -3.543518      25.68922 
1 1 1 -27 10 16 o 109.5192 7.648226 1067.841       142.1404 1088.788       160.3205 990.8774       307.3081 110.0040 8.603010 95.65912 19.47447 14.34492       21.29006 
1 1 1 -27 10 17 o 31.94928 13.50914 36.26680       126.9411 -43.53928      137.3176 505.2557       332.8813 28.68982 13.00023 64.16295 23.39335 -35.47313      26.76294 
1 1 1 -27 10 18 o 33.25179 13.60385 63.13812       122.7787 -2.338003      139.5910 286.9008       258.0536 30.82870 13.59301 52.30974 20.26089 -21.48104      24.39824 
1 1 1 -27 10 19 o 34.92266 13.15590 100.9387       106.8205 70.41069       118.4041 234.4600       247.6240 33.26776 13.45241 48.85220 19.55934 -15.58444      23.73890 
1 1 1 -27 10 20 o 67.44351 12.67006 449.8728       140.5641 480.6315       159.5655 343.3061       297.0064 68.70092 14.07435 54.05745 21.49424 14.64347       25.69221 
1 1 1 -27 10 21 o 61.21500 13.04480 379.4113       132.1922 450.9236       159.6462 223.4403       235.7711 65.60788 14.62306 46.76617 18.95760 18.84171       23.94211 
1 1 1 -27 10 22 o 49.67353 13.97112 261.3676       123.4784 165.8102       147.6565 483.6164       225.1852 40.88343 15.45199 62.57417 19.22114 -21.69074      24.66204 
1 1 1 -27 10 23 o 42.90662 15.13625 198.5949       138.0741 70.97839       162.1720 534.8544       263.2448 35.03701 15.05536 62.30096 20.94132 -27.26395      25.79153 
1 1 1 -27 10 24 o 45.99053 15.72138 242.8255       148.3900 91.44438       206.8172 403.4397       213.0309 37.72318 16.59259 55.53412 18.83762 -17.81094      25.10319 
1 1 1 -27 10 25 f 36.42741 14.85126 120.7257       145.6893 -132.4173      210.0045 355.5977       202.2838 29.99884 14.36714 51.96722 18.32201 -21.96838      23.28328 
1 1 1 -27 10 26 o 40.47152 16.24203 183.6967       171.1911 259.8597       219.4280 65.23619       273.6570 44.79350 18.24004 38.05048 17.64613 6.743019       25.37883 
1 1 1 -27 10 27 o 30.80273 14.14174 4.121092       169.5320 32.40864       285.7810 -11.23921      210.5890 36.55655 17.29356 32.49430 15.20545 4.062241       23.02766 
1 1 1 -27 10 28 o 35.78543 15.39958 128.5993       170.1316 240.6305       291.3134 70.60956       209.5881 41.32216 18.80604 34.47163 15.78842 6.850529       24.55487 
1 1 1 -27 11 1  o 56.07971 11.24765 302.0245       103.9654 312.6662       110.7375 222.9150       301.9275 56.78239 11.80537 49.78534 20.93063 6.997059       24.03036 
1 1 1 -27 11 2  o 70.44079 9.998229 461.9554       116.8924 433.6476       130.8564 573.7589       260.0576 67.13480 11.84729 70.05505 20.45972 -2.920250      23.64230 
1 1 1 -27 11 3  o 117.4306 7.365051 1228.410       146.9451 1408.338       171.6623 735.0589       284.2516 125.2536 8.068628 79.63898 20.70785 45.61460       22.22426 
1 1 1 -27 11 4  o 95.12392 8.110995 813.9688       130.4958 795.0157       148.1309 879.6548       275.7675 93.17966 9.439686 90.18011 18.52706 2.999550       20.79326 
1 1 1 -27 11 5  o 34.16427 14.21010 58.28261       136.9571 58.28261       136.9571 0.000000       0.000000 34.16427 14.21010 ?        ?        0.000000       14.21010 
1 1 1 -27 11 6  o 48.57931 14.58359 236.8886       130.6660 236.8886       130.6660 0.000000       0.000000 48.57931 14.58359 ?        ?        0.000000       14.58359 
1 1 1 -27 11 7  o 59.09841 13.66517 345.7924       135.1561 345.7924       135.1561 0.000000       0.000000 59.09841 13.66517 ?        ?        0.000000       13.66517 
1 1 1 -27 11 8  o 56.34024 16.43894 329.8135       167.9571 329.8135       167.9571 0.000000       0.000000 56.34024 16.43894 ?        ?        0.000000       16.43894 
1 1 1 -27 11 9  o 59.10603 15.77817 358.6823       162.2342 469.6659       169.6860 -822.3181      553.5305 68.38074 14.94850 40.74251 20.26913 27.63824       25.18522 
1 1 1 -27 11 10 o 70.19016 16.45602 509.0905       193.8169 496.4680       209.0022 586.6076       517.9360 68.32486 17.75201 66.46941 27.63935 1.855446       32.84916 
1 1 1 -27 11 11 o 51.40049 15.95380 269.8698       154.6781 351.0454       171.4117 -86.05482      358.9273 58.04579 16.50848 43.18755 20.08977 14.85824       26.00248 
1 1 1 -27 11 12 o 48.34100 20.28589 180.3955       282.7636 0.000000       0.000000 180.3955       282.7636 ?        ?        48.34100 20.28589 0.000000       20.28589 
1 1 1 -27 11 13 o 70.64227 13.67826 491.3947       159.0428 412.9221       180.1216 769.0398       338.8066 62.72250 16.56921 78.97686 23.43235 -16.25436      28.69867 
1 1 1 -27 11 14 o 33.14127 13.35190 68.29910       116.1765 55.86657       128.2693 125.0651       274.0862 33.26342 13.78673 45.33001 19.52637 -12.06659      23.90299 
1 1 1 -27 11 15 o 80.97518 10.01085 607.9941       135.4799 744.3848       153.7365 133.8720       286.6354 89.53334 10.23932 45.91164 19.87205 43.62170       22.35491 
1 1 1 -27 11 16 o 121.0964 7.342477 1308.516       151.1191 1580.168       175.2721 521.5755       298.3167 132.7779 7.763908 64.51804 22.28078 68.25987       23.59473 
1 1 1 -27 11 17 o 40.92637 12.92652 165.1519       101.0734 185.2650       110.0759 57.05723       255.1845 43.02288 13.47573 40.93975 18.19807 2.083126       22.64432 
1 1 1 -27 11 18 o 108.3871 7.630431 1058.543       140.3293 1058.554       156.2906 1058.498       318.7479 107.6583 8.572291 94.86112 20.29078 12.79716       22.02725 
1 1 1 -27 11 19 o 55.37445 13.08146 313.1117       121.7312 303.6444       141.7864 339.6575       237.4208 53.23728 14.97024 53.15305 19.69343 0.8423233E-01  24.73741 
1 1 1 -27 11 20 o 90.85835 9.335857 772.9060       142.7910 816.1079       164.0019 637.5437       290.2997 92.24673 10.60394 68.30692 21.94270 23.93980       24.37059 
1 1 1 -27 11 21 o 41.31435 14.09866 178.8477       119.3361 218.6848       141.5902 81.14563       221.7387 44.69255 15.35479 38.58532 17.06641 6.107227       22.95717 
1 1 1 -27 11 22 o 73.97448 9.908895 526.6570       122.0272 520.5201       136.8488 550.4736       269.5904 72.21206 11.48199 62.10247 21.19065 10.10958       24.10145 
1 1 1 -27 11 23 o 17.03711 8.461723 -201.3933      94.86988 -187.6599      107.5081 -249.7198      201.6718 19.05456 9.378743 26.78475 13.11451 -7.730186      16.12300 
1 1 1 -27 11 24 o 19.42238 9.445117 -138.7727      99.61337 -128.5807      113.3015 -173.4739      209.0634 21.45697 10.34708 28.80549 13.93095 -7.348515      17.35320 
1 1 1 -27 11 25 o 29.82422 13.59752 -0.9963902     153.1595 -328.0034      215.4983 332.7860       217.7194 25.74668 12.78160 48.40051 18.64842 -22.65383      22.60825 
1 1 1 -27 11 26 o 34.38219 14.87587 98.36966       160.4965 130.1966       246.0749 74.80695       211.7300 38.03426 17.29987 35.18086 16.01947 2.853405       23.57771 
1 1 1 -27 12 1  o 60.66074 10.61750 352.5035       105.9779 310.3374       113.1924 652.0068       301.6733 55.88988 12.20213 70.50921 22.33883 -14.61933      25.45418 
1 1 1 -27 12 2  f 53.09881 11.42210 275.1422       100.4961 360.5892       109.7209 -169.8663      250.3948 61.31931 10.87657 33.53364 15.95726 27.78567       19.31150 
1 1 1 -27 12 3  o 118.4592 6.923140 1248.672       139.4375 1260.503       159.7994 1210.920       285.4555 118.2600 7.959208 107.9364 15.96905 10.32353       17.84263 
1 1 1 -27 12 4  o 106.9253 7.664459 1026.596       139.0188 1124.159       159.7067 721.4974       282.4238 111.3226 8.464543 77.77663 20.84208 33.54602       22.49535 
1 1 1 -27 12 5  o 76.86015 10.02262 551.6923       128.4173 566.3286       144.4837 496.6427       280.2079 77.01495 11.32418 63.25950 21.60382 13.75545       24.39184 
1 1 1 -27 12 6  o 69.44860 12.29678 470.3844       140.4961 470.3844       140.4961 0.000000       0.000000 69.44860 12.29678 ?        ?        0.000000       12.29678 
1 1 1 -27 12 7  o 50.38842 14.39997 261.2530       130.0979 261.2530       130.0979 0.000000       0.000000 50.38842 14.39997 ?        ?        0.000000       14.39997 
1 1 1 -27 12 8  o 69.01070 11.87593 460.5821       134.9064 441.0562       139.7143 729.7291       518.7173 66.96608 12.68187 67.39690 27.81215 -0.4308243     30.56706 
1 1 1 -27 12 9  o 48.31108 14.33517 239.1612       126.7976 251.2242       129.7266 -18.96955      600.0977 49.41929 14.45536 50.69094 24.27959 -1.271652      28.25696 
1 1 1 -27 12 10 o 51.21360 23.52557 160.3530       470.0576 0.000000       0.000000 160.3530       470.0576 ?        ?        51.21360 23.52557 0.000000       23.52557 
1 1 1 -27 12 11 o 44.57066 16.09550 198.2418       157.0412 216.7473       163.5966 -18.88480      560.3759 46.07972 16.45222 49.63456 23.68852 -3.554848      28.84132 
1 1 1 -27 12 12 o 32.97136 14.18501 35.51445       144.2789 -3.093389      156.4541 255.0097       373.0455 32.01446 14.23910 51.60189 22.50035 -19.58743      26.62738 
1 1 1 -27 12 13 o 42.15045 16.02389 167.4342       159.3724 51.46104       194.2308 406.4134       278.8171 37.22565 16.23356 57.47139 21.33183 -20.24574      26.80626 
1 1 1 -27 12 14 o 43.82902 16.50162 190.3813       168.0143 189.1694       195.8975 193.7526       326.7430 44.40286 17.51913 47.98814 20.98748 -3.585278      27.33851 
1 1 1 -27 12 15 o 52.28163 16.17998 299.2503       159.2265 412.9370       201.9152 112.2892       258.9343 59.69166 18.17595 42.58885 18.65318 17.10281       26.04432 
1 1 1 -27 12 16 o 61.68616 15.32868 409.4498       160.7610 401.5206       188.5005 430.6016       307.8709 59.15667 17.45960 56.83951 22.09820 2.317158       28.16323 
1 1 1 -27 12 17 o 97.60111 8.316184 874.0803       137.2837 973.2025       161.9629 621.1230       258.7342 102.0598 9.398668 70.04271 20.39371 32.01710       22.45525 
1 1 1 -27 12 18 o 23.52563 10.95350 -65.82928      107.0882 -100.3683      116.0158 133.0333       278.3803 23.17790 10.98042 42.92832 19.04811 -19.75042      21.98636 
1 1 1 -27 12 19 o 71.20438 10.13994 487.9919       119.8115 498.1318       139.8837 460.0682       232.1328 70.37994 12.07371 59.44551 19.65738 10.93443       23.06919 
1 1 1 -27 12 20 o 59.57024 12.48934 365.6452       122.9886 365.9378       137.8589 364.5040       272.2362 58.27052 14.02376 51.67221 20.56814 6.598312       24.89406 
1 1 1 -27 12 21 o 24.47245 11.21170 -36.80209      105.7880 54.97104       123.0942 -296.0860      206.9033 31.28541 13.26975 26.30826 12.96100 4.977152       18.54922 
1 1 1 -27 12 22 o 40.77607 13.73337 181.1369       113.2177 274.6769       135.1840 -38.60541      207.1970 48.88912 14.86900 32.46652 15.15634 16.42260       21.23210 
1 1 1 -27 12 23 o 25.99972 11.79660 -15.24398      113.5146 -63.29441      131.5466 124.8698       224.6319 25.61688 11.99691 38.49575 17.09459 -12.87887      20.88423 
1 1 1 -27 12 24 o 28.25730 12.92690 -9.671791      139.9295 -18.67693      183.6957 2.777022       215.9821 30.84295 14.35562 33.22409 15.49803 -2.381142      21.12517 
1 1 1 -27 12 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 13 3  o 29.32285 12.29739 39.57939       103.8054 6.536771       113.7130 204.7942       254.2714 28.16582 12.34807 45.91831 19.25130 -17.75249      22.87110 
1 1 1 -27 13 4  o 69.77467 10.40675 464.8754       120.2059 504.1321       133.6326 298.4423       275.1535 72.12006 11.21500 50.67363 20.50139 21.44643       23.36842 
1 1 1 -27 13 5  o 47.90963 13.00858 234.5834       109.1687 198.7132       122.2111 376.2436       242.8664 43.87099 14.25133 55.44654 20.01725 -11.57555      24.57215 
1 1 1 -27 13 6  o 52.62686 12.79454 280.4125       113.8668 357.1918       128.3877 -2.578988      246.4835 59.43108 13.01126 37.83857 17.25077 21.59251       21.60745 
1 1 1 -27 13 7  o 89.90048 9.679690 754.1810       146.2597 758.8011       153.3292 707.5167       487.2976 89.78407 10.18050 64.90315 26.88381 24.88091       28.74686 
1 1 1 -27 13 8  o 42.71392 21.12987 -465.6722      569.6854 0.000000       0.000000 -465.6722      569.6854 ?        ?        42.71392 21.12987 0.000000       21.12987 
1 1 1 -27 13 9  o 50.87978 14.40875 271.9502       130.8692 271.9502       130.8692 0.000000       0.000000 50.87978 14.40875 ?        ?        0.000000       14.40875 
1 1 1 -27 13 10 o 41.86098 14.05951 177.4228       118.6556 157.1060       124.8596 366.7589       381.1631 40.08227 14.36642 54.09342 23.15795 -14.01115      27.25225 
1 1 1 -27 13 11 o 29.15103 12.45144 28.04386       109.7399 2.284003       118.6523 180.4476       288.6041 28.46724 12.54298 45.90404 19.90442 -17.43680      23.52684 
1 1 1 -27 13 12 o 45.84921 15.12286 223.4814       137.4214 251.0598       150.0422 79.92966       342.3209 48.05908 15.79966 44.01126 20.16504 4.047825       25.61754 
1 1 1 -27 13 13 o 30.46673 13.62457 -4.992118      145.3293 234.5416       173.7844 -562.1350      265.0396 46.37550 16.90344 26.90144 13.48056 19.47406       21.62063 
1 1 1 -27 13 14 o 74.16968 13.18198 560.1226       160.8415 692.6511       202.9868 336.5290       263.6593 80.45061 15.33512 51.95669 20.38012 28.49393       25.50520 
1 1 1 -27 13 15 o 53.77503 16.35119 328.7295       163.4922 347.2626       197.0074 287.7283       293.0262 53.76970 18.11592 49.28937 20.66559 4.480331       27.48187 
1 1 1 -27 13 16 o 49.85458 15.77119 279.4727       150.4080 75.00514       195.6875 574.6406       235.1178 37.21008 16.25868 67.74686 19.35760 -30.53677      25.27966 
1 1 1 -27 13 17 o 51.02010 14.52397 285.1108       132.6131 185.7516       162.5164 483.1034       229.4127 42.03545 16.13314 61.08147 19.49422 -19.04602      25.30421 
1 1 1 -27 13 18 o 42.53925 15.13658 197.7322       138.3660 189.2277       161.5866 221.1089       267.8992 41.94794 16.08991 44.95965 19.33562 -3.011707      25.15455 
1 1 1 -27 13 19 o 36.02991 12.18079 131.7036       89.06907 136.1091       98.12897 111.0966       212.2324 36.55684 12.77002 38.53155 16.88151 -1.974709      21.16740 
1 1 1 -27 13 20 o 35.69417 12.26881 130.5230       90.40118 109.9365       100.1205 221.3781       210.3324 33.84592 12.73930 43.24714 17.76220 -9.401222      21.85831 
1 1 1 -27 13 21 o 22.59119 10.60694 -65.61559      103.9546 -44.31132      113.7519 -173.5542      256.0435 24.61172 11.40079 31.25812 15.18740 -6.646399      18.99039 
1 1 1 -27 13 22 o 34.24448 14.12863 106.6355       133.8306 111.0766       166.4482 98.51418       225.0848 35.65225 15.28425 36.96730 16.70716 -1.315048      22.64371 
1 1 1 -27 14 6  f 44.78067 21.91281 -130.5592      560.5654 0.000000       0.000000 -130.5592      560.5654 ?        ?        44.78067 21.91281 0.000000       21.91281 
1 1 1 -27 14 7  o 69.98034 10.49866 473.4547       121.5912 472.4141       133.0314 478.7364       299.7032 68.95722 11.71646 57.91701 21.98436 11.04021       24.91160 
1 1 1 -27 14 8  o 49.20390 13.46440 255.7066       116.4199 167.1701       121.0933 1336.792       423.1448 40.32110 14.18010 93.83104 25.66668 -53.50994      29.32326 
1 1 1 -27 14 9  f 50.21193 13.70862 268.3024       120.8447 231.7905       128.7601 538.1772       350.0624 46.21764 14.58912 58.79002 23.34808 -12.57238      27.53135 
1 1 1 -27 14 10 o 26.09286 12.06604 -56.17605      126.6077 -203.5986      142.8511 483.7277       273.3756 22.88205 11.16796 58.95651 21.24438 -36.07446      24.00098 
1 1 1 -27 14 11 o 56.74618 13.80551 342.3954       132.5029 342.3954       132.5029 0.000000       0.000000 56.74618 13.80551 ?        ?        0.000000       13.80551 
1 1 1 -27 14 12 o 76.57009 9.870711 560.8918       126.0601 677.9702       142.6947 144.7292       269.0302 84.00778 10.15285 42.51269 18.80122 41.49509       21.36741 
1 1 1 -27 14 13 f 63.17604 11.78050 402.1116       122.4166 418.1241       133.4136 316.8183       307.9129 63.66445 12.71664 49.33132 20.95861 14.33313       24.51481 
1 1 1 -27 14 14 f 29.21156 13.00873 5.937060       131.0098 22.63197       142.6889 -83.70423      330.6376 31.00626 13.70347 37.84060 18.09748 -6.834332      22.70030 
1 1 1 -27 14 15 o 59.05460 12.19699 359.7664       118.9287 397.2557       131.1022 185.5565       282.6135 61.51997 12.89185 43.37848 19.22278 18.14149       23.14552 
1 1 1 -27 14 16 o 60.14540 13.12829 385.5172       131.0532 428.4347       149.1914 240.5067       274.2372 62.30436 14.32222 44.88312 19.43219 17.42125       24.13993 
1 1 1 -27 14 17 o 49.35964 14.99740 282.5833       137.5779 483.3654       160.8789 -263.8868      265.4115 65.61397 14.72044 30.43614 14.93172 35.17783       20.96778 
1 1 1 -27 14 18 f 34.66230 14.70986 93.86762       151.3898 127.8683       188.2616 31.64437       254.6796 37.80094 16.23152 36.51213 16.96391 1.288811       23.47843 
1 1 1 -26 0  1  o 71.76765 13.90519 494.1707       152.0175 494.1707       152.0175 494.1707       152.0175 71.76765 13.90519 71.76765 13.90519 0.000000       0.000000 
1 1 1 -26 0  2  o 30.11185 17.29161 103.4602       141.7059 103.4602       141.7059 103.4602       141.7059 30.11185 17.29161 30.11185 17.29161 -0.000000      0.000000 
1 1 1 -26 0  3  o 251.0131 9.335903 5448.930       398.9231 5448.930       398.9231 5448.930       398.9231 251.0131 9.335903 251.0131 9.335903 -0.000000      0.000000 
1 1 1 -26 0  4  o 357.1698 10.86752 11043.61       661.4485 11043.61       661.4485 11043.61       661.4485 357.1698 10.86752 357.1698 10.86752 -0.000000      0.000000 
1 1 1 -26 0  5  o 108.4678 9.540131 1035.743       173.5639 1035.743       173.5639 1035.743       173.5639 108.4678 9.540131 108.4678 9.540131 0.000000       0.000000 
1 1 1 -26 0  6  o 196.6796 8.565089 3343.581       286.4278 3343.581       286.4278 3343.581       286.4278 196.6796 8.565089 196.6796 8.565089 -0.000000      0.000000 
1 1 1 -26 0  7  o 134.8788 10.47151 1596.487       237.8442 1596.487       237.8442 1596.487       237.8442 134.8788 10.47151 134.8788 10.47151 -0.000000      0.000000 
1 1 1 -26 0  8  o 37.24316 22.01415 146.5836       240.7993 146.5836       240.7993 146.5836       240.7993 37.24316 22.01415 37.24316 22.01415 0.000000       0.000000 
1 1 1 -26 0  9  o 126.7757 11.48004 1421.803       243.8451 1421.803       243.8451 1421.803       243.8451 126.7757 11.48004 126.7757 11.48004 0.000000       0.000000 
1 1 1 -26 0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  24 o 20.74428 15.24061 -935.0190      366.2061 -935.0190      366.2061 -935.0190      366.2061 20.74428 15.24061 20.74428 15.24061 -0.000000      0.000000 
1 1 1 -26 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  26 o ?        ?        -1296.873      338.9837 -1296.873      338.9837 -1296.873      338.9837 ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 -26 0  27 o 31.21888 21.04706 -44.61575      324.2210 -44.61575      324.2210 -44.61575      324.2210 31.21888 21.04706 31.21888 21.04706 -0.000000      0.000000 
1 1 1 -26 0  28 o 32.41338 21.34561 41.76106       301.3927 41.76106       301.3927 41.76106       301.3927 32.41338 21.34561 32.41338 21.34561 -0.000000      0.000000 
1 1 1 -26 0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  30 o 50.27636 23.22003 387.0195       219.6041 387.0195       219.6041 387.0195       219.6041 50.27636 23.22003 50.27636 23.22003 -0.000000      0.000000 
1 1 1 -26 0  31 o 34.55801 20.25716 189.6117       200.8848 189.6117       200.8848 189.6117       200.8848 34.55801 20.25716 34.55801 20.25716 -0.000000      0.000000 
1 1 1 -26 0  32 o 31.06632 18.96536 144.4875       190.5494 144.4875       190.5494 144.4875       190.5494 31.06632 18.96536 31.06632 18.96536 -0.000000      0.000000 
1 1 1 -26 0  33 o 87.58357 18.20651 865.0661       240.1526 865.0661       240.1526 865.0661       240.1526 87.58357 18.20651 87.58357 18.20651 -0.000000      0.000000 
1 1 1 -26 0  34 o 37.12906 21.91742 280.3107       238.1240 280.3107       238.1240 280.3107       238.1240 37.12906 21.91742 37.12906 21.91742 -0.000000      0.000000 
1 1 1 -26 1  1  o 96.44872 7.120585 808.1266       116.4481 820.0030       160.3687 794.8806       169.3642 96.40879 9.880505 94.65607 10.66359 1.752716       14.53742 
1 1 1 -26 1  2  o 168.9781 6.388937 2459.720       184.3576 2663.699       258.6101 2248.942       262.8844 175.2038 8.643710 160.4026 9.642139 14.80119       12.94931 
1 1 1 -26 1  3  o 121.1895 7.347454 1272.283       151.3379 1241.580       188.9063 1327.296       252.8642 119.1820 9.357045 122.2621 12.27722 -3.080139      15.43646 
1 1 1 -26 1  4  o 154.1887 6.091789 2044.310       160.3982 2247.149       234.5101 1866.004       219.8715 160.8863 8.566586 146.4905 8.830647 14.39581       12.30312 
1 1 1 -26 1  5  o 107.0515 7.296540 992.5266       132.5911 1016.187       166.4156 951.3989       219.4077 107.9041 9.116717 103.3307 12.70173 4.573441       15.63485 
1 1 1 -26 1  6  o 182.7795 6.168087 2872.433       192.5218 2744.178       255.7890 3040.033       292.4037 178.1227 8.409319 187.2601 9.143988 -9.137466      12.42293 
1 1 1 -26 1  7  o 257.1039 6.869978 5693.278       301.6241 5646.816       409.3860 5748.446       446.0962 255.0932 9.397928 257.0287 10.16354 -1.935455      13.84264 
1 1 1 -26 1  8  o 38.74669 16.23860 34.90596       180.8064 34.90596       180.8064 0.000000       0.000000 38.74669 16.23860 ?        ?        0.000000       16.23860 
1 1 1 -26 1  9  o 182.3623 9.502546 2894.471       294.8977 2894.471       294.8977 0.000000       0.000000 182.3623 9.502546 ?        ?        0.000000       9.502546 
1 1 1 -26 1  10 o 98.83907 16.09908 893.5491       262.3724 893.5491       262.3724 0.000000       0.000000 98.83907 16.09908 ?        ?        0.000000       16.09908 
1 1 1 -26 1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  23 o 103.8851 19.79305 1090.007       338.3090 0.000000       0.000000 1090.007       338.3090 ?        ?        103.8851 19.79305 0.000000       19.79305 
1 1 1 -26 1  24 o 59.00196 22.06886 345.0630       299.5458 0.000000       0.000000 345.0630       299.5458 ?        ?        59.00196 22.06886 0.000000       22.06886 
1 1 1 -26 1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 1  26 o 25.97247 12.89222 -450.7742      219.0011 -396.2347      285.2027 -529.1404      341.8713 32.26252 15.75371 33.90509 16.69526 -1.642567      22.95454 
1 1 1 -26 1  27 o 52.48874 18.27563 290.1100       200.9043 303.4898       261.9914 271.0118       313.0111 53.65432 20.50963 52.84294 21.68170 0.8113823      29.84529 
1 1 1 -26 1  28 o 64.78734 22.07737 524.8893       292.6205 0.000000       0.000000 524.8893       292.6205 ?        ?        64.78734 22.07737 0.000000       22.07737 
1 1 1 -26 1  29 o 105.3146 10.87575 1054.094       192.7749 1376.355       309.1210 849.0051       246.6017 113.7186 16.39170 88.43480 16.94631 25.28379       23.57679 
1 1 1 -26 1  30 o 34.90063 15.06796 60.11837       163.9622 -233.3507      261.4214 250.4218       210.5151 31.98070 15.49347 47.08731 18.28252 -15.10661      23.96452 
1 1 1 -26 1  31 o 36.29615 15.55630 94.10424       172.3469 -171.2356      246.0302 349.7697       241.5034 31.60812 15.24351 50.85318 19.62735 -19.24506      24.85151 
1 1 1 -26 1  32 o 86.83859 12.15167 783.8169       175.2627 725.9053       250.2612 839.5570       245.5244 72.70320 19.67735 81.49783 18.11187 -8.794632      26.74394 
1 1 1 -26 1  33 o 35.43123 14.79387 119.8800       149.2552 34.52015       223.4236 188.6752       200.5772 34.50652 15.98205 40.08238 16.96644 -5.575863      23.30850 
1 1 1 -26 1  34 o 30.76586 14.01173 33.53159       162.0794 -100.8006      229.0965 168.1418       229.3335 30.09391 14.56107 37.99879 17.04524 -7.904886      22.41796 
1 1 1 -26 2  1  o 87.38950 8.434154 669.4312       124.3008 547.6797       149.6039 940.8548       223.3725 78.03673 11.57752 102.0781 13.11785 -24.04140      17.49620 
1 1 1 -26 2  2  o 201.2280 6.136137 3486.958       210.8557 3473.048       285.8091 3503.571       312.3446 200.0995 8.364269 200.6831 9.114258 -0.5835419     12.37056 
1 1 1 -26 2  3  o 88.07963 9.303310 681.5214       137.8138 738.5793       182.8875 606.5532       209.6354 90.89977 12.08127 80.99670 15.72336 9.903069       19.82879 
1 1 1 -26 2  4  o 119.8451 7.256358 1243.539       147.8049 1259.824       186.8166 1216.286       241.6740 120.1378 9.175512 117.0338 12.27529 3.104042       15.32556 
1 1 1 -26 2  5  o 52.00861 13.40921 247.6192       119.8547 453.8809       149.8750 -118.3000      199.6239 70.80721 12.86913 33.76993 15.44553 37.03727       20.10421 
1 1 1 -26 2  6  o 157.2286 6.611911 2127.893       177.5254 2162.088       218.4124 2061.323       304.7416 157.9621 8.124477 153.0094 11.75284 4.952667       14.28763 
1 1 1 -26 2  7  o 83.73407 12.69608 629.1730       175.8470 629.1730       175.8470 0.000000       0.000000 83.73407 12.69608 ?        ?        0.000000       12.69608 
1 1 1 -26 2  8  o 154.0004 8.423021 2057.931       220.6696 2057.931       220.6696 0.000000       0.000000 154.0004 8.423021 ?        ?        0.000000       8.423021 
1 1 1 -26 2  9  o 139.2041 8.878165 1685.703       209.9459 1685.703       209.9459 0.000000       0.000000 139.2041 8.878165 ?        ?        0.000000       8.878165 
1 1 1 -26 2  10 o 74.93993 18.73929 530.4004       239.1814 530.4004       239.1814 0.000000       0.000000 74.93993 18.73929 ?        ?        0.000000       18.73929 
1 1 1 -26 2  11 o 74.17316 16.74070 512.8945       207.0107 512.8945       207.0107 0.000000       0.000000 74.17316 16.74070 ?        ?        0.000000       16.74070 
1 1 1 -26 2  12 o 61.69386 18.21322 353.9029       205.1006 353.9029       205.1006 0.000000       0.000000 61.69386 18.21322 ?        ?        0.000000       18.21322 
1 1 1 -26 2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  22 o 51.33834 21.63550 131.3520       323.8625 0.000000       0.000000 131.3520       323.8625 ?        ?        51.33834 21.63550 0.000000       21.63550 
1 1 1 -26 2  23 o 119.5746 16.43744 1377.179       326.7647 0.000000       0.000000 1377.179       326.7647 ?        ?        119.5746 16.43744 0.000000       16.43744 
1 1 1 -26 2  24 o 43.40792 20.04891 -114.6840      348.0071 0.000000       0.000000 -114.6840      348.0071 ?        ?        43.40792 20.04891 0.000000       20.04891 
1 1 1 -26 2  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 2  26 o 49.47560 20.37309 198.2528       277.6036 0.000000       0.000000 198.2528       277.6036 ?        ?        49.47560 20.37309 0.000000       20.37309 
1 1 1 -26 2  27 o 50.45251 20.91193 230.3516       295.1292 0.000000       0.000000 230.3516       295.1292 ?        ?        50.45251 20.91193 0.000000       20.91193 
1 1 1 -26 2  28 o 102.2007 11.50896 994.8732       197.3635 782.1591       323.4417 1121.060       249.1181 78.48094 22.78766 105.9201 14.12493 -27.43913      26.81028 
1 1 1 -26 2  29 o 44.40208 16.78212 200.3006       174.1730 427.0147       298.1919 82.89892       214.5823 57.35082 21.89071 39.39858 17.12335 17.95224       27.79231 
1 1 1 -26 2  30 o 26.39470 12.61772 -142.6470      160.3473 122.1520       214.4400 -478.4742      241.4936 40.21331 17.29691 26.19019 13.08583 14.02312       21.68922 
1 1 1 -26 2  31 o 50.59300 15.36129 296.0343       144.3724 193.0326       209.5182 389.1572       199.2177 42.29338 17.58226 54.88215 18.21347 -12.58878      25.31534 
1 1 1 -26 2  32 o 39.70975 16.76343 168.5818       194.9603 168.5818       194.9603 0.000000       0.000000 39.70975 16.76343 ?        ?        0.000000       16.76343 
1 1 1 -26 2  33 o 67.98375 13.93759 522.8544       156.3726 515.2518       235.4985 528.8500       209.1307 57.65910 19.80297 61.49698 18.44718 -3.837879      27.06392 
1 1 1 -26 2  34 o 33.64231 14.58675 104.8530       154.9775 133.5127       210.7173 71.08334       228.7321 36.19074 16.27812 34.45320 16.03033 1.737537       22.84620 
1 1 1 -26 3  1  o 66.20373 10.94841 395.3270       119.4494 442.2277       155.0434 326.8348       187.3629 69.22477 13.60078 58.84089 17.41790 10.38388       22.09897 
1 1 1 -26 3  2  o 52.16661 12.32727 250.0484       108.0739 264.5042       130.0428 217.7719       194.3158 53.42566 14.06213 50.83130 17.95366 2.594368       22.80520 
1 1 1 -26 3  3  o 206.7506 6.491597 3684.042       229.1924 3667.346       294.4625 3709.701       365.0485 205.6431 8.385206 205.7194 10.42544 -0.7629395E-01 13.37914 
1 1 1 -26 3  4  o 49.69143 13.68025 226.0904       119.7588 260.5352       137.7622 119.5354       242.3007 53.19278 14.68421 47.82160 19.27674 5.371185       24.23259 
1 1 1 -26 3  5  o 180.7782 6.303582 2812.481       194.5967 2734.816       256.3791 2918.036       298.8883 177.7097 8.448303 182.9564 9.600164 -5.246643      12.78816 
1 1 1 -26 3  6  o 105.8093 10.00678 982.4366       178.6624 982.4366       178.6624 0.000000       0.000000 105.8093 10.00678 ?        ?        0.000000       10.00678 
1 1 1 -26 3  7  o 140.4409 8.215333 1711.311       196.1663 1711.311       196.1663 0.000000       0.000000 140.4409 8.215333 ?        ?        0.000000       8.215333 
1 1 1 -26 3  8  f 63.09980 13.12527 363.2310       136.8216 363.2310       136.8216 0.000000       0.000000 63.09980 13.12527 ?        ?        0.000000       13.12527 
1 1 1 -26 3  9  o 170.1830 8.252926 2505.656       239.8424 2505.656       239.8424 0.000000       0.000000 170.1830 8.252926 ?        ?        0.000000       8.252926 
1 1 1 -26 3  10 o 242.5023 9.193357 5105.075       380.7079 5105.075       380.7079 0.000000       0.000000 242.5023 9.193357 ?        ?        0.000000       9.193357 
1 1 1 -26 3  11 o 231.3273 9.581071 4653.245       378.4799 4653.245       378.4799 0.000000       0.000000 231.3273 9.581071 ?        ?        0.000000       9.581071 
1 1 1 -26 3  12 o 148.2775 10.02894 1924.094       252.4475 1924.094       252.4475 0.000000       0.000000 148.2775 10.02894 ?        ?        0.000000       10.02894 
1 1 1 -26 3  13 o 98.81203 13.44122 879.1523       220.9182 879.1523       220.9182 0.000000       0.000000 98.81203 13.44122 ?        ?        0.000000       13.44122 
1 1 1 -26 3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  21 o 58.49869 22.84052 282.8033       329.9846 0.000000       0.000000 282.8033       329.9846 ?        ?        58.49869 22.84052 0.000000       22.84052 
1 1 1 -26 3  22 o 53.14806 21.48455 204.1030       301.9048 0.000000       0.000000 204.1030       301.9048 ?        ?        53.14806 21.48455 0.000000       21.48455 
1 1 1 -26 3  23 o 34.87971 17.06897 -511.5023      340.2874 0.000000       0.000000 -511.5023      340.2874 ?        ?        34.87971 17.06897 0.000000       17.06897 
1 1 1 -26 3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 3  26 o 30.42907 14.39985 -164.0185      198.4523 -142.0020      325.0228 -177.1052      250.5854 40.11736 18.81002 34.33838 16.22869 5.778984       24.84326 
1 1 1 -26 3  27 o 39.89371 16.42805 108.8229       180.5106 119.8939       285.7492 101.4712       232.8554 45.32516 19.72960 42.23451 18.09122 3.090649       26.76844 
1 1 1 -26 3  28 o 54.51936 17.60385 330.9003       186.6630 739.1528       327.8995 135.1691       227.0421 74.92294 23.22411 42.82592 18.08517 32.09702       29.43522 
1 1 1 -26 3  29 f 37.41761 15.37237 104.6035       157.5977 84.13321       245.2399 119.0041       205.6930 40.64679 17.96462 40.44845 17.15474 0.1983376      24.83974 
1 1 1 -26 3  30 f 58.05256 16.36139 388.7795       169.1628 327.8782       234.0135 455.4335       244.8165 50.78500 19.39056 58.27090 20.18075 -7.485901      27.98672 
1 1 1 -26 3  31 o 55.36127 15.74110 361.1912       155.8661 395.5876       258.4857 341.5387       195.3837 52.00326 20.23992 51.18938 18.01122 0.8138771      27.09351 
1 1 1 -26 3  32 o 46.76994 16.20746 274.6323       157.9164 -12.04013      242.2997 486.3170       208.2114 34.31792 16.13872 59.47530 18.51799 -25.15739      24.56367 
1 1 1 -26 3  33 o 51.61263 17.89975 382.0248       192.6338 382.0248       192.6338 0.000000       0.000000 51.61263 17.89975 ?        ?        0.000000       17.89975 
1 1 1 -26 3  34 o 25.79484 12.14600 -47.69544      138.0261 -156.9229      210.5810 34.57634       182.7590 27.59483 13.48777 31.44818 14.52643 -3.853346      19.82265 
1 1 1 -26 4  1  o 94.97172 7.552276 787.4347       121.4708 844.2594       147.8997 669.6599       212.9241 97.93874 8.941846 84.69894 15.28361 13.23980       17.70721 
1 1 1 -26 4  2  o 147.3297 6.643282 1875.013       167.1379 1888.958       202.1991 1844.929       296.9813 147.2631 8.071258 143.7230 12.21624 3.540054       14.64178 
1 1 1 -26 4  3  o 140.8584 7.192111 1719.750       172.4214 1672.360       196.0327 1881.696       362.3833 138.5490 8.324200 143.9295 14.96274 -5.380493      17.12238 
1 1 1 -26 4  4  o 166.2953 6.632849 2384.784       188.3571 2525.920       234.1122 2125.743       317.1677 170.7530 8.028858 154.8124 12.09324 15.94061       14.51582 
1 1 1 -26 4  5  o 181.5894 8.756944 2862.269       271.5469 2862.269       271.5469 0.000000       0.000000 181.5894 8.756944 ?        ?        0.000000       8.756944 
1 1 1 -26 4  6  o 147.5149 8.481004 1891.676       212.7420 1891.676       212.7420 0.000000       0.000000 147.5149 8.481004 ?        ?        0.000000       8.481004 
1 1 1 -26 4  7  o 73.42184 11.05016 481.1926       134.2529 481.1926       134.2529 0.000000       0.000000 73.42184 11.05016 ?        ?        0.000000       11.05016 
1 1 1 -26 4  8  o 76.41106 10.89795 519.7403       138.1721 519.7403       138.1721 0.000000       0.000000 76.41106 10.89795 ?        ?        0.000000       10.89795 
1 1 1 -26 4  9  o 81.30296 10.60575 586.0828       143.7408 586.0828       143.7408 0.000000       0.000000 81.30296 10.60575 ?        ?        0.000000       10.60575 
1 1 1 -26 4  10 o 89.63133 10.17297 708.6878       152.9495 708.6878       152.9495 0.000000       0.000000 89.63133 10.17297 ?        ?        0.000000       10.17297 
1 1 1 -26 4  11 o 153.8770 8.353008 2056.596       218.6696 2056.596       218.6696 0.000000       0.000000 153.8770 8.353008 ?        ?        0.000000       8.353008 
1 1 1 -26 4  12 o 128.9837 9.998990 1458.565       218.5172 1458.565       218.5172 0.000000       0.000000 128.9837 9.998990 ?        ?        0.000000       9.998990 
1 1 1 -26 4  13 o 81.76178 17.32755 627.4088       234.4141 627.4088       234.4141 0.000000       0.000000 81.76178 17.32755 ?        ?        0.000000       17.32755 
1 1 1 -26 4  14 o 252.7678 10.10236 5579.165       436.0605 5579.165       436.0605 0.000000       0.000000 252.7678 10.10236 ?        ?        0.000000       10.10236 
1 1 1 -26 4  15 o 265.8385 10.28165 6180.845       466.7484 6180.845       466.7484 0.000000       0.000000 265.8385 10.28165 ?        ?        0.000000       10.28165 
1 1 1 -26 4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 4  20 o 105.6429 19.81721 1100.771       344.3744 0.000000       0.000000 1100.771       344.3744 ?        ?        105.6429 19.81721 0.000000       19.81721 
1 1 1 -26 4  21 o 61.39338 22.46045 360.9825       307.2383 0.000000       0.000000 360.9825       307.2383 ?        ?        61.39338 22.46045 0.000000       22.46045 
1 1 1 -26 4  22 o 56.90618 21.58639 298.5642       288.8306 0.000000       0.000000 298.5642       288.8306 ?        ?        56.90618 21.58639 0.000000       21.58639 
1 1 1 -26 4  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 4  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 4  25 o 41.89919 18.57279 27.06937       264.0161 0.000000       0.000000 27.06937       264.0161 ?        ?        41.89919 18.57279 0.000000       18.57279 
1 1 1 -26 4  26 o 50.99628 20.95627 238.6877       292.9773 0.000000       0.000000 238.6877       292.9773 ?        ?        50.99628 20.95627 0.000000       20.95627 
1 1 1 -26 4  27 o 77.71160 14.74880 613.5640       188.5647 257.7916       306.2655 830.7628       239.2988 51.09294 21.25041 89.19745 16.31146 -38.10451      26.78887 
1 1 1 -26 4  28 o 56.17699 17.35290 354.1884       183.2462 774.7380       331.0050 168.3403       220.0417 76.08157 23.29274 43.91278 18.11694 32.16878       29.50890 
1 1 1 -26 4  29 o 64.27302 16.49294 463.8863       181.9213 203.8649       257.7895 721.8444       256.7647 45.51545 19.24863 77.08937 19.49286 -31.57392      27.39491 
1 1 1 -26 4  30 o 42.83569 16.10851 202.3727       160.0123 190.4777       285.5838 207.8158       193.1839 43.99631 19.41848 43.39777 17.31003 0.5985374      26.01373 
1 1 1 -26 4  31 f 78.23149 13.41802 657.1201       172.8022 509.4093       228.6945 853.6719       263.8080 60.25551 19.48832 80.43108 19.42584 -20.17557      27.51650 
1 1 1 -26 4  32 o 30.80125 14.10870 3.090372       167.4197 -17.17344      236.5428 23.43126       236.9922 33.74917 15.89417 34.94636 16.27893 -1.197193      22.75144 
1 1 1 -26 4  33 o 43.03604 15.04157 233.4628       136.1534 304.3908       191.5473 161.0300       193.5686 45.72267 17.52283 37.74823 16.33451 7.974438       23.95549 
1 1 1 -26 4  34 f 45.87769 15.48158 285.0915       143.8794 397.9482       221.6999 202.9714       189.1152 48.00286 18.72735 38.61525 16.41599 9.387611       24.90378 
1 1 1 -26 5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 5  2  o 30.73973 12.59467 35.36027       105.4322 73.15061       111.3455 -292.3453      327.8868 34.32995 13.30549 39.31005 18.57391 -4.980103      22.84789 
1 1 1 -26 5  3  o 159.5129 6.861539 2200.563       186.9043 2103.404       213.6019 2517.988       386.0858 155.3722 8.078497 167.0399 13.65449 -11.66771      15.86528 
1 1 1 -26 5  4  o 54.07550 13.74267 271.4106       127.1687 271.4106       127.1687 0.000000       0.000000 54.07550 13.74267 ?        ?        0.000000       13.74267 
1 1 1 -26 5  5  o 112.5669 8.883243 1108.851       169.3716 1108.851       169.3716 0.000000       0.000000 112.5669 8.883243 ?        ?        0.000000       8.883243 
1 1 1 -26 5  6  o 173.0511 8.183620 2596.284       241.8364 2596.284       241.8364 0.000000       0.000000 173.0511 8.183620 ?        ?        0.000000       8.183620 
1 1 1 -26 5  7  o 82.93129 11.03984 612.8175       152.4605 612.8175       152.4605 0.000000       0.000000 82.93129 11.03984 ?        ?        0.000000       11.03984 
1 1 1 -26 5  8  o 70.48793 11.05787 445.1301       128.7236 445.1301       128.7236 0.000000       0.000000 70.48793 11.05787 ?        ?        0.000000       11.05787 
1 1 1 -26 5  9  o 158.1788 7.984912 2170.992       214.9882 2170.992       214.9882 0.000000       0.000000 158.1788 7.984912 ?        ?        0.000000       7.984912 
1 1 1 -26 5  10 o 107.9585 8.788905 1018.040       160.6229 1018.040       160.6229 0.000000       0.000000 107.9585 8.788905 ?        ?        0.000000       8.788905 
1 1 1 -26 5  11 o 30.36205 12.94285 5.393732       118.1457 5.393732       118.1457 0.000000       0.000000 30.36205 12.94285 ?        ?        0.000000       12.94285 
1 1 1 -26 5  12 o 133.5966 8.447578 1553.984       191.7289 1553.984       191.7289 0.000000       0.000000 133.5966 8.447578 ?        ?        0.000000       8.447578 
1 1 1 -26 5  13 o 60.23436 13.99449 335.6659       141.2007 335.6659       141.2007 0.000000       0.000000 60.23436 13.99449 ?        ?        0.000000       13.99449 
1 1 1 -26 5  14 o 96.20551 10.44516 819.4288       168.8430 819.4288       168.8430 0.000000       0.000000 96.20551 10.44516 ?        ?        0.000000       10.44516 
1 1 1 -26 5  15 o 55.78759 19.29518 275.0348       223.7662 275.0348       223.7662 0.000000       0.000000 55.78759 19.29518 ?        ?        0.000000       19.29518 
1 1 1 -26 5  16 o 274.4696 10.30085 6613.290       482.8022 6613.290       482.8022 0.000000       0.000000 274.4696 10.30085 ?        ?        0.000000       10.30085 
1 1 1 -26 5  17 o 87.23888 20.88626 754.7191       307.0244 754.7191       307.0244 0.000000       0.000000 87.23888 20.88626 ?        ?        0.000000       20.88626 
1 1 1 -26 5  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 5  19 o 67.35703 25.41671 434.8305       399.0969 0.000000       0.000000 434.8305       399.0969 ?        ?        67.35703 25.41671 0.000000       25.41671 
1 1 1 -26 5  20 o 51.79686 21.28681 168.9742       302.3200 0.000000       0.000000 168.9742       302.3200 ?        ?        51.79686 21.28681 0.000000       21.28681 
1 1 1 -26 5  21 o 102.2256 18.29214 1037.256       307.5964 0.000000       0.000000 1037.256       307.5964 ?        ?        102.2256 18.29214 0.000000       18.29214 
1 1 1 -26 5  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 5  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 5  24 o 73.48663 21.40496 607.5904       284.9792 0.000000       0.000000 607.5904       284.9792 ?        ?        73.48663 21.40496 0.000000       21.40496 
1 1 1 -26 5  25 o 66.94797 22.49891 533.3479       303.8602 0.000000       0.000000 533.3479       303.8602 ?        ?        66.94797 22.49891 0.000000       22.49891 
1 1 1 -26 5  26 o 71.30408 19.25212 572.9965       239.9036 0.000000       0.000000 572.9965       239.9036 ?        ?        71.30408 19.25212 0.000000       19.25212 
1 1 1 -26 5  27 o 53.50033 19.13346 325.3790       221.3523 0.000000       0.000000 325.3790       221.3523 ?        ?        53.50033 19.13346 0.000000       19.13346 
1 1 1 -26 5  28 o 91.72411 14.11329 860.7960       213.9755 1127.483       349.2169 700.4850       270.7547 94.47104 22.04878 75.27514 20.50641 19.19590       30.11082 
1 1 1 -26 5  29 o 71.25862 16.58323 577.1096       198.0062 674.3392       318.2302 515.6888       252.9299 67.08025 23.02114 61.94352 20.52078 5.136723       30.83951 
1 1 1 -26 5  30 o 78.84036 13.00553 651.7631       168.9908 501.3932       248.9621 780.2402       230.1259 59.10075 20.35756 81.02183 17.16632 -21.92108      26.62917 
1 1 1 -26 5  31 o 30.37853 13.87407 -1.820654      160.3192 -437.4087      264.4622 251.2560       201.5819 27.28947 13.64392 44.24146 17.67080 -16.95199      22.32519 
1 1 1 -26 5  32 o 59.01890 15.45558 423.6701       157.6122 259.4097       250.8197 530.8570       202.6124 43.15965 18.63507 62.47068 18.00606 -19.31103      25.91301 
1 1 1 -26 5  33 o 24.29991 11.53977 -73.12292      129.6585 -379.0332      185.7086 217.8167       181.1076 22.05397 11.08346 40.08784 16.47539 -18.03387      19.85653 
1 1 1 -26 6  1  o 30.84763 15.22629 -564.5746      290.1962 0.000000       0.000000 -564.5746      290.1962 ?        ?        30.84763 15.22629 0.000000       15.22629 
1 1 1 -26 6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 6  4  o 66.34309 11.64290 400.8059       127.0931 400.8059       127.0931 0.000000       0.000000 66.34309 11.64290 ?        ?        0.000000       11.64290 
1 1 1 -26 6  5  o 146.4833 8.027308 1870.071       200.0336 1870.071       200.0336 0.000000       0.000000 146.4833 8.027308 ?        ?        0.000000       8.027308 
1 1 1 -26 6  6  o 46.68757 14.25186 198.1725       124.0287 198.1725       124.0287 0.000000       0.000000 46.68757 14.25186 ?        ?        0.000000       14.25186 
1 1 1 -26 6  7  o 88.80770 11.64840 707.0902       172.3920 707.0902       172.3920 0.000000       0.000000 88.80770 11.64840 ?        ?        0.000000       11.64840 
1 1 1 -26 6  8  o 219.5988 8.820677 4196.718       330.7759 4196.718       330.7759 0.000000       0.000000 219.5988 8.820677 ?        ?        0.000000       8.820677 
1 1 1 -26 6  9  o 107.5318 9.403769 1015.799       170.9432 1015.799       170.9432 0.000000       0.000000 107.5318 9.403769 ?        ?        0.000000       9.403769 
1 1 1 -26 6  10 o 88.84595 9.406979 695.7633       140.5507 695.7633       140.5507 0.000000       0.000000 88.84595 9.406979 ?        ?        0.000000       9.406979 
1 1 1 -26 6  11 o 58.70585 12.86387 317.2370       125.3975 317.2370       125.3975 0.000000       0.000000 58.70585 12.86387 ?        ?        0.000000       12.86387 
1 1 1 -26 6  12 o 150.8577 8.054452 1980.280       206.7435 1980.280       206.7435 0.000000       0.000000 150.8577 8.054452 ?        ?        0.000000       8.054452 
1 1 1 -26 6  13 o 51.65897 14.05962 247.5510       127.3459 247.5510       127.3459 0.000000       0.000000 51.65897 14.05962 ?        ?        0.000000       14.05962 
1 1 1 -26 6  14 o 89.39091 10.11234 709.2378       151.6495 709.2378       151.6495 0.000000       0.000000 89.39091 10.11234 ?        ?        0.000000       10.11234 
1 1 1 -26 6  15 o 182.4333 9.525263 2921.997       295.7154 2921.997       295.7154 0.000000       0.000000 182.4333 9.525263 ?        ?        0.000000       9.525263 
1 1 1 -26 6  16 o 179.4772 10.85857 2857.006       331.2339 2857.006       331.2339 0.000000       0.000000 179.4772 10.85857 ?        ?        0.000000       10.85857 
1 1 1 -26 6  17 o 129.8398 10.65806 1501.234       234.2286 1912.072       301.6045 876.9005       371.8012 145.7124 12.23426 91.72494 23.60034 53.98751       26.58295 
1 1 1 -26 6  18 o 66.77953 19.30587 444.3781       232.6064 546.2694       288.6443 255.6434       392.8443 72.95112 21.62453 59.33558 24.31124 13.61554       32.53701 
1 1 1 -26 6  19 o 30.97927 14.38971 -127.8266      183.0680 -172.5676      234.3528 -57.78328      293.2250 34.36832 16.06906 42.50201 19.15155 -8.133690      24.99993 
1 1 1 -26 6  20 o 36.85503 17.38387 -223.5095      284.9749 0.000000       0.000000 -223.5095      284.9749 ?        ?        36.85503 17.38387 0.000000       17.38387 
1 1 1 -26 6  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 6  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 6  23 f 34.05202 16.67558 -466.6887      326.4738 0.000000       0.000000 -466.6887      326.4738 ?        ?        34.05202 16.67558 0.000000       16.67558 
1 1 1 -26 6  24 o 46.47250 19.15161 163.9051       245.5541 0.000000       0.000000 163.9051       245.5541 ?        ?        46.47250 19.15161 0.000000       19.15161 
1 1 1 -26 6  25 o 70.57300 19.35964 559.9053       240.3373 0.000000       0.000000 559.9053       240.3373 ?        ?        70.57300 19.35964 0.000000       19.35964 
1 1 1 -26 6  26 o 39.11143 17.10376 58.79104       216.9620 0.000000       0.000000 58.79104       216.9620 ?        ?        39.11143 17.10376 0.000000       17.10376 
1 1 1 -26 6  27 o 85.51146 16.23651 782.1007       228.4222 0.000000       0.000000 782.1007       228.4222 ?        ?        85.51146 16.23651 0.000000       16.23651 
1 1 1 -26 6  28 o 58.25779 17.66689 401.9165       191.0481 527.6044       293.5932 309.6077       251.6060 61.15058 22.01794 50.30553 19.85244 10.84505       29.64640 
1 1 1 -26 6  29 o 44.77478 17.12284 232.7614       182.6589 120.8337       258.5552 344.2805       258.0828 40.68508 18.18504 50.36925 20.03364 -9.684170      27.05628 
1 1 1 -26 6  30 o 50.45679 17.94814 337.2289       194.5267 26.56849       295.3018 575.3769       258.5513 37.89105 17.81828 62.00090 20.75422 -24.10984      27.35377 
1 1 1 -26 6  31 o 31.94359 14.63133 12.17847       180.0268 -103.2531      271.2522 103.0521       240.6745 33.23545 16.02262 37.70083 17.13306 -4.465378      23.45775 
1 1 1 -26 6  32 o 72.81893 15.01355 632.9685       180.4901 935.0264       263.2984 365.2077       247.9001 81.30302 19.26038 46.95418 19.28387 34.34884       27.25491 
1 1 1 -26 6  33 o 39.16249 15.87862 204.9782       165.4427 209.3461       254.4097 201.7775       217.7801 38.94036 17.66505 38.65511 17.01403 0.2852554      24.52614 
1 1 1 -26 7  1  o 37.34815 13.36435 113.2837       108.0067 116.9340       117.4210 93.21886       275.2950 38.27641 13.90315 47.08311 19.90041 -8.806702      24.27600 
1 1 1 -26 7  2  o 192.9775 8.208497 3256.306       270.5031 3256.306       270.5031 0.000000       0.000000 192.9775 8.208497 ?        ?        0.000000       8.208497 
1 1 1 -26 7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 7  5  o 81.72198 9.891335 595.8461       135.2265 595.8461       135.2265 0.000000       0.000000 81.72198 9.891335 ?        ?        0.000000       9.891335 
1 1 1 -26 7  6  f 71.89337 12.83614 475.7042       151.8071 475.7042       151.8071 0.000000       0.000000 71.89337 12.83614 ?        ?        0.000000       12.83614 
1 1 1 -26 7  7  o 194.9314 8.482883 3314.555       282.3756 3314.555       282.3756 0.000000       0.000000 194.9314 8.482883 ?        ?        0.000000       8.482883 
1 1 1 -26 7  8  f 142.9636 8.111869 1784.069       197.2221 1784.069       197.2221 0.000000       0.000000 142.9636 8.111869 ?        ?        0.000000       8.111869 
1 1 1 -26 7  9  o 93.83014 9.668814 779.3859       152.7045 779.3859       152.7045 0.000000       0.000000 93.83014 9.668814 ?        ?        0.000000       9.668814 
1 1 1 -26 7  10 o 167.7129 7.785122 2443.397       222.9636 2443.397       222.9636 0.000000       0.000000 167.7129 7.785122 ?        ?        0.000000       7.785122 
1 1 1 -26 7  11 o 119.2456 8.868568 1248.069       179.2997 1248.069       179.2997 0.000000       0.000000 119.2456 8.868568 ?        ?        0.000000       8.868568 
1 1 1 -26 7  12 o 145.1803 8.486070 1843.716       209.4698 1843.716       209.4698 0.000000       0.000000 145.1803 8.486070 ?        ?        0.000000       8.486070 
1 1 1 -26 7  13 o 101.1886 9.730823 906.8747       166.0713 906.8747       166.0713 0.000000       0.000000 101.1886 9.730823 ?        ?        0.000000       9.730823 
1 1 1 -26 7  14 o 127.4975 9.489294 1434.625       205.1240 1434.625       205.1240 0.000000       0.000000 127.4975 9.489294 ?        ?        0.000000       9.489294 
1 1 1 -26 7  15 o 137.1051 9.943310 1665.665       231.2192 1665.665       231.2192 0.000000       0.000000 137.1051 9.943310 ?        ?        0.000000       9.943310 
1 1 1 -26 7  16 o 62.84625 17.70527 386.9864       198.1349 330.7822       226.8685 567.6655       406.7651 58.59827 19.43590 73.32167 25.96745 -14.72340      32.43552 
1 1 1 -26 7  17 o 121.1664 10.10683 1310.504       207.2133 1397.341       263.5517 1169.921       335.3353 123.6578 12.65925 109.0205 18.68464 14.63735       22.56928 
1 1 1 -26 7  18 f 128.4785 9.021988 1463.422       196.6855 1727.759       244.4902 978.5563       331.1255 138.8354 10.38766 97.65605 20.50864 41.17938       22.98930 
1 1 1 -26 7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 7  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 7  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 7  22 o 91.96461 13.41608 807.8162       204.4892 576.3853       300.1346 1008.323       279.3639 70.97700 22.25505 99.95291 16.97427 -28.97591      27.98952 
1 1 1 -26 7  23 o 30.06578 14.59625 -304.7915      235.2249 0.000000       0.000000 -304.7915      235.2249 ?        ?        30.06578 14.59625 0.000000       14.59625 
1 1 1 -26 7  24 o 99.38221 15.55390 999.4703       255.3107 0.000000       0.000000 999.4703       255.3107 ?        ?        99.38221 15.55390 0.000000       15.55390 
1 1 1 -26 7  25 o 56.06459 19.34185 358.8224       224.7811 0.000000       0.000000 358.8224       224.7811 ?        ?        56.06459 19.34185 0.000000       19.34185 
1 1 1 -26 7  26 o 48.00813 19.70384 232.3908       258.6051 0.000000       0.000000 232.3908       258.6051 ?        ?        48.00813 19.70384 0.000000       19.70384 
1 1 1 -26 7  27 o 43.48660 18.66463 162.3452       248.7354 0.000000       0.000000 162.3452       248.7354 ?        ?        43.48660 18.66463 0.000000       18.66463 
1 1 1 -26 7  28 o 42.90019 18.73705 170.5146       259.6499 0.000000       0.000000 170.5146       259.6499 ?        ?        42.90019 18.73705 0.000000       18.73705 
1 1 1 -26 7  29 o 50.93698 18.38977 345.5785       204.9823 618.7325       329.3544 172.8746       261.8851 59.71552 22.95548 41.82946 18.52193 17.88605       29.49604 
1 1 1 -26 7  30 o 36.32248 15.45379 116.8085       167.8428 485.8108       298.0464 -54.55921      203.1112 53.36924 21.42644 31.21461 14.70894 22.15463       25.98933 
1 1 1 -26 7  31 o 33.71706 14.63930 89.56990       156.5258 -215.9865      264.5994 254.0572       194.1375 30.14371 14.81259 43.20230 17.31104 -13.05859      22.78343 
1 1 1 -26 7  32 o 37.70067 15.24902 174.8814       152.1863 -63.09975      257.4395 302.7226       188.6859 31.97951 15.46427 44.93357 17.34707 -12.95405      23.23929 
1 1 1 -26 8  1  o 45.93894 13.35402 198.9403       111.0194 193.4409       119.5480 233.4099       299.2983 45.43771 14.01283 54.00956 21.54490 -8.571857      25.70101 
1 1 1 -26 8  2  o 129.3132 8.212967 1472.481       180.4207 1472.481       180.4207 0.000000       0.000000 129.3132 8.212967 ?        ?        0.000000       8.212967 
1 1 1 -26 8  3  f 31.00299 12.93801 28.92566       114.0703 28.92566       114.0703 0.000000       0.000000 31.00299 12.93801 ?        ?        0.000000       12.93801 
1 1 1 -26 8  4  o 129.2762 8.365061 1469.812       183.6774 1469.812       183.6774 0.000000       0.000000 129.2762 8.365061 ?        ?        0.000000       8.365061 
1 1 1 -26 8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 8  8  o 165.2300 7.921482 2382.017       223.5101 2382.017       223.5101 0.000000       0.000000 165.2300 7.921482 ?        ?        0.000000       7.921482 
1 1 1 -26 8  9  o 78.17695 12.16516 559.2949       157.1238 559.2949       157.1238 0.000000       0.000000 78.17695 12.16516 ?        ?        0.000000       12.16516 
1 1 1 -26 8  10 o 101.7429 8.978588 914.9373       154.3961 914.9373       154.3961 0.000000       0.000000 101.7429 8.978588 ?        ?        0.000000       8.978588 
1 1 1 -26 8  11 o 78.75164 9.001422 550.9464       118.8775 550.9464       118.8775 0.000000       0.000000 78.75164 9.001422 ?        ?        0.000000       9.001422 
1 1 1 -26 8  12 o 75.22827 13.03518 524.4072       161.3887 524.4072       161.3887 0.000000       0.000000 75.22827 13.03518 ?        ?        0.000000       13.03518 
1 1 1 -26 8  13 o 65.04575 12.70511 393.7303       136.0616 393.7303       136.0616 0.000000       0.000000 65.04575 12.70511 ?        ?        0.000000       12.70511 
1 1 1 -26 8  14 o 74.29432 10.86542 501.2884       133.7746 609.9181       144.9639 -122.0060      347.2419 82.19696 10.57277 44.19522 20.27145 38.00174       22.86297 
1 1 1 -26 8  15 o 44.34081 15.51524 172.4165       144.8833 238.6088       162.0049 -92.01848      323.8052 50.34311 16.41099 43.38216 19.77584 6.960949       25.69834 
1 1 1 -26 8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 8  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 8  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 8  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 8  20 o 94.71435 11.98270 835.6249       189.4728 888.0753       247.6199 761.5379       294.2943 94.91373 15.83553 83.76770 20.69422 11.14603       26.05791 
1 1 1 -26 8  21 o 87.67069 12.59019 728.4280       183.0811 1119.336       250.6243 281.1430       268.0886 107.8301 13.93686 53.52908 20.67404 54.30107       24.93295 
1 1 1 -26 8  22 o 129.1481 9.118457 1508.272       199.8073 2092.816       286.5810 955.3430       278.7233 150.0923 11.26330 95.59711 17.72638 54.49515       21.00206 
1 1 1 -26 8  23 f 60.32557 16.55761 385.6912       175.7450 312.7569       264.8819 443.0459       234.8934 53.79620 20.60854 62.36374 19.70692 -8.567539      28.51446 
1 1 1 -26 8  24 o 89.42772 12.13156 771.1154       180.4816 1362.500       281.7518 359.5935       235.0327 116.5623 14.46585 55.91386 19.74564 60.64843       24.47757 
1 1 1 -26 8  25 o 81.02505 12.23818 642.6880       164.0546 463.7185       238.4950 803.4293       226.0235 61.83212 19.89143 87.34806 15.73158 -25.51594      25.36044 
1 1 1 -26 8  26 o 43.24506 18.62867 156.0260       249.4755 0.000000       0.000000 156.0260       249.4755 ?        ?        43.24506 18.62867 0.000000       18.62867 
1 1 1 -26 8  27 o 42.13751 18.56834 148.4217       260.1007 0.000000       0.000000 148.4217       260.1007 ?        ?        42.13751 18.56834 0.000000       18.56834 
1 1 1 -26 8  28 o 51.03431 20.29659 378.4075       264.8832 0.000000       0.000000 378.4075       264.8832 ?        ?        51.03431 20.29659 0.000000       20.29659 
1 1 1 -26 8  29 o 111.0548 10.14118 1211.624       190.1994 984.8164       309.1220 1349.800       241.2775 81.65743 21.77083 113.2451 12.69508 -31.58772      25.20187 
1 1 1 -26 8  30 o 41.93438 15.54008 216.2871       147.8518 491.0872       218.1835 -17.05654      201.0534 57.74540 19.05580 31.75129 14.85759 25.99410       24.16344 
1 1 1 -26 8  31 o 80.32977 12.19185 701.6970       161.9896 488.3419       257.3919 841.6265       208.4481 51.93088 20.20114 83.42159 15.19219 -31.49071      25.27625 
1 1 1 -26 9  1  o 131.3953 6.734861 1510.079       150.6081 1408.002       179.2973 1754.713       277.5671 126.0460 8.377663 138.3240 11.86569 -12.27798      14.52515 
1 1 1 -26 9  2  o 30.48191 12.40184 43.28371       101.3327 92.96915       111.5004 -192.4752      242.8823 35.48390 13.42362 34.16608 16.09515 1.317818       20.95823 
1 1 1 -26 9  3  o 114.7558 7.300844 1155.460       142.3266 1293.889       166.5827 781.2227       273.8987 121.0905 8.102730 87.76416 18.83889 33.32633       20.50751 
1 1 1 -26 9  4  o 121.2726 9.174526 1308.086       188.5920 1308.086       188.5920 0.000000       0.000000 121.2726 9.174526 ?        ?        0.000000       9.174526 
1 1 1 -26 9  5  o 26.96786 11.96394 -26.00931      109.7713 -26.00931      109.7713 0.000000       0.000000 26.96786 11.96394 ?        ?        0.000000       11.96394 
1 1 1 -26 9  6  o 93.50055 10.78594 790.4479       169.0574 790.4479       169.0574 0.000000       0.000000 93.50055 10.78594 ?        ?        0.000000       10.78594 
1 1 1 -26 9  7  o 100.6846 9.225916 901.7681       156.8620 901.7681       156.8620 0.000000       0.000000 100.6846 9.225916 ?        ?        0.000000       9.225916 
1 1 1 -26 9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 9  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 9  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 9  16 o 56.81186 13.92681 311.9672       134.0674 520.8985       142.6387 -1271.403      392.6694 75.06005 11.49424 29.35757 14.90881 45.70248       18.82526 
1 1 1 -26 9  17 o 18.97007 9.507244 -355.2938      132.0143 -305.0063      141.7101 -685.5148      363.1394 21.13982 10.47192 33.51839 16.63164 -12.37856      19.65381 
1 1 1 -26 9  18 o 68.69342 11.15236 438.6699       126.3363 382.0240       140.3337 680.8846       290.1873 62.89023 13.47271 78.71797 21.14023 -15.82774      25.06838 
1 1 1 -26 9  19 o 43.55482 15.72744 172.2914       149.9368 257.6107       182.7904 -3.174249      262.1356 50.82956 17.44729 40.81802 18.27273 10.01153       25.26461 
1 1 1 -26 9  20 o 44.63710 15.06002 192.3408       136.1503 255.3051       163.3438 49.03041       246.4304 50.22509 16.48384 41.47890 18.18137 8.746193       24.54138 
1 1 1 -26 9  21 o 45.18261 15.97022 198.2306       153.7804 239.4127       202.6010 142.2557       236.2020 49.04562 18.18803 44.65192 18.62435 4.393703       26.03212 
1 1 1 -26 9  22 o 97.21695 11.09490 889.2068       180.8914 985.1245       229.6982 732.5871       293.5158 99.96422 13.82598 78.53757 21.33257 21.42664       25.42118 
1 1 1 -26 9  23 o 44.49076 16.58812 194.7461       168.9735 277.0440       218.1773 71.39371       267.1092 50.55401 18.84911 42.08525 18.66701 8.468765       26.52821 
1 1 1 -26 9  24 o 47.81180 16.12683 246.1953       156.1222 34.12705       231.0332 424.4223       211.7987 38.26205 17.13966 60.00100 18.67604 -21.73895      25.34881 
1 1 1 -26 9  25 o 41.96375 15.89052 179.6656       156.3443 53.49092       245.0361 266.3013       203.0450 38.93555 17.52935 48.09430 18.13367 -9.158749      25.22118 
1 1 1 -26 9  26 o 28.44183 13.35996 -84.48666      165.2369 -11.41908      254.1124 -138.0145      217.4972 36.44226 16.93596 30.80094 14.71605 5.641317       22.43633 
1 1 1 -26 9  27 o 22.61944 11.31111 -379.7107      182.1321 -639.6174      263.3729 -141.4986      252.1414 25.06137 12.66930 32.34515 15.55657 -7.283775      20.06285 
1 1 1 -26 9  28 o 57.51875 17.71115 431.0313       191.0624 478.2963       286.1360 393.0010       256.6660 54.14091 21.23289 51.01299 20.07667 3.127918       29.22171 
1 1 1 -26 9  29 o 26.70689 13.01492 -183.4570      191.9271 0.000000       0.000000 -183.4570      191.9271 ?        ?        26.70689 13.01492 0.000000       13.01492 
1 1 1 -26 9  30 o 35.85600 15.07778 138.1150       156.7352 97.72094       273.3908 157.8915       191.2933 36.73357 17.23237 37.39078 16.20898 -0.6572113     23.65767 
1 1 1 -26 10 1  o 71.90525 10.00103 473.8709       119.4775 499.9129       131.3110 348.6070       287.9894 73.49514 10.78331 57.75370 21.63169 15.74144       24.17044 
1 1 1 -26 10 2  o 66.18558 10.66322 404.8402       116.4240 389.3157       126.6181 489.7721       296.1572 64.26705 11.97802 66.34816 22.21232 -2.081108      25.23609 
1 1 1 -26 10 3  o 52.99422 14.05634 273.3665       129.2901 262.1227       143.4425 322.0604       298.5103 51.66714 15.22535 57.26981 21.89225 -5.602676      26.66612 
1 1 1 -26 10 4  o 164.9509 6.886434 2378.264       193.9774 2603.894       229.4666 1813.321       363.0985 172.0281 7.811205 136.8414 15.83063 35.18671       17.65287 
1 1 1 -26 10 5  o 49.92515 13.56311 239.9066       118.6369 239.9066       118.6369 0.000000       0.000000 49.92515 13.56311 ?        ?        0.000000       13.56311 
1 1 1 -26 10 6  o 83.29610 11.37876 638.2458       157.6198 638.2458       157.6198 0.000000       0.000000 83.29610 11.37876 ?        ?        0.000000       11.37876 
1 1 1 -26 10 7  o 41.69648 13.88688 158.3813       115.7741 158.3813       115.7741 0.000000       0.000000 41.69648 13.88688 ?        ?        0.000000       13.88688 
1 1 1 -26 10 8  o 123.0116 9.994702 1360.151       208.1355 1360.151       208.1355 0.000000       0.000000 123.0116 9.994702 ?        ?        0.000000       9.994702 
1 1 1 -26 10 9  o 146.6546 10.48613 1939.130       260.8786 1939.130       260.8786 0.000000       0.000000 146.6546 10.48613 ?        ?        0.000000       10.48613 
1 1 1 -26 10 10 o 141.0043 9.631411 1778.700       230.5252 1778.700       230.5252 0.000000       0.000000 141.0043 9.631411 ?        ?        0.000000       9.631411 
1 1 1 -26 10 11 o 94.85816 10.16412 813.7197       162.0803 791.3575       186.3348 883.2357       328.5332 92.49673 12.08581 90.82251 21.51375 1.674225       24.67606 
1 1 1 -26 10 12 o 86.05726 8.796350 662.0424       127.4512 801.5407       139.8660 -20.75289      309.4375 94.79115 8.738972 43.89884 19.73739 50.89231       21.58551 
1 1 1 -26 10 13 o 94.46124 19.56015 926.4047       305.1347 0.000000       0.000000 926.4047       305.1347 ?        ?        94.46124 19.56015 0.000000       19.56015 
1 1 1 -26 10 14 o 97.97492 8.918051 859.3945       147.5729 734.1979       162.5529 1446.281       351.9457 89.50887 10.85691 120.1229 17.68664 -30.61405      20.75306 
1 1 1 -26 10 15 o 46.31148 13.03245 206.2424       107.4139 292.4892       116.1871 -301.0160      281.7743 55.24937 12.59478 34.20596 16.44998 21.04341       20.71787 
1 1 1 -26 10 16 o 38.21918 14.14964 120.8225       122.5190 -32.75666      136.6607 749.8032       276.5642 29.43824 13.18492 83.70119 19.68024 -54.26295      23.68869 
1 1 1 -26 10 17 o 42.56234 13.24443 173.3395       106.5255 228.4451       116.3112 -113.4240      265.3296 48.30237 13.55050 37.38749 17.35171 10.91488       22.01586 
1 1 1 -26 10 18 o 22.87024 10.91867 -136.2266      119.2614 -197.0616      129.8745 191.0206       301.2209 22.25826 10.81507 49.73886 20.90835 -27.48061      23.53985 
1 1 1 -26 10 19 o 34.96222 13.74626 87.31059       120.2142 110.5386       139.1361 18.90772       238.7649 37.91786 14.82395 39.52511 17.58447 -1.607250      22.99920 
1 1 1 -26 10 20 o 31.24328 12.58460 58.71303       103.1839 65.55733       115.6649 32.03456       228.3587 32.82909 13.28858 39.11638 17.30940 -6.287292      21.82204 
1 1 1 -26 10 21 o 42.54479 14.66759 177.8549       129.2544 111.1257       146.6703 409.8452       273.4759 37.94900 15.09977 58.45650 21.22013 -20.50750      26.04414 
1 1 1 -26 10 22 o 33.30776 13.97704 57.26188       134.2308 83.55636       172.8476 17.30946       213.0604 37.41011 15.78794 36.82111 16.47929 0.5889931      22.82161 
1 1 1 -26 10 23 o 56.93638 13.52202 335.5676       129.5169 394.2021       163.0527 235.3213       213.1990 60.01751 15.72150 46.72179 18.32652 13.29573       24.14595 
1 1 1 -26 10 24 o 50.10474 15.32720 279.3445       143.3578 397.4989       200.6758 156.2041       204.8662 56.98781 18.23716 41.44923 17.32155 15.53858       25.15214 
1 1 1 -26 10 25 o 43.87599 16.32639 217.9388       163.5232 79.30136       205.0531 460.1261       271.0202 37.18931 16.43219 56.29589 21.00453 -19.10658      26.66847 
1 1 1 -26 10 26 o 30.03087 13.56796 0.8469755      148.3098 -97.29307      210.4473 97.68186       209.0432 30.94440 14.69708 37.56760 16.59573 -6.623194      22.16805 
1 1 1 -26 10 27 o 44.64413 16.59127 246.1181       168.7673 -78.26319      287.6209 416.4460       208.4181 34.93481 16.75292 54.95833 18.63261 -20.02352      25.05662 
1 1 1 -26 10 28 o 48.38335 17.74559 328.4960       191.9602 363.2264       304.6083 305.6174       247.2301 46.59605 20.32439 45.28489 18.98416 1.311157       27.81149 
1 1 1 -26 10 29 o 32.05740 14.33821 60.13179       161.0211 -56.92112      301.4647 106.8566       190.4668 34.04193 16.52602 35.15483 15.66816 -1.112892      22.77280 
1 1 1 -26 11 1  o 90.23242 7.629098 727.2109       116.4525 812.5147       132.3952 435.6214       244.7788 95.07142 8.236305 62.01850 20.17023 33.05292       21.78704 
1 1 1 -26 11 2  o 64.67397 10.47581 390.0246       111.7391 472.3957       126.7831 103.4136       236.4941 71.13551 10.77425 43.14533 18.35002 27.99018       21.27928 
1 1 1 -26 11 3  f 34.22453 12.82142 92.19086       101.1837 86.93547       111.9621 115.6114       236.3562 34.53825 13.35456 43.91985 18.49461 -9.381603      22.81216 
1 1 1 -26 11 4  o 135.5492 6.773757 1611.453       156.7937 1713.759       187.2058 1371.043       286.9759 138.9108 7.924739 119.0635 14.40766 19.84732       16.44331 
1 1 1 -26 11 5  f 31.83348 12.66712 61.10048       103.2236 20.33016       110.0280 360.4769       298.1535 29.52065 12.53485 58.47800 21.98908 -28.95735      25.31091 
1 1 1 -26 11 6  o 68.53919 14.17489 458.0279       160.4292 458.0279       160.4292 0.000000       0.000000 68.53919 14.17489 ?        ?        0.000000       14.17489 
1 1 1 -26 11 7  f 33.96408 13.63113 68.10971       120.5833 68.10971       120.5833 0.000000       0.000000 33.96408 13.63113 ?        ?        0.000000       13.63113 
1 1 1 -26 11 8  o 83.24786 12.75333 655.1386       175.5239 655.1386       175.5239 0.000000       0.000000 83.24786 12.75333 ?        ?        0.000000       12.75333 
1 1 1 -26 11 9  o 90.20252 11.27470 752.2872       169.8771 710.3155       179.8394 1099.942       517.5843 86.89723 12.47725 90.09152 29.33162 -3.194290      31.87516 
1 1 1 -26 11 10 o 60.45419 17.21618 376.1995       186.2960 390.0595       201.4857 294.5350       489.0793 61.15174 18.05167 59.31229 25.81483 1.839451       31.50029 
1 1 1 -26 11 11 o 39.99743 15.04101 131.3496       139.5065 168.3094       161.2583 21.39933       278.1349 43.78084 16.22835 42.80309 19.01386 0.9777565      24.99772 
1 1 1 -26 11 12 o 53.18053 15.14287 282.3869       144.1367 322.5403       169.6204 178.0552       273.4167 56.22341 16.55318 48.79626 20.16871 7.427151       26.09185 
1 1 1 -26 11 13 o 75.12937 12.82308 539.2556       158.6098 586.2974       179.5484 372.1169       338.4373 77.60613 14.06621 59.05677 23.11101 18.54936       27.05508 
1 1 1 -26 11 14 o 78.81927 9.617458 567.2060       126.7632 576.3636       141.4774 529.9233       285.4627 78.82339 10.79425 67.92375 21.75278 10.89964       24.28372 
1 1 1 -26 11 15 o 108.7841 7.823526 1054.540       144.3643 1113.174       166.2976 875.1984       290.8371 111.1528 8.834070 89.92493 19.50107 21.22783       21.40870 
1 1 1 -26 11 16 o 86.09851 8.471294 668.5067       122.9384 783.3149       133.0375 -2.718119      321.6781 93.26805 8.444515 43.50914 19.78609 49.75891       21.51277 
1 1 1 -26 11 17 o 20.25171 9.805119 -151.9001      104.2955 -135.4589      116.1721 -220.2013      236.7827 22.40675 10.71916 31.92641 15.28116 -9.519657      18.66586 
1 1 1 -26 11 18 o 52.62273 13.47141 277.5776       121.5725 240.0803       134.1783 449.4810       287.2928 48.50748 14.82666 61.10398 21.80368 -12.59649      26.36722 
1 1 1 -26 11 19 f 67.08715 11.11057 429.8272       122.8305 421.6505       143.9208 451.7554       235.6865 64.91706 13.42580 62.08057 19.75326 2.836487       23.88396 
1 1 1 -26 11 20 o 58.64047 11.05211 332.2560       106.6144 311.1667       121.1650 404.5820       224.3851 55.51373 13.00855 58.43570 19.32671 -2.921970      23.29687 
1 1 1 -26 11 21 f 22.73371 10.79739 -107.8548      113.5840 -234.4113      126.8443 404.2768       255.1640 20.49011 10.10501 56.54015 20.50152 -36.05003      22.85659 
1 1 1 -26 11 22 o 40.57947 13.89333 169.2944       115.8890 181.3504       139.5894 142.5533       207.8930 41.78925 15.16196 41.05878 17.32050 0.7304726      23.01923 
1 1 1 -26 11 23 f 71.04899 11.40741 501.9017       133.7203 404.0040       155.2049 783.9050       263.4185 60.34459 15.09847 78.79410 19.64526 -18.44950      24.77700 
1 1 1 -26 11 24 o 27.14039 12.18582 -7.714889      117.5015 8.825261       139.7646 -47.58604      216.9986 29.92641 13.37362 33.04714 15.45492 -3.120733      20.43792 
1 1 1 -26 11 25 o 26.49453 12.47387 -80.19763      145.4930 -14.86879      204.6850 -146.9148      206.8484 33.05195 15.30441 29.33037 14.10248 3.721579       20.81118 
1 1 1 -26 11 26 o 63.95152 13.88230 455.3477       147.2559 214.6388       202.6692 724.5314       214.3217 42.06976 17.37448 77.18795 16.74162 -35.11819      24.12787 
1 1 1 -26 11 27 o 34.79317 14.45308 117.4158       141.4206 336.9946       200.3971 -100.4265      199.6031 48.12481 18.04081 29.09319 13.95277 19.03162       22.80681 
1 1 1 -26 11 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 12 1  o 144.2883 6.377846 1832.662       157.1474 1885.105       189.5299 1717.299       281.1039 145.1936 7.671359 133.7695 12.44863 11.42413       14.62252 
1 1 1 -26 12 2  o 68.72026 9.050753 433.9380       103.6275 464.7013       115.2708 304.3207       236.6109 70.73086 9.807437 52.84735 19.64401 17.88350       21.95616 
1 1 1 -26 12 3  o 53.52196 10.94687 273.8453       96.67770 283.6766       106.0396 225.4270       235.3246 54.05812 11.81669 48.43083 19.17180 5.627293       22.52093 
1 1 1 -26 12 4  o 99.15060 7.969731 882.7695       133.8000 1007.497       155.8288 532.7896       261.0285 105.4534 8.731930 67.47832 20.68890 37.97507       22.45612 
1 1 1 -26 12 5  o 36.97018 13.43081 119.4768       109.5842 18.65181       121.4753 560.1500       253.9583 30.28761 13.02276 70.02583 20.15171 -39.73822      23.99341 
1 1 1 -26 12 6  o 150.2126 7.443125 1999.647       190.9253 2008.636       225.2042 1976.676       360.0081 149.1814 8.880316 140.9830 15.19356 8.198410       17.59841 
1 1 1 -26 12 7  o 45.90131 15.80548 206.9511       150.0648 206.9511       150.0648 0.000000       0.000000 45.90131 15.80548 ?        ?        0.000000       15.80548 
1 1 1 -26 12 8  o 43.68436 14.17952 185.6279       120.9914 160.3893       124.9136 568.6939       486.6464 41.39977 14.41085 65.62395 26.99284 -24.22418      30.59879 
1 1 1 -26 12 9  o 42.67369 14.24069 174.8400       121.7264 171.5278       124.5948 244.3008       570.5786 42.42096 14.40629 57.39723 26.19822 -14.97627      29.89796 
1 1 1 -26 12 10 o 74.99308 27.49633 793.3022       460.8181 0.000000       0.000000 793.3022       460.8181 ?        ?        74.99308 27.49633 0.000000       27.49633 
1 1 1 -26 12 11 o 128.3006 8.767972 1483.830       190.9505 1493.307       209.6786 1437.775       462.2281 127.9945 9.664397 107.0116 25.63199 20.98289       27.39342 
1 1 1 -26 12 12 o 82.22829 10.98705 633.0422       150.4196 750.0547       174.3893 292.9861       297.2892 89.05661 11.75428 53.58518 21.43941 35.47143       24.45019 
1 1 1 -26 12 13 o 107.5536 8.726931 1046.340       158.9012 1194.326       190.1979 704.3397       289.1408 114.0868 9.859555 77.68959 21.20250 36.39724       23.38283 
1 1 1 -26 12 14 o 74.68056 11.56905 531.1357       142.7677 726.4886       170.0371 64.33745       262.8442 87.44710 11.67848 42.25018 18.63952 45.19691       21.99588 
1 1 1 -26 12 15 o 103.7728 7.557804 963.9982       133.0106 988.3609       154.0042 892.4648       263.8904 104.2926 8.727464 91.33468 17.55722 12.95789       19.60675 
1 1 1 -26 12 16 o 34.02581 12.84303 95.14973       101.9184 152.3442       113.3522 -146.2202      232.8598 39.82128 13.73530 33.10310 15.64467 6.718185       20.81861 
1 1 1 -26 12 17 o 28.78385 12.11297 32.31372       101.2795 15.93024       113.2056 98.01226       226.6953 28.90932 12.50073 40.97955 17.70496 -12.07023      21.67334 
1 1 1 -26 12 18 o 64.04659 10.73710 394.0561       113.2753 341.2732       130.4832 555.5202       228.2157 57.70574 13.48416 68.78143 18.86385 -11.07568      23.18766 
1 1 1 -26 12 19 o 60.20994 11.32834 355.9798       112.2013 243.1836       129.8924 687.5314       222.6959 47.73102 14.58771 78.35370 17.12213 -30.62268      22.49375 
1 1 1 -26 12 20 o 28.03958 11.54958 43.51839       89.24890 57.74369       98.90201 -18.86851      207.1196 30.02738 12.23853 34.18460 15.67100 -4.157217      19.88371 
1 1 1 -26 12 21 o 35.43455 12.39335 122.7842       92.43908 96.11457       103.9473 223.6185       202.1199 33.33987 12.87427 44.75121 17.75113 -11.41134      21.92829 
1 1 1 -26 12 22 o 38.29927 12.71633 151.5142       97.10617 117.3987       107.7646 298.8378       223.9424 35.14607 13.21901 48.47852 18.84712 -13.33245      23.02078 
1 1 1 -26 12 23 o 26.84076 12.08831 -10.54113      116.6464 2.354527       139.2802 -40.83216      213.4640 29.47753 13.24872 32.90488 15.36866 -3.427355      20.29099 
1 1 1 -26 12 24 o 32.47622 13.59575 78.39416       126.5284 80.35857       145.5523 72.31830       255.9811 33.59750 14.34502 37.75784 17.35051 -4.160336      22.51266 
1 1 1 -26 12 25 o 50.41412 15.03706 306.7259       139.2499 420.0052       188.1271 169.4527       207.0947 55.73073 17.63908 39.35531 16.96286 16.37542       24.47194 
1 1 1 -26 12 26 o 37.98625 14.49730 166.7137       130.7716 140.6483       155.9558 228.4433       240.0026 36.42825 15.15874 41.36150 18.04097 -4.933243      23.56404 
1 1 1 -26 13 1  o 117.3549 6.629181 1225.763       132.3069 1142.914       154.4892 1453.733       256.2659 112.1773 8.119663 121.8383 12.49373 -9.661018      14.90041 
1 1 1 -26 13 2  o 52.85914 11.03657 271.0880       96.40581 341.0975       105.7352 -73.94154      234.7304 59.60703 10.78473 35.06204 16.28879 24.54499       19.53548 
1 1 1 -26 13 3  o 39.43726 13.17836 151.0971       104.2435 74.76503       114.7152 512.8622       249.7357 33.14354 13.29761 65.25414 20.27465 -32.11060      24.24640 
1 1 1 -26 13 4  o 104.2538 7.315726 972.7842       129.4173 986.9877       154.5306 939.4233       236.8292 103.9758 8.785464 95.94856 14.94052 8.027275       17.33216 
1 1 1 -26 13 5  o 27.42446 11.77567 15.09028       99.08302 58.35246       109.6030 -178.3726      231.7753 31.54095 12.87273 32.10821 15.29918 -0.5672550     19.99430 
1 1 1 -26 13 6  o 36.10286 14.10052 103.5918       125.7926 118.6188       141.0322 45.11508       278.2107 38.03129 14.90902 41.63003 18.71638 -3.598743      23.92868 
1 1 1 -26 13 7  o 48.84151 14.65529 247.0201       131.9774 294.5527       152.0511 101.8088       265.7627 52.66235 15.71427 43.14132 18.89628 9.521030       24.57657 
1 1 1 -26 13 8  o 51.26274 23.34783 191.3446       450.0975 0.000000       0.000000 191.3446       450.0975 ?        ?        51.26274 23.34783 0.000000       23.34783 
1 1 1 -26 13 9  o 56.93288 13.53949 328.4517       129.7115 328.4517       129.7115 0.000000       0.000000 56.93288 13.53949 ?        ?        0.000000       13.53949 
1 1 1 -26 13 10 o 56.65438 12.58371 319.0554       118.5760 410.1655       129.8037 -140.3079      291.4619 64.70193 12.19541 36.95488 17.47665 27.74705       21.31107 
1 1 1 -26 13 11 o 99.14860 8.190216 891.6119       137.4290 961.3870       155.3939 641.1013       294.4401 102.3843 8.978570 70.99994 22.00719 31.38434       23.76828 
1 1 1 -26 13 12 o 142.0291 7.367931 1806.702       178.0863 2087.393       204.5746 928.4473       361.8662 152.1618 7.900253 83.00713 24.10365 69.15466       25.36533 
1 1 1 -26 13 13 o 69.87772 11.32096 471.6018       130.4687 552.1507       150.7876 231.6806       260.2377 75.05727 12.18208 47.96479 19.73528 27.09249       23.19234 
1 1 1 -26 13 14 o 66.59151 12.45586 440.6948       136.4358 374.4469       162.0836 601.7617       252.7296 58.71987 15.81195 70.25673 20.06770 -11.53686      25.54858 
1 1 1 -26 13 15 o 55.80508 14.42798 329.1129       138.5059 398.4619       158.5334 105.4796       284.6879 60.86654 15.27635 42.95611 19.14953 17.91042       24.49635 
1 1 1 -26 13 16 o 30.94398 11.60913 79.80381       83.01244 125.4819       89.51054 -200.9723      221.9220 36.03121 12.21079 30.17730 14.53421 5.853907       18.98280 
1 1 1 -26 13 17 o 46.10982 11.63654 214.0741       91.62922 223.6488       97.62959 143.2863       265.4595 46.88403 12.10927 42.99677 18.85791 3.887257       22.41105 
1 1 1 -26 13 18 o 39.69846 11.84059 159.6963       86.34155 89.05698       94.56695 513.5879       211.6660 32.31876 12.32967 65.04439 18.29120 -32.72562      22.05876 
1 1 1 -26 13 19 o 52.13448 11.91341 277.2435       103.7447 339.9742       119.3136 82.82581       210.0475 57.42354 12.52040 37.88525 16.69087 19.53829       20.86493 
1 1 1 -26 13 20 o 31.85291 12.67240 80.66905       103.2912 118.5457       113.0336 -111.0758      254.3219 35.46486 13.49178 33.64531 16.03006 1.819542       20.95212 
1 1 1 -26 13 21 o 65.81852 10.43835 427.1338       113.4071 403.3685       130.5474 500.2301       228.9520 61.93189 12.76820 60.58551 19.48930 1.346378       23.29935 
1 1 1 -26 13 22 o 22.20292 10.70329 -130.3222      121.0032 -118.2931      149.3383 -153.3147      206.4663 25.42881 12.16180 28.93733 13.95769 -3.508522      18.51287 
1 1 1 -26 13 23 o 38.74178 14.45754 168.6959       128.4114 87.43449       163.2046 300.7601       208.0572 34.34689 14.93060 46.47382 18.13890 -12.12693      23.49345 
1 1 1 -26 13 24 o 59.67436 13.44912 399.9421       133.7705 447.1938       174.5139 332.6245       208.2984 58.97077 16.61745 47.73002 18.27751 11.24075       24.70237 
1 1 1 -26 14 3  o 36.15558 13.04000 123.0230       103.0287 168.3338       114.0703 -77.62218      240.0414 40.71851 13.78463 34.69963 16.23632 6.018883       21.29869 
1 1 1 -26 14 4  o 21.27912 10.01748 -79.06427      93.79357 -95.31121      103.3157 -2.913405      223.6753 21.87584 10.36312 36.12215 16.45469 -14.24632      19.44610 
1 1 1 -26 14 5  o 35.39272 12.87470 114.9999       100.7451 121.2579       113.0808 90.91964       221.8205 36.45675 13.57454 39.80573 17.35376 -3.348988      22.03227 
1 1 1 -26 14 6  o 40.53061 19.71355 -252.2738      434.4531 0.000000       0.000000 -252.2738      434.4531 ?        ?        40.53061 19.71355 0.000000       19.71355 
1 1 1 -26 14 7  o 71.92887 10.87519 497.6080       129.4103 501.4594       151.4496 487.1880       249.1112 70.55202 13.05133 62.26667 20.35269 8.285343       24.17786 
1 1 1 -26 14 8  o 49.14822 12.32296 243.4203       103.2334 317.4688       117.6725 -3.985740      215.0908 56.12678 12.58766 35.80862 16.24373 20.31815       20.55014 
1 1 1 -26 14 9  o 45.45292 13.49626 213.1454       112.3628 225.7814       119.3217 114.1951       333.9062 46.55141 13.92742 44.92516 20.32217 1.626255       24.63663 
1 1 1 -26 14 10 o 40.50353 13.48362 165.0582       109.1522 151.0254       119.9863 232.4047       262.8557 39.32098 14.08436 47.41741 19.70138 -8.096428      24.21804 
1 1 1 -26 14 11 o 64.63820 10.99311 405.4778       116.9975 444.3425       130.9755 251.9954       260.2808 67.08798 11.86672 48.13547 19.76318 18.95251       23.05216 
1 1 1 -26 14 12 o 62.39465 12.65162 393.5508       130.1889 368.8560       152.2688 460.6631       251.0206 58.37171 15.14558 59.78619 20.44758 -1.414482      25.44587 
1 1 1 -26 14 13 o 82.06015 9.571368 634.1624       131.6045 794.0547       142.9122 -257.9614      337.5732 92.22631 9.196946 35.84749 17.42216 56.37882       19.70064 
1 1 1 -26 14 14 o 34.28659 13.06889 102.8865       106.1878 14.01993       115.4759 589.5914       270.2432 28.58720 12.49033 66.31689 21.15725 -37.72969      24.56904 
1 1 1 -26 14 15 o 57.31234 11.95162 331.4599       113.1829 362.7313       124.8878 187.7002       267.7719 59.46013 12.68631 44.44501 19.22216 15.01511       23.03115 
1 1 1 -26 14 16 o 49.27115 14.88211 269.1583       135.7644 278.7536       159.1657 243.5329       260.1095 49.14915 16.27848 46.28584 19.44157 2.863316       25.35673 
1 1 1 -26 14 17 o 79.71443 8.847001 597.9305       118.3988 622.3669       132.6228 501.9911       262.7835 80.47719 9.856383 59.34994 20.88746 21.12725       23.09619 
1 1 1 -26 14 18 o 25.07836 10.57841 25.89173       77.53647 129.1973       84.22688 -547.9636      198.5135 35.72246 11.84221 21.59159 10.92512 14.13087       16.11199 
1 1 1 -26 14 19 o 20.72007 9.776815 -72.06276      90.28605 -52.34889      99.16247 -167.6244      218.3249 22.76015 10.57815 29.54675 14.27657 -6.786600      17.76845 
1 1 1 -26 14 20 o 34.35702 14.13527 103.5564       133.4908 228.9871       154.6777 -262.5378      264.2543 43.56272 15.93666 30.05727 14.77678 13.50545       21.73316 
1 1 1 -26 14 21 o 36.21135 14.12026 136.2854       125.9899 182.7510       156.5987 51.01437       212.1403 39.84898 15.68231 34.91545 15.95136 4.933521       22.36919 
1 1 1 -26 15 7  o 22.49173 10.45218 -58.45087      96.76933 -33.21654      103.7941 -226.1694      267.5885 24.62063 11.21293 32.25670 15.63875 -7.636072      19.24319 
1 1 1 -26 15 8  o 43.55270 12.90023 198.4487       102.7515 245.6938       114.9806 11.11545       228.9567 48.06054 13.46928 36.20614 16.55288 11.85440       21.34056 
1 1 1 -26 15 9  o 35.71149 13.04337 122.5785       103.5527 159.6971       110.2865 -153.8420      300.9619 39.35921 13.54987 35.41015 17.02199 3.949059       21.75654 
1 1 1 -26 15 10 o 57.36576 11.39557 329.8447       107.6974 344.4824       120.2946 270.7310       241.7432 57.75653 12.55496 47.32947 19.19261 10.42706       22.93433 
1 1 1 -26 15 11 o 54.30946 12.06784 302.3964       109.0140 296.1937       118.4269 336.8279       279.0214 52.89093 13.16407 50.13708 20.50937 2.753853       24.37062 
1 1 1 -26 15 12 o 48.42905 15.25771 266.4140       140.8847 266.4140       140.8847 0.000000       0.000000 48.42905 15.25771 ?        ?        0.000000       15.25771 
1 1 1 -26 15 13 o 45.88245 13.34431 227.0099       110.8332 217.6060       121.3639 274.2524       272.0213 44.46651 14.17754 46.81749 19.78459 -2.350986      24.33994 
1 1 1 -26 15 14 o 58.73317 11.82764 353.4736       114.5238 374.8746       126.7101 257.9921       267.6413 59.66966 12.81757 45.79095 19.49920 13.87871       23.33472 
1 1 1 -26 15 15 o 51.91512 14.43061 303.5086       132.5472 358.3324       146.4107 54.45056       312.0603 55.99657 15.00674 39.60115 18.52428 16.39542       23.84012 
1 1 1 -26 15 16 o 43.40914 13.55345 207.9735       111.4488 244.9836       119.7773 -30.73663      304.1936 46.76511 13.94552 36.99731 17.60044 9.767799       22.45558 
1 1 1 -26 15 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  1  o 45.79217 18.79242 256.0445       145.1425 256.0445       145.1425 256.0445       145.1425 45.79217 18.79242 45.79217 18.79242 0.000000       0.000000 
1 1 1 -25 0  2  o 28.99822 16.13509 100.8429       118.3702 100.8429       118.3702 100.8429       118.3702 28.99822 16.13509 28.99822 16.13509 -0.000000      0.000000 
1 1 1 -25 0  3  o 13.39537 9.660619 -202.5946      111.7201 -202.5946      111.7201 -202.5946      111.7201 13.39537 9.660619 13.39537 9.660619 -0.000000      0.000000 
1 1 1 -25 0  4  o 224.4232 8.566416 4345.355       327.2125 4345.355       327.2125 4345.355       327.2125 224.4232 8.566416 224.4232 8.566416 0.000000       0.000000 
1 1 1 -25 0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  23 o 120.0797 16.38227 1347.503       318.2243 1347.503       318.2243 1347.503       318.2243 120.0797 16.38227 120.0797 16.38227 0.000000       0.000000 
1 1 1 -25 0  24 o 43.58150 25.38718 248.1814       312.3062 248.1814       312.3062 248.1814       312.3062 43.58150 25.38718 43.58150 25.38718 -0.000000      0.000000 
1 1 1 -25 0  25 o 82.51360 24.77660 780.8257       304.2370 780.8257       304.2370 780.8257       304.2370 82.51360 24.77660 82.51360 24.77660 -0.000000      0.000000 
1 1 1 -25 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  28 o 24.83224 17.44471 -234.1201      284.7787 -234.1201      284.7787 -234.1201      284.7787 24.83224 17.44471 24.83224 17.44471 -0.000000      0.000000 
1 1 1 -25 0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  30 o 84.90266 20.99240 810.3450       263.4631 810.3450       263.4631 810.3450       263.4631 84.90266 20.99240 84.90266 20.99240 0.000000       0.000000 
1 1 1 -25 0  31 o 30.93051 18.90157 124.9535       189.7035 124.9535       189.7035 124.9535       189.7035 30.93051 18.90157 30.93051 18.90157 -0.000000      0.000000 
1 1 1 -25 0  32 o 28.76890 17.89868 103.0964       177.4956 103.0964       177.4956 103.0964       177.4956 28.76890 17.89868 28.76890 17.89868 0.000000       0.000000 
1 1 1 -25 0  33 o 28.78936 18.15536 106.4407       189.2781 106.4407       189.2781 106.4407       189.2781 28.78936 18.15536 28.78936 18.15536 -0.000000      0.000000 
1 1 1 -25 0  34 o 36.82141 20.24685 241.4680       183.9093 241.4680       183.9093 241.4680       183.9093 36.82141 20.24685 36.82141 20.24685 -0.000000      0.000000 
1 1 1 -25 0  35 o 33.92377 20.32835 224.2837       210.6113 224.2837       210.6113 224.2837       210.6113 33.92377 20.32835 33.92377 20.32835 0.000000       0.000000 
1 1 1 -25 1  1  o 145.1409 5.616600 1808.991       139.2084 2081.779       194.5433 1522.750       199.2829 155.3884 7.331548 132.3168 8.871038 23.07161       11.50856 
1 1 1 -25 1  2  o 175.4875 5.778140 2644.616       173.1554 2477.330       235.1748 2842.675       255.8925 169.3711 8.131104 181.3978 8.260831 -12.02672      11.59121 
1 1 1 -25 1  3  o 140.3565 5.773301 1691.662       138.3753 1596.838       191.7181 1794.778       199.9241 135.7072 8.312977 143.9384 8.167316 -8.231125      11.65378 
1 1 1 -25 1  4  o 139.3774 5.863457 1668.244       139.5558 1470.917       191.5569 1891.444       203.7284 130.1555 8.668114 147.8086 8.102295 -17.65317      11.86522 
1 1 1 -25 1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  22 o 88.32075 20.92702 776.3287       310.7879 0.000000       0.000000 776.3287       310.7879 ?        ?        88.32075 20.92702 0.000000       20.92702 
1 1 1 -25 1  23 o 40.26475 18.87230 -235.5520      326.6746 0.000000       0.000000 -235.5520      326.6746 ?        ?        40.26475 18.87230 0.000000       18.87230 
1 1 1 -25 1  24 o 106.3519 14.67325 1061.280       259.3884 1256.052       422.8765 943.7932       328.4313 108.8471 23.44331 96.16005 20.61965 12.68702       31.22113 
1 1 1 -25 1  25 o 111.2821 12.90096 1150.386       240.6122 974.5986       326.9691 1358.020       355.3545 96.71564 20.43733 116.4305 18.49098 -19.71490      27.56085 
1 1 1 -25 1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 1  27 o 62.69239 19.27349 425.6179       226.3597 581.8616       308.0630 242.2698       333.7155 70.53957 22.59821 53.16876 22.15376 17.37080       31.64598 
1 1 1 -25 1  28 o 56.21153 17.37572 337.4876       183.6920 160.8258       305.4694 437.5575       229.9050 47.99424 20.64401 62.41128 19.46316 -14.41704      28.37234 
1 1 1 -25 1  29 o 38.13751 15.73615 98.26445       166.0341 336.2843       268.3725 -49.33105      211.3333 54.15336 20.74424 34.53711 15.83150 19.61625       26.09520 
1 1 1 -25 1  30 o 35.75712 16.63792 -66.26182      246.4532 -66.26182      246.4532 0.000000       0.000000 35.75712 16.63792 ?        ?        0.000000       16.63792 
1 1 1 -25 1  31 o 28.87854 13.43381 -67.03107      160.5039 -147.5734      229.4132 10.19169       224.6358 31.66161 15.12352 36.07924 16.45636 -4.417631      22.35023 
1 1 1 -25 1  32 o 55.90034 15.10421 358.3942       147.6003 461.0422       187.1062 189.2728       240.1664 61.17839 17.19495 42.30291 18.25014 18.87548       25.07457 
1 1 1 -25 1  33 o 71.88390 11.76974 537.0995       139.4760 311.7268       194.1920 777.2431       200.4547 47.87554 17.79619 82.80322 14.71560 -34.92767      23.09228 
1 1 1 -25 1  34 o 34.08362 13.88884 114.2979       127.3393 27.21329       181.0932 199.4696       179.0933 31.98432 14.65903 40.05616 16.41374 -8.071842      22.00677 
1 1 1 -25 1  35 o 56.35977 15.46631 412.6321       153.3583 409.8523       218.9880 415.3074       214.8345 49.08301 18.75367 49.74120 18.67298 -0.6581879     26.46470 
1 1 1 -25 2  1  o 205.7727 5.866214 3638.817       206.1330 3765.452       291.7384 3512.567       291.2944 208.6853 8.186527 201.4683 8.466883 7.217041       11.77741 
1 1 1 -25 2  2  o 131.0766 5.793030 1475.645       129.6680 1558.868       177.1501 1379.596       190.3130 134.1916 7.763788 125.9342 8.907044 8.257454       11.81575 
1 1 1 -25 2  3  o 140.0521 6.357757 1686.485       152.0532 1672.328       203.7236 1704.291       228.4689 138.7982 8.638014 139.8481 9.625457 -1.049881      12.93309 
1 1 1 -25 2  4  f 254.5307 6.454474 5571.172       280.5453 5215.111       374.8355 6024.665       423.0225 245.4628 8.942381 263.6420 9.396084 -18.17924      12.97122 
1 1 1 -25 2  5  o 138.3556 6.361651 1645.589       150.3033 1620.794       190.4765 1686.505       244.6834 136.7677 8.193336 138.9156 10.38981 -2.147858      13.23174 
1 1 1 -25 2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  21 f 43.21225 19.42909 -80.77212      299.8637 0.000000       0.000000 -80.77212      299.8637 ?        ?        43.21225 19.42909 0.000000       19.42909 
1 1 1 -25 2  22 o 102.6252 21.03653 1045.808       356.2807 0.000000       0.000000 1045.808       356.2807 ?        ?        102.6252 21.03653 0.000000       21.03653 
1 1 1 -25 2  23 o 209.5285 12.73909 3971.974       453.6465 0.000000       0.000000 3971.974       453.6465 ?        ?        209.5285 12.73909 0.000000       12.73909 
1 1 1 -25 2  24 o 151.4190 12.73908 2098.531       326.3369 0.000000       0.000000 2098.531       326.3369 ?        ?        151.4190 12.73908 0.000000       12.73908 
1 1 1 -25 2  25 o 37.95975 16.73788 -3.233715      211.6741 -320.9301      328.4398 222.4742       276.8364 37.43444 17.93855 52.05696 20.73492 -14.62252      27.41767 
1 1 1 -25 2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 2  27 o 43.28020 17.62494 134.4009       204.8948 508.9999       284.9576 -266.5883      294.8242 66.49454 21.76945 35.45910 16.99297 31.03544       27.61648 
1 1 1 -25 2  28 f 85.91016 13.18938 718.6993       187.3118 760.9302       316.2114 695.8701       232.4915 79.27887 22.37855 81.02417 17.32766 -1.745300      28.30278 
1 1 1 -25 2  29 o 31.25504 14.12341 -27.92427      160.7797 262.2087       273.8838 -180.4798      198.6012 50.18960 20.40100 29.37693 14.04308 20.81266       24.76709 
1 1 1 -25 2  30 o 36.85955 15.18854 97.96107       154.4241 152.6745       205.0502 26.26740       234.7219 42.15844 17.44893 37.99801 17.12725 4.160431       24.45011 
1 1 1 -25 2  31 o 38.97937 15.88576 137.3652       166.6148 111.5870       235.1425 163.3578       236.1184 40.16586 17.67911 42.37189 18.18561 -2.206036      25.36271 
1 1 1 -25 2  32 o 41.56914 17.75485 183.4480       223.1129 183.4480       223.1129 0.000000       0.000000 41.56914 17.75485 ?        ?        0.000000       17.75485 
1 1 1 -25 2  33 o 36.36648 15.08429 129.0105       153.7170 81.23649       209.3682 184.8772       226.4077 35.92137 16.18495 40.55167 17.60663 -4.630299      23.91539 
1 1 1 -25 2  34 o 24.60872 11.55958 -57.25295      123.7099 73.74417       178.6686 -177.8905      171.4583 33.60530 15.06180 25.02842 12.21987 8.576880       19.39543 
1 1 1 -25 2  35 o 41.09418 14.81007 220.5633       132.8620 159.2847       177.6538 298.3363       200.1403 36.42120 15.70453 43.48184 17.52232 -7.060635      23.53007 
1 1 1 -25 3  1  o 58.17507 9.923860 302.3948       95.04984 397.4559       130.2561 194.1235       139.0123 66.35661 11.93385 47.03483 15.19212 19.32177       19.31883 
1 1 1 -25 3  2  o 93.13528 7.673712 753.5771       120.9591 865.4765       175.6577 652.6675       166.8091 99.14536 10.53659 85.62051 11.71620 13.52485       15.75719 
1 1 1 -25 3  3  o 191.9100 5.892601 3163.940       193.1108 2852.987       253.6682 3592.536       297.8124 181.7233 8.174354 203.8066 8.557020 -22.08328      11.83396 
1 1 1 -25 3  4  o 30.89833 12.34608 44.02348       98.44223 99.93269       108.1991 -224.7089      237.2148 36.76251 13.34714 34.12724 16.02316 2.635269       20.85396 
1 1 1 -25 3  5  f 198.3353 8.416141 3400.175       285.0460 3400.175       285.0460 0.000000       0.000000 198.3353 8.416141 ?        ?        0.000000       8.416141 
1 1 1 -25 3  6  o 83.66599 10.02481 616.2201       140.3756 616.2201       140.3756 0.000000       0.000000 83.66599 10.02481 ?        ?        0.000000       10.02481 
1 1 1 -25 3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  20 f 141.4157 14.55000 1816.616       346.3544 0.000000       0.000000 1816.616       346.3544 ?        ?        141.4157 14.55000 0.000000       14.55000 
1 1 1 -25 3  21 o 35.55922 17.12397 -396.3985      307.8074 0.000000       0.000000 -396.3985      307.8074 ?        ?        35.55922 17.12397 0.000000       17.12397 
1 1 1 -25 3  22 o 60.01578 23.74678 285.9899       360.8812 0.000000       0.000000 285.9899       360.8812 ?        ?        60.01578 23.74678 0.000000       23.74678 
1 1 1 -25 3  23 o 40.03304 18.25159 -100.7013      275.9301 0.000000       0.000000 -100.7013      275.9301 ?        ?        40.03304 18.25159 0.000000       18.25159 
1 1 1 -25 3  24 o 109.2212 17.01737 1162.937       307.0558 0.000000       0.000000 1162.937       307.0558 ?        ?        109.2212 17.01737 0.000000       17.01737 
1 1 1 -25 3  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 3  27 o 37.66021 16.35507 37.34330       195.4553 -168.6729      274.9105 247.9335       277.9455 36.27972 17.10079 51.51373 20.68785 -15.23402      26.84071 
1 1 1 -25 3  28 o 53.43843 17.12021 306.0405       176.8101 197.4780       306.2785 360.3034       216.5350 48.90661 20.84339 56.73388 18.99315 -7.827271      28.19906 
1 1 1 -25 3  29 o 29.51624 13.39994 -36.21685      146.7424 -83.50066      227.7701 -2.664387      191.8680 34.34213 15.98463 34.66152 15.56657 -0.3193855     22.31203 
1 1 1 -25 3  30 o 32.93411 14.69097 9.545504       167.8354 25.53953       252.9369 -3.036251      224.3385 38.65431 17.56549 36.14876 16.47155 2.505554       24.08025 
1 1 1 -25 3  31 o 37.10188 14.95860 122.8965       145.9359 65.25111       211.3714 175.4056       201.7347 37.05572 16.51120 41.81618 17.30728 -4.760460      23.91990 
1 1 1 -25 3  32 o 35.15566 14.64595 105.1015       145.8207 -13.43375      223.0228 193.6159       192.7226 33.85840 15.77873 41.41496 17.00519 -7.556557      23.19795 
1 1 1 -25 3  33 o 42.46834 17.71763 230.9498       213.8324 230.9498       213.8324 0.000000       0.000000 42.46834 17.71763 ?        ?        0.000000       17.71763 
1 1 1 -25 3  34 o 22.52245 10.80668 -101.9542      120.0549 89.79644       169.4842 -295.0643      170.0840 33.74673 14.92372 22.35955 11.14186 11.38717       18.62413 
1 1 1 -25 3  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  1  o 79.28520 7.683790 548.4585       102.7270 478.2264       135.0966 644.7330       158.1731 73.08929 11.17940 85.09554 11.15343 -12.00625      15.79170 
1 1 1 -25 4  2  o 99.48390 7.335036 858.6249       123.7322 784.9099       152.7776 999.1434       210.9350 94.55257 9.594939 106.0934 11.84501 -11.54082      15.24359 
1 1 1 -25 4  3  f 33.48870 12.89590 67.83854       104.0710 65.51267       122.6994 73.80176       196.4673 35.14515 13.86547 42.21768 17.23298 -7.072536      22.11847 
1 1 1 -25 4  4  f 174.6891 7.749070 2633.922       231.1625 2633.922       231.1625 0.000000       0.000000 174.6891 7.749070 ?        ?        0.000000       7.749070 
1 1 1 -25 4  5  o 108.8927 9.269904 1035.227       170.7352 1035.227       170.7352 0.000000       0.000000 108.8927 9.269904 ?        ?        0.000000       9.269904 
1 1 1 -25 4  6  o 119.3902 8.194505 1237.377       166.0567 1237.377       166.0567 0.000000       0.000000 119.3902 8.194505 ?        ?        0.000000       8.194505 
1 1 1 -25 4  7  o 128.3536 8.137080 1428.857       177.4297 1428.857       177.4297 0.000000       0.000000 128.3536 8.137080 ?        ?        0.000000       8.137080 
1 1 1 -25 4  8  o 203.8922 8.202884 3592.446       285.6071 3592.446       285.6071 0.000000       0.000000 203.8922 8.202884 ?        ?        0.000000       8.202884 
1 1 1 -25 4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  19 o 243.1311 13.21430 5283.841       546.5783 0.000000       0.000000 5283.841       546.5783 ?        ?        243.1311 13.21430 0.000000       13.21430 
1 1 1 -25 4  20 o 129.3388 15.97327 1546.502       345.3015 0.000000       0.000000 1546.502       345.3015 ?        ?        129.3388 15.97327 0.000000       15.97327 
1 1 1 -25 4  21 f 195.7947 11.74366 3423.661       390.8367 0.000000       0.000000 3423.661       390.8367 ?        ?        195.7947 11.74366 0.000000       11.74366 
1 1 1 -25 4  22 f 59.59962 21.65142 329.6743       284.7829 0.000000       0.000000 329.6743       284.7829 ?        ?        59.59962 21.65142 0.000000       21.65142 
1 1 1 -25 4  23 o 184.8421 11.92598 3096.165       374.4326 0.000000       0.000000 3096.165       374.4326 ?        ?        184.8421 11.92598 0.000000       11.92598 
1 1 1 -25 4  24 o 37.72367 17.45318 -128.7443      265.3888 0.000000       0.000000 -128.7443      265.3888 ?        ?        37.72367 17.45318 0.000000       17.45318 
1 1 1 -25 4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  26 o 37.82400 17.21934 -52.87327      244.4700 0.000000       0.000000 -52.87327      244.4700 ?        ?        37.82400 17.21934 0.000000       17.21934 
1 1 1 -25 4  27 o 84.21569 13.05494 686.6421       181.6687 518.9278       287.8818 797.6284       234.1876 65.98893 21.89430 88.30302 16.12471 -22.31409      27.19130 
1 1 1 -25 4  28 o 48.16067 16.96180 241.7702       173.3193 255.7141       309.4305 235.3955       209.2194 50.90688 21.28210 48.09312 18.34128 2.813755       28.09502 
1 1 1 -25 4  29 o 53.62648 17.59501 325.4415       186.1128 -37.91381      289.2148 582.2588       243.1458 39.07183 18.12722 69.78819 19.59687 -30.71637      26.69519 
1 1 1 -25 4  30 o 71.76288 13.24167 528.7840       156.2941 423.8070       225.9878 625.0342       216.3908 57.85177 19.40311 73.60025 17.47735 -15.74848      26.11396 
1 1 1 -25 4  31 o 101.4370 10.85882 1013.360       185.1746 788.5435       263.2801 1233.445       260.4949 77.77059 19.77884 106.4840 14.71917 -28.71340      24.65475 
1 1 1 -25 4  32 o 77.40371 14.36230 667.8226       182.8504 933.7024       274.9814 457.0738       244.8179 83.37812 19.63701 54.93710 20.05689 28.44102       28.06940 
1 1 1 -25 4  33 o 65.61840 14.14688 491.1461       153.8552 554.9927       257.7585 455.8080       191.7633 58.23967 20.66629 57.89980 17.72953 0.3398705      27.22925 
1 1 1 -25 4  34 o 52.23680 18.70008 437.9542       211.4883 437.9542       211.4883 0.000000       0.000000 52.23680 18.70008 ?        ?        0.000000       18.70008 
1 1 1 -25 5  1  f 69.95245 9.778352 435.1280       113.6144 381.5845       139.7265 539.6066       195.1815 64.45309 13.14060 76.09107 15.54638 -11.63798      20.35596 
1 1 1 -25 5  2  o 87.97587 7.871487 675.0349       117.0061 696.4067       140.1332 625.8347       212.6205 88.98893 9.361937 82.20688 15.71879 6.782051       18.29552 
1 1 1 -25 5  3  o 48.32677 13.91187 212.5600       121.0165 212.5600       121.0165 0.000000       0.000000 48.32677 13.91187 ?        ?        0.000000       13.91187 
1 1 1 -25 5  4  o 65.74625 12.28038 391.2252       132.8045 391.2252       132.8045 0.000000       0.000000 65.74625 12.28038 ?        ?        0.000000       12.28038 
1 1 1 -25 5  5  f 170.5598 7.630897 2511.169       222.2564 2511.169       222.2564 0.000000       0.000000 170.5598 7.630897 ?        ?        0.000000       7.630897 
1 1 1 -25 5  6  o 82.73248 10.86640 606.8314       149.8062 606.8314       149.8062 0.000000       0.000000 82.73248 10.86640 ?        ?        0.000000       10.86640 
1 1 1 -25 5  7  o 141.8729 8.421966 1747.477       203.1256 1747.477       203.1256 0.000000       0.000000 141.8729 8.421966 ?        ?        0.000000       8.421966 
1 1 1 -25 5  8  o 196.6319 8.056235 3342.092       270.5130 3342.092       270.5130 0.000000       0.000000 196.6319 8.056235 ?        ?        0.000000       8.056235 
1 1 1 -25 5  9  o 99.60429 8.935099 866.5830       150.3614 866.5830       150.3614 0.000000       0.000000 99.60429 8.935099 ?        ?        0.000000       8.935099 
1 1 1 -25 5  10 o 69.31609 11.56083 431.2071       132.0238 431.2071       132.0238 0.000000       0.000000 69.31609 11.56083 ?        ?        0.000000       11.56083 
1 1 1 -25 5  11 o 102.7191 9.105446 922.3834       158.0626 922.3834       158.0626 0.000000       0.000000 102.7191 9.105446 ?        ?        0.000000       9.105446 
1 1 1 -25 5  12 f 33.42643 13.63256 42.49003       122.8141 42.49003       122.8141 0.000000       0.000000 33.42643 13.63256 ?        ?        0.000000       13.63256 
1 1 1 -25 5  13 f 208.7085 8.829148 3779.217       314.6740 3779.217       314.6740 0.000000       0.000000 208.7085 8.829148 ?        ?        0.000000       8.829148 
1 1 1 -25 5  14 o 162.6562 9.839462 2313.680       272.0165 2313.680       272.0165 0.000000       0.000000 162.6562 9.839462 ?        ?        0.000000       9.839462 
1 1 1 -25 5  15 o 95.14446 15.27574 830.0185       239.7941 830.0185       239.7941 0.000000       0.000000 95.14446 15.27574 ?        ?        0.000000       15.27574 
1 1 1 -25 5  16 o 291.6328 10.97882 7463.883       546.7563 7463.883       546.7563 0.000000       0.000000 291.6328 10.97882 ?        ?        0.000000       10.97882 
1 1 1 -25 5  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 5  18 o 255.7778 11.66876 5778.749       509.6704 0.000000       0.000000 5778.749       509.6704 ?        ?        255.7778 11.66876 0.000000       11.66876 
1 1 1 -25 5  19 o 40.62564 18.79957 -186.7907      308.1413 0.000000       0.000000 -186.7907      308.1413 ?        ?        40.62564 18.79957 0.000000       18.79957 
1 1 1 -25 5  20 f 68.58250 22.43558 467.0266       302.6851 0.000000       0.000000 467.0266       302.6851 ?        ?        68.58250 22.43558 0.000000       22.43558 
1 1 1 -25 5  21 o 145.2694 13.89735 1935.182       340.5461 0.000000       0.000000 1935.182       340.5461 ?        ?        145.2694 13.89735 0.000000       13.89735 
1 1 1 -25 5  22 o 101.0853 18.71204 1012.023       311.1102 0.000000       0.000000 1012.023       311.1102 ?        ?        101.0853 18.71204 0.000000       18.71204 
1 1 1 -25 5  23 o 108.1536 19.79370 1195.677       352.0976 0.000000       0.000000 1195.677       352.0976 ?        ?        108.1536 19.79370 0.000000       19.79370 
1 1 1 -25 5  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 5  26 o 124.9430 14.86269 1535.697       310.8891 0.000000       0.000000 1535.697       310.8891 ?        ?        124.9430 14.86269 0.000000       14.86269 
1 1 1 -25 5  27 o 89.83640 12.14166 773.5506       181.4933 580.5424       298.6439 886.5789       228.5385 68.51890 22.27901 93.99529 14.72134 -25.47639      26.70341 
1 1 1 -25 5  28 o 35.77831 15.03691 71.61892       155.7490 -173.5921      252.3682 222.4678       197.9409 33.59231 15.99476 46.67960 17.83105 -13.08729      23.95368 
1 1 1 -25 5  29 o 81.21740 14.87824 692.4156       198.7448 724.9620       299.3997 666.7764       265.7369 73.97456 22.04564 73.02295 20.48064 0.9516068      30.09098 
1 1 1 -25 5  30 o 22.96600 11.30545 -253.2970      156.3882 -383.5179      261.5746 -180.8549      195.0972 28.83050 14.27190 28.14972 13.57529 0.6807766      19.69710 
1 1 1 -25 5  31 o 82.30917 11.86765 692.6383       161.9869 272.2347       256.5940 971.2009       208.8694 45.77318 19.27233 95.98622 13.08362 -50.21304      23.29386 
1 1 1 -25 5  32 o 60.06920 14.00927 406.8947       141.0645 525.3709       210.2211 309.8499       190.2597 62.14434 18.46218 47.89556 17.65166 14.24878       25.54277 
1 1 1 -25 5  33 o 68.19360 13.38653 522.3649       150.3230 781.6316       259.3175 391.1476       184.4819 71.69800 20.27501 52.68456 17.52896 19.01344       26.80188 
1 1 1 -25 5  34 o 47.79063 16.28477 321.3235       159.2110 275.0412       255.1898 350.8196       203.7222 41.25114 18.27387 46.62094 18.01758 -5.369804      25.66257 
1 1 1 -25 6  1  o 154.1313 6.539655 2052.658       172.1265 2145.365       212.9760 1878.057       292.2784 156.9323 7.973444 145.0329 11.90632 11.89943       14.32956 
1 1 1 -25 6  2  o 83.28053 12.21395 626.1089       168.5389 626.1089       168.5389 0.000000       0.000000 83.28053 12.21395 ?        ?        0.000000       12.21395 
1 1 1 -25 6  3  f 108.8237 8.763545 1035.789       161.4762 1035.789       161.4762 0.000000       0.000000 108.8237 8.763545 ?        ?        0.000000       8.763545 
1 1 1 -25 6  4  o 70.25610 11.16716 442.8242       129.4932 442.8242       129.4932 0.000000       0.000000 70.25610 11.16716 ?        ?        0.000000       11.16716 
1 1 1 -25 6  5  o 139.1115 8.080638 1680.636       191.1328 1680.636       191.1328 0.000000       0.000000 139.1115 8.080638 ?        ?        0.000000       8.080638 
1 1 1 -25 6  6  o 154.7453 7.505742 2068.116       198.3412 2068.116       198.3412 0.000000       0.000000 154.7453 7.505742 ?        ?        0.000000       7.505742 
1 1 1 -25 6  7  o 81.24651 8.991462 579.3399       122.6576 579.3399       122.6576 0.000000       0.000000 81.24651 8.991462 ?        ?        0.000000       8.991462 
1 1 1 -25 6  8  o 88.32405 9.069786 683.7267       134.8552 683.7267       134.8552 0.000000       0.000000 88.32405 9.069786 ?        ?        0.000000       9.069786 
1 1 1 -25 6  9  o 137.1526 7.876838 1631.336       183.7096 1631.336       183.7096 0.000000       0.000000 137.1526 7.876838 ?        ?        0.000000       7.876838 
1 1 1 -25 6  10 o 145.5486 7.910498 1837.126       195.8753 1837.126       195.8753 0.000000       0.000000 145.5486 7.910498 ?        ?        0.000000       7.910498 
1 1 1 -25 6  11 o 43.19141 13.87407 162.9913       116.0587 162.9913       116.0587 0.000000       0.000000 43.19141 13.87407 ?        ?        0.000000       13.87407 
1 1 1 -25 6  12 o 41.10376 15.21767 123.3654       141.7132 123.3654       141.7132 0.000000       0.000000 41.10376 15.21767 ?        ?        0.000000       15.21767 
1 1 1 -25 6  13 o 145.6409 8.150481 1842.865       201.8934 1842.865       201.8934 0.000000       0.000000 145.6409 8.150481 ?        ?        0.000000       8.150481 
1 1 1 -25 6  14 o 90.03672 10.06056 716.0605       152.0389 716.0605       152.0389 0.000000       0.000000 90.03672 10.06056 ?        ?        0.000000       10.06056 
1 1 1 -25 6  15 o 274.2130 10.28142 6578.443       481.4411 6578.443       481.4411 0.000000       0.000000 274.2130 10.28142 ?        ?        0.000000       10.28142 
1 1 1 -25 6  16 o 74.61105 20.16469 540.7609       263.0341 540.7609       263.0341 0.000000       0.000000 74.61105 20.16469 ?        ?        0.000000       20.16469 
1 1 1 -25 6  17 o 86.13892 15.43796 689.7275       218.7451 815.7760       286.7906 514.3948       338.2421 92.19523 18.85207 72.30251 23.71989 19.89272       30.29907 
1 1 1 -25 6  18 o 44.56759 17.25185 135.4119       187.0090 234.7173       235.0760 -35.76704      308.6364 53.21858 19.61967 45.19190 20.05433 8.026680       28.05544 
1 1 1 -25 6  19 o 153.7699 8.618363 2071.872       225.3952 2191.530       299.3064 1915.121       342.5701 156.7716 11.25503 144.8150 14.02857 11.95662       17.98545 
1 1 1 -25 6  20 o 223.3167 11.25200 4456.552       427.7162 0.000000       0.000000 4456.552       427.7162 ?        ?        223.3167 11.25200 0.000000       11.25200 
1 1 1 -25 6  21 o 131.8066 17.47590 1680.382       383.6506 0.000000       0.000000 1680.382       383.6506 ?        ?        131.8066 17.47590 0.000000       17.47590 
1 1 1 -25 6  22 f 37.46795 17.39683 -146.2996      267.1543 0.000000       0.000000 -146.2996      267.1543 ?        ?        37.46795 17.39683 0.000000       17.39683 
1 1 1 -25 6  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 6  25 o 83.63442 20.59211 778.0070       292.1350 0.000000       0.000000 778.0070       292.1350 ?        ?        83.63442 20.59211 0.000000       20.59211 
1 1 1 -25 6  26 o 43.46217 17.87001 142.9154       213.1824 0.000000       0.000000 142.9154       213.1824 ?        ?        43.46217 17.87001 0.000000       17.87001 
1 1 1 -25 6  27 o 78.92158 16.74053 665.5673       218.6227 0.000000       0.000000 665.5673       218.6227 ?        ?        78.92158 16.74053 0.000000       16.74053 
1 1 1 -25 6  28 o 44.33727 16.33702 201.8646       162.9637 401.3033       261.7281 75.58971       208.2591 56.66842 20.73055 38.74134 16.85348 17.92708       26.71696 
1 1 1 -25 6  29 o 48.33649 17.08344 269.3514       175.9624 477.0270       241.3618 33.74965       257.0780 60.43605 20.04720 38.57486 17.59852 21.86119       26.67579 
1 1 1 -25 6  30 o 34.04779 14.86906 60.86466       163.4736 279.6648       222.1221 -197.6907      241.4597 47.01539 18.62156 30.63458 14.85306 16.38082       23.81966 
1 1 1 -25 6  31 o 27.09486 12.72924 -68.43762      150.1033 -21.15263      199.5403 -130.0725      227.8148 32.16239 14.96714 30.74310 14.78632 1.419283       21.03926 
1 1 1 -25 6  32 o 114.1582 9.315084 1268.262       180.0087 1614.907       261.6317 956.6672       248.0522 122.8354 12.65394 87.41644 17.22942 35.41901       21.37698 
1 1 1 -25 6  33 o 22.39639 11.06779 -224.5155      154.8988 -446.0112      262.7662 -106.5533      191.7602 26.05619 13.10697 27.90922 13.45915 -1.853025      18.78674 
1 1 1 -25 7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 7  2  o 27.84301 12.29932 -26.41261      114.8053 -26.41261      114.8053 0.000000       0.000000 27.84301 12.29932 ?        ?        0.000000       12.29932 
1 1 1 -25 7  3  o 139.4538 8.177014 1697.001       193.8760 1697.001       193.8760 0.000000       0.000000 139.4538 8.177014 ?        ?        0.000000       8.177014 
1 1 1 -25 7  4  o 96.14779 9.483119 815.0790       153.6734 815.0790       153.6734 0.000000       0.000000 96.14779 9.483119 ?        ?        0.000000       9.483119 
1 1 1 -25 7  5  o 106.8687 8.477275 998.3547       153.4368 998.3547       153.4368 0.000000       0.000000 106.8687 8.477275 ?        ?        0.000000       8.477275 
1 1 1 -25 7  6  f 113.3126 8.395444 1120.388       161.2957 1120.388       161.2957 0.000000       0.000000 113.3126 8.395444 ?        ?        0.000000       8.395444 
1 1 1 -25 7  7  o 110.8945 7.654157 1069.095       144.0596 1069.095       144.0596 0.000000       0.000000 110.8945 7.654157 ?        ?        0.000000       7.654157 
1 1 1 -25 7  8  o 73.67818 9.306897 479.6118       114.4850 479.6118       114.4850 0.000000       0.000000 73.67818 9.306897 ?        ?        0.000000       9.306897 
1 1 1 -25 7  9  o 246.9077 8.786904 5296.000       370.4865 5296.000       370.4865 0.000000       0.000000 246.9077 8.786904 ?        ?        0.000000       8.786904 
1 1 1 -25 7  10 o 84.46224 10.61502 633.5738       149.7216 633.5738       149.7216 0.000000       0.000000 84.46224 10.61502 ?        ?        0.000000       10.61502 
1 1 1 -25 7  11 o 257.8603 9.044720 5783.567       398.2737 5783.567       398.2737 0.000000       0.000000 257.8603 9.044720 ?        ?        0.000000       9.044720 
1 1 1 -25 7  12 o 31.13723 12.68983 37.32573       106.3193 37.32573       106.3193 0.000000       0.000000 31.13723 12.68983 ?        ?        0.000000       12.68983 
1 1 1 -25 7  13 o 93.83598 10.18853 778.9916       160.6378 778.9916       160.6378 0.000000       0.000000 93.83598 10.18853 ?        ?        0.000000       10.18853 
1 1 1 -25 7  14 o 192.1428 8.956012 3216.298       293.8602 3216.298       293.8602 0.000000       0.000000 192.1428 8.956012 ?        ?        0.000000       8.956012 
1 1 1 -25 7  15 o 90.28303 11.81336 732.5564       177.7614 735.5156       195.4924 718.4272       427.1675 89.96626 13.11005 83.18655 26.60637 6.779709       29.66096 
1 1 1 -25 7  16 o 183.7751 7.333133 2927.811       230.1326 2545.869       284.2795 3654.032       391.9955 170.0920 9.829121 202.8951 11.35942 -32.80316      15.02158 
1 1 1 -25 7  17 o 109.5630 10.97853 1071.890       202.6409 1012.515       259.2200 1165.191       324.9466 104.5647 14.94207 110.5993 17.80980 -6.034637      23.24767 
1 1 1 -25 7  18 o 37.60042 17.64605 -224.5423      287.1605 0.000000       0.000000 -224.5423      287.1605 ?        ?        37.60042 17.64605 0.000000       17.64605 
1 1 1 -25 7  19 f 90.63477 14.06710 766.0184       210.6638 898.5421       282.0095 598.6990       316.8768 96.01209 17.85754 75.50731 22.72032 20.50478       28.89818 
1 1 1 -25 7  20 o 120.9819 10.41699 1314.079       213.1127 1295.997       260.6097 1350.577       370.2582 118.4986 13.09777 116.2198 19.33553 2.278854       23.35411 
1 1 1 -25 7  21 o 125.7740 11.22818 1438.503       238.6226 1173.706       316.5933 1786.795       363.0919 108.8735 17.63143 136.3248 15.89541 -27.45129      23.73882 
1 1 1 -25 7  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 7  23 o ?        ?        -1223.024      254.2802 0.000000       0.000000 -1223.024      254.2802 ?        ?        ?        ?        0.000000       ?        
1 1 1 -25 7  24 o 136.6325 12.02173 1747.165       277.6380 0.000000       0.000000 1747.165       277.6380 ?        ?        136.6325 12.02173 0.000000       12.02173 
1 1 1 -25 7  25 o 54.71393 19.04097 325.4957       218.0705 0.000000       0.000000 325.4957       218.0705 ?        ?        54.71393 19.04097 0.000000       19.04097 
1 1 1 -25 7  26 o 108.0289 12.98987 1138.821       234.8290 0.000000       0.000000 1138.821       234.8290 ?        ?        108.0289 12.98987 0.000000       12.98987 
1 1 1 -25 7  27 o 47.46333 18.29896 237.4648       209.7402 0.000000       0.000000 237.4648       209.7402 ?        ?        47.46333 18.29896 0.000000       18.29896 
1 1 1 -25 7  28 o 53.04595 17.38553 328.9337       181.7261 135.5882       336.8961 408.2769       215.8161 44.76680 20.31583 57.48620 18.95127 -12.71939      27.78279 
1 1 1 -25 7  29 o 36.79074 15.49519 106.3147       165.9550 -510.0107      296.8865 386.4154       200.1439 28.94544 14.46949 55.15563 18.25344 -26.21019      23.29279 
1 1 1 -25 7  30 o 56.16628 16.19396 381.9966       163.8604 445.7965       280.4290 348.9200       201.9171 53.20276 20.97050 50.98096 18.26975 2.221802       27.81269 
1 1 1 -25 7  31 o 49.56949 15.96569 306.3904       153.6115 169.4388       257.8301 381.7538       191.2628 40.43266 18.10958 52.93937 17.84978 -12.50671      25.42777 
1 1 1 -25 7  32 o 66.05946 12.81516 482.5428       139.3485 331.1110       239.1262 560.4094       171.4724 45.63221 18.86134 68.24138 15.11299 -22.60917      24.16925 
1 1 1 -25 7  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 8  1  o 127.8526 7.928357 1431.928       172.2454 1658.347       200.6554 797.8466       335.7889 137.3243 8.599976 87.61357 22.36686 49.71074       23.96322 
1 1 1 -25 8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 8  4  o 70.33250 13.57025 459.4794       157.0793 459.4794       157.0793 0.000000       0.000000 70.33250 13.57025 ?        ?        0.000000       13.57025 
1 1 1 -25 8  5  o 176.6346 8.041682 2715.677       242.5630 2715.677       242.5630 0.000000       0.000000 176.6346 8.041682 ?        ?        0.000000       8.041682 
1 1 1 -25 8  6  o 34.05629 13.65179 57.83429       120.7912 57.83429       120.7912 0.000000       0.000000 34.05629 13.65179 ?        ?        0.000000       13.65179 
1 1 1 -25 8  7  o 79.10679 11.43545 563.7264       149.9953 563.7264       149.9953 0.000000       0.000000 79.10679 11.43545 ?        ?        0.000000       11.43545 
1 1 1 -25 8  8  o 53.20831 11.02486 258.2269       96.88120 258.2269       96.88120 0.000000       0.000000 53.20831 11.02486 ?        ?        0.000000       11.02486 
1 1 1 -25 8  9  o 88.82081 8.187743 691.2000       122.7902 691.2000       122.7902 0.000000       0.000000 88.82081 8.187743 ?        ?        0.000000       8.187743 
1 1 1 -25 8  10 o 69.58087 9.455277 430.4328       109.4384 430.4328       109.4384 0.000000       0.000000 69.58087 9.455277 ?        ?        0.000000       9.455277 
1 1 1 -25 8  11 o 65.90168 14.04288 403.7460       153.2009 403.7460       153.2009 0.000000       0.000000 65.90168 14.04288 ?        ?        0.000000       14.04288 
1 1 1 -25 8  12 o 74.38309 11.18999 498.4466       137.7343 498.4466       137.7343 0.000000       0.000000 74.38309 11.18999 ?        ?        0.000000       11.18999 
1 1 1 -25 8  13 o 49.09482 14.39090 223.0292       128.4513 223.0292       128.4513 0.000000       0.000000 49.09482 14.39090 ?        ?        0.000000       14.39090 
1 1 1 -25 8  14 o 79.17849 10.14008 559.9188       133.9543 589.8642       146.4498 406.5619       331.4175 81.04995 10.85375 65.50976 23.41377 15.54019       25.80714 
1 1 1 -25 8  15 o 138.9086 7.865573 1685.094       185.8124 1684.370       220.3692 1686.877       345.6196 138.2275 9.391575 134.9615 15.26474 3.266006       17.92244 
1 1 1 -25 8  16 o 122.9525 9.028256 1333.150       188.2330 1402.520       230.5180 1194.341       326.0839 125.2407 10.88678 111.5098 17.71695 13.73090       20.79452 
1 1 1 -25 8  17 o 43.02525 19.12972 -24.48653      282.1464 0.000000       0.000000 -24.48653      282.1464 ?        ?        43.02525 19.12972 0.000000       19.12972 
1 1 1 -25 8  18 o 61.66522 16.57470 373.3683       178.2917 462.9081       221.1676 207.1830       301.3072 67.80788 18.55930 53.13446 21.46881 14.67342       28.37881 
1 1 1 -25 8  19 o 41.66167 16.89707 103.2675       187.4072 61.05642       221.1572 210.7813       352.9558 41.73796 17.74810 54.75872 22.79708 -13.02077      28.89121 
1 1 1 -25 8  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 8  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 8  22 o 133.5894 9.773621 1613.889       221.4136 1919.035       298.7400 1241.964       329.8131 143.4438 12.31520 109.9688 18.19946 33.47503       21.97463 
1 1 1 -25 8  23 o 35.05978 15.57180 -6.505479      186.4805 -163.7929      257.6602 166.5098       270.2356 35.24200 16.59456 47.57586 19.88898 -12.33386      25.90272 
1 1 1 -25 8  24 o 79.02812 14.89462 628.7729       193.6351 640.2333       275.2161 617.5387       272.4870 74.21584 20.85243 72.83825 20.84851 1.377586       29.48702 
1 1 1 -25 8  25 o 100.9573 16.43879 1066.150       273.6540 0.000000       0.000000 1066.150       273.6540 ?        ?        100.9573 16.43879 0.000000       16.43879 
1 1 1 -25 8  26 o 38.58099 17.61333 -4.335135      258.0651 0.000000       0.000000 -4.335135      258.0651 ?        ?        38.58099 17.61333 0.000000       17.61333 
1 1 1 -25 8  27 o 65.90269 18.84596 526.7050       222.7604 0.000000       0.000000 526.7050       222.7604 ?        ?        65.90269 18.84596 0.000000       18.84596 
1 1 1 -25 8  28 o 45.18991 17.95198 235.7645       207.0052 0.000000       0.000000 235.7645       207.0052 ?        ?        45.18991 17.95198 0.000000       17.95198 
1 1 1 -25 8  29 o 34.25362 14.67391 80.86433       153.2189 9.603351       249.3584 124.0884       194.2052 35.98087 16.73992 38.11126 16.42658 -2.130398      23.45330 
1 1 1 -25 8  30 o 66.28704 14.23399 493.3734       156.3112 257.3521       250.0180 644.8279       200.2796 44.14636 18.82373 73.10736 16.44132 -28.96100      24.99299 
1 1 1 -25 8  31 o 27.67071 12.61990 -4.124004      132.0671 383.0498       255.4438 -145.3706      154.2877 48.10635 19.64488 24.55641 11.89813 23.54994       22.96708 
1 1 1 -25 8  32 o 19.45444 9.755913 -302.5135      140.0394 -450.0691      226.8774 -211.6940      177.9930 23.85469 12.02220 24.44206 12.03769 -0.5873623     17.01291 
1 1 1 -25 9  1  o 25.91450 11.38233 -15.58732      97.02049 -36.50753      107.7389 74.13860       223.1251 26.12823 11.70434 42.69784 17.97420 -16.56961      21.44909 
1 1 1 -25 9  2  o 49.91076 13.84441 235.9667       122.1316 236.5110       142.3336 234.4470       237.8229 49.97376 15.26988 52.27505 19.64225 -2.301285      24.87946 
1 1 1 -25 9  3  o 26.43897 11.65477 -20.36203      102.5612 -104.9700      112.5936 391.9424       248.5520 23.57934 11.06065 62.72926 20.31976 -39.14992      23.13505 
1 1 1 -25 9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 9  7  o 208.2842 8.314224 3791.444       295.7195 3791.444       295.7195 0.000000       0.000000 208.2842 8.314224 ?        ?        0.000000       8.314224 
1 1 1 -25 9  8  o 68.80280 11.91144 433.7706       134.8820 433.7706       134.8820 0.000000       0.000000 68.80280 11.91144 ?        ?        0.000000       11.91144 
1 1 1 -25 9  9  o 126.7038 7.315382 1399.633       157.6076 1399.633       157.6076 0.000000       0.000000 126.7038 7.315382 ?        ?        0.000000       7.315382 
1 1 1 -25 9  10 o 69.09647 10.76977 432.2250       122.9340 432.2250       122.9340 0.000000       0.000000 69.09647 10.76977 ?        ?        0.000000       10.76977 
1 1 1 -25 9  11 o 120.3785 8.916514 1276.971       181.9895 1276.971       181.9895 0.000000       0.000000 120.3785 8.916514 ?        ?        0.000000       8.916514 
1 1 1 -25 9  12 f 199.7760 6.573802 3458.774       224.2652 3163.437       267.3137 4160.699       412.1043 190.2621 8.227482 215.8306 11.21998 -25.56851      13.91329 
1 1 1 -25 9  13 f 33.92650 13.08326 75.06762       107.2373 164.1895       114.2621 -583.5997      310.6300 42.66422 13.77273 32.04698 15.80611 10.61724       20.96476 
1 1 1 -25 9  14 o 28.39784 12.68004 -37.38493      125.3658 -42.15284      138.6236 -15.97440      293.7562 29.72318 13.29826 44.06052 19.55799 -14.33735      23.65076 
1 1 1 -25 9  15 o 42.45147 19.06233 -46.28868      287.6103 0.000000       0.000000 -46.28868      287.6103 ?        ?        42.45147 19.06233 0.000000       19.06233 
1 1 1 -25 9  16 o 75.13166 13.57159 531.3813       167.7147 531.3813       167.7147 0.000000       0.000000 75.13166 13.57159 ?        ?        0.000000       13.57159 
1 1 1 -25 9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 9  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 9  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 9  20 o 56.03949 15.20436 312.6164       149.2007 381.0619       170.7904 92.06928       306.5785 61.45310 16.08667 47.01744 20.45107 14.43566       26.01975 
1 1 1 -25 9  21 o 110.2879 9.242830 1098.253       172.4692 1238.079       231.4816 923.7751       258.5783 115.1169 11.94950 95.81438 16.39299 19.30250       20.28597 
1 1 1 -25 9  22 o 84.36501 10.32006 658.0478       145.5780 529.3848       185.9075 862.0143       234.0720 72.18507 15.54137 92.83852 15.29743 -20.65345      21.80700 
1 1 1 -25 9  23 o 23.93815 11.58366 -195.3889      145.0700 -151.1917      207.4784 -237.6643      202.9174 31.28105 14.77863 28.56603 13.79328 2.715019       20.21540 
1 1 1 -25 9  24 o 44.86903 15.24119 203.8450       139.4551 333.5129       190.6014 54.46292       204.5781 54.88352 17.79561 38.20089 16.65956 16.68263       24.37672 
1 1 1 -25 9  25 o 83.88697 12.58545 694.4197       174.7249 741.6918       257.8130 654.2635       237.6174 79.90101 19.14580 75.48571 18.56293 4.415298       26.66728 
1 1 1 -25 9  26 o 33.85410 15.15082 14.96559       180.0750 15.53530       252.1812 14.37287       257.2226 37.99611 17.37158 38.20411 17.49532 -0.2080002     24.65478 
1 1 1 -25 9  27 o 33.78892 15.31100 12.10244       190.4794 223.0044       299.3392 -131.4048      246.9222 45.42371 19.97122 32.79300 15.67119 12.63071       25.38574 
1 1 1 -25 9  28 o 32.11691 14.86217 -21.85742      192.5845 0.000000       0.000000 -21.85742      192.5845 ?        ?        32.11691 14.86217 0.000000       14.86217 
1 1 1 -25 9  29 o 32.56706 14.32972 54.34378       154.3724 524.6972       274.1713 -163.9874      186.7961 56.94742 21.15019 27.15477 13.14121 29.79265       24.90024 
1 1 1 -25 9  30 o 34.80676 14.74461 111.7692       151.6696 -290.5742      244.3551 363.9196       193.4429 27.82326 13.77700 50.45633 17.90339 -22.63307      22.59064 
1 1 1 -25 9  31 o 44.77334 15.87699 270.0373       152.1086 161.2116       243.3733 339.7978       194.8551 37.87117 17.21756 47.23639 17.77356 -9.365215      24.74558 
1 1 1 -25 10 1  o 26.35924 11.53073 -10.31065      98.67686 -63.10384      106.6068 305.4673       260.7276 24.48350 11.23083 56.15485 20.66840 -31.67135      23.52263 
1 1 1 -25 10 2  o 67.45300 9.917402 413.2411       110.8251 471.4168       126.5866 222.2913       229.3383 71.81806 10.64394 50.63204 19.22831 21.18602       21.97775 
1 1 1 -25 10 3  o 88.67598 8.484755 698.3773       126.9150 763.8955       140.6839 411.9552       294.1485 92.55106 9.015934 63.18220 22.10720 29.36885       23.87499 
1 1 1 -25 10 4  o 104.1640 8.537045 960.8307       150.5202 1053.184       172.0840 660.0529       310.5540 108.6996 9.361989 78.52950 22.18111 30.17012       24.07589 
1 1 1 -25 10 5  o 32.67437 12.66035 68.89366       100.7882 139.0122       110.8743 -264.7509      241.8558 39.85979 13.58969 32.44188 15.50512 7.417919       20.61767 
1 1 1 -25 10 6  o 38.09549 13.74076 117.9630       114.4031 117.9630       114.4031 0.000000       0.000000 38.09549 13.74076 ?        ?        0.000000       13.74076 
1 1 1 -25 10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 10 16 o 17.28635 8.594840 -234.6297      98.93258 -79.65517      104.7181 -1522.032      301.8204 23.41669 10.87902 ?        ?        0.000000       10.87902 
1 1 1 -25 10 17 o 87.96586 9.446867 697.7686       139.6843 671.9822       161.5459 774.1707       278.0698 85.32191 11.37055 86.04804 19.38871 -0.7261276     22.47691 
1 1 1 -25 10 18 o 68.64259 10.15433 432.5859       115.4354 461.5167       129.6557 321.9735       253.5206 70.46118 11.14639 56.15943 20.42438 14.30175       23.26795 
1 1 1 -25 10 19 o 80.58899 10.40871 598.0231       139.8956 641.6567       158.4152 443.4512       298.1614 82.87829 11.50338 62.67175 22.22832 20.20654       25.02850 
1 1 1 -25 10 20 o 104.0014 8.531830 972.5141       150.1900 904.2053       174.8051 1165.126       293.5329 98.99986 10.50021 107.0569 16.59308 -8.057022      19.63631 
1 1 1 -25 10 21 o 34.57730 13.84664 79.26365       124.1264 17.56569       152.1254 202.1638       214.7052 33.07253 14.39582 46.89553 18.39227 -13.82300      23.35627 
1 1 1 -25 10 22 o 57.61829 14.38367 339.0988       141.0851 201.0215       187.3151 520.1315       214.4816 45.66304 17.36889 68.68502 18.05018 -23.02198      25.04969 
1 1 1 -25 10 23 o 40.69378 14.25591 160.8940       122.3354 163.1546       153.5736 156.9686       202.3685 41.69697 15.75878 42.98164 17.51108 -1.284672      23.55795 
1 1 1 -25 10 24 o 43.98690 16.06489 200.3543       157.0826 168.8352       193.8371 260.6535       268.1055 42.68258 17.22873 48.86579 20.05996 -6.183205      26.44298 
1 1 1 -25 10 25 o 45.93056 15.62067 232.3643       146.4877 209.5293       201.3602 258.0362       213.5023 44.38562 17.68245 47.31200 18.40006 -2.926384      25.51923 
1 1 1 -25 10 26 o 45.73846 15.69100 239.2108       147.8321 171.8878       211.7472 303.2288       206.4844 41.63074 17.51666 49.07607 18.32937 -7.445320      25.35348 
1 1 1 -25 10 27 f 42.72561 16.53342 211.7998       171.7142 -185.6867      245.8797 590.2235       239.9113 30.90033 14.98340 65.44872 19.78652 -34.54840      24.81952 
1 1 1 -25 10 28 o 66.25867 14.22747 491.3074       156.1723 545.1003       249.0792 456.4608       200.4726 60.17634 20.36939 58.37744 18.16968 1.798901       27.29559 
1 1 1 -25 10 29 o 25.82217 12.07354 -50.00885      132.3129 142.1997       252.2386 -122.9732      155.4105 38.57175 17.53308 25.34933 12.19727 13.22242       21.35843 
1 1 1 -25 10 30 o 22.36518 10.85536 -136.3423      129.9094 55.23251       180.9863 -339.9431      186.5806 32.56371 14.82121 22.81146 11.41333 9.752251       18.70648 
1 1 1 -25 11 1  o 64.95922 9.121720 383.3574       98.39698 370.3158       109.9757 435.6926       220.3069 63.20450 10.56208 64.06338 18.86600 -0.8588791     21.62137 
1 1 1 -25 11 2  f 59.14228 10.42957 323.5809       101.4839 329.7849       114.2968 300.4705       220.5977 59.16350 11.72743 54.68821 19.14426 4.475288       22.45073 
1 1 1 -25 11 3  o 34.70329 12.71891 96.10636       98.58665 60.29702       110.0008 242.2906       222.2531 32.54906 13.03478 51.12287 19.03162 -18.57381      23.06747 
1 1 1 -25 11 4  o 64.81435 10.23276 385.0787       109.4987 396.6114       123.3771 342.2939       237.6361 65.24579 11.49324 57.89945 19.89223 7.346336       22.97380 
1 1 1 -25 11 5  o 120.5885 7.247734 1277.722       148.5555 1348.649       168.5584 1030.958       314.4023 123.5058 8.035841 100.3965 19.03515 23.10927       20.66184 
1 1 1 -25 11 6  o 42.22717 13.45203 165.6326       109.2784 159.6660       121.9786 189.8927       245.9611 41.99663 14.25428 49.21806 19.56326 -7.221432      24.20549 
1 1 1 -25 11 7  o 101.8346 9.123492 926.9540       156.9747 926.9540       156.9747 0.000000       0.000000 101.8346 9.123492 ?        ?        0.000000       9.123492 
1 1 1 -25 11 8  o 33.65053 14.43347 19.08761       148.5695 55.90125       152.7567 -624.9477      638.9265 36.15490 15.02016 48.51620 23.66581 -12.36130      28.02991 
1 1 1 -25 11 9  o 78.70869 12.63439 579.5883       164.0714 599.3104       173.7312 416.8884       498.9928 79.74557 13.22072 65.18350 27.11897 14.56207       30.16995 
1 1 1 -25 11 10 o 39.09021 15.34398 105.2192       149.5518 67.58586       157.6101 445.2752       473.7758 37.24048 15.34484 65.75057 26.79106 -28.51009      30.87434 
1 1 1 -25 11 11 o 68.79897 21.66187 512.1815       284.0185 0.000000       0.000000 512.1815       284.0185 ?        ?        68.79897 21.66187 0.000000       21.66187 
1 1 1 -25 11 12 f 35.99430 12.34771 112.6248       91.54576 80.70689       97.38969 354.8914       268.3133 33.21614 12.55035 58.94889 21.06729 -25.73275      24.52227 
1 1 1 -25 11 13 f 93.34803 7.925586 772.7602       125.1450 794.9184       133.5333 612.8312       358.7451 94.48947 8.362041 72.72355 24.44652 21.76592       25.83711 
1 1 1 -25 11 14 o 63.58115 11.30178 377.2472       118.2131 346.9844       130.7774 512.4298       276.4003 60.09575 13.11210 68.29805 21.34752 -8.202305      25.05282 
1 1 1 -25 11 15 o 69.82156 9.153703 441.8307       106.5118 438.0001       116.2994 461.7585       265.2591 69.06422 10.16508 64.88224 20.98891 4.181976       23.32088 
1 1 1 -25 11 16 o 71.78689 9.043429 467.1107       108.4011 529.0628       119.8910 189.5750       253.7570 76.28748 9.401999 48.53517 19.66996 27.75231       21.80149 
1 1 1 -25 11 17 o 83.94789 8.877140 636.8246       125.3274 635.4531       145.6043 640.7457       246.2009 82.96774 10.51275 77.34224 18.81986 5.625496       21.55702 
1 1 1 -25 11 18 o 81.17596 8.272030 593.0945       113.0655 595.4246       128.1385 584.9013       240.2805 80.70730 9.477882 73.14816 19.04811 7.559143       21.27582 
1 1 1 -25 11 19 o 45.97223 12.54863 207.2970       101.2705 152.9873       109.4570 530.1669       266.8813 40.16529 13.50347 67.32914 20.96560 -27.16385      24.93792 
1 1 1 -25 11 20 o 36.62771 13.41230 117.4952       109.5940 130.2623       128.3013 83.03879       210.7752 38.59204 14.44156 40.15176 17.20595 -1.559711      22.46338 
1 1 1 -25 11 21 o 36.24211 13.40829 115.3810       109.9788 163.5154       130.0451 -5.498649      206.0833 41.16405 14.67150 35.71447 16.07780 5.449585       21.76576 
1 1 1 -25 11 22 o 80.85867 8.767843 602.5894       119.1260 560.6620       133.4314 767.2737       264.4448 76.82863 10.44072 80.88542 19.39596 -4.056793      22.02753 
1 1 1 -25 11 23 f 77.24628 9.954941 566.6563       128.2603 725.5129       154.8787 219.9128       228.8196 86.89977 10.66046 45.74233 18.62633 41.15744       21.46126 
1 1 1 -25 11 24 o 37.68040 13.78004 141.0028       115.6330 127.1684       138.5147 172.8116       210.0342 37.26632 14.72255 42.09970 17.56134 -4.833374      22.91624 
1 1 1 -25 11 25 o 48.64002 16.48281 282.9934       163.0980 421.2562       215.4379 97.35744       249.6322 56.36074 18.94459 39.34762 17.70597 17.01312       25.93066 
1 1 1 -25 11 26 o 56.44379 15.46672 372.3715       153.4977 279.1248       234.4925 442.2845       203.0447 46.21820 18.84200 57.94305 18.32357 -11.72486      26.28259 
1 1 1 -25 11 27 o 25.63061 12.32114 -130.4111      157.7068 -57.98288      230.2793 -194.3877      216.4269 32.51355 15.42245 28.39697 13.83462 4.116575       20.71832 
1 1 1 -25 11 28 o 63.64234 14.13033 468.1764       149.5658 782.7323       291.6213 355.9017       174.2252 67.26896 22.02250 51.00441 17.03700 16.26455       27.84331 
1 1 1 -25 12 1  o 44.27087 11.60712 189.3526       88.82491 183.5197       98.22211 215.5345       208.0985 43.40089 12.54485 47.62904 18.26165 -4.228149      22.15538 
1 1 1 -25 12 2  o 72.94701 8.286926 479.9321       101.3973 389.5767       113.6911 831.2516       224.1819 64.50660 10.69567 91.60535 14.83858 -27.09875      18.29155 
1 1 1 -25 12 3  f 35.53849 12.04703 113.4127       87.12598 100.2448       95.27686 180.6446       215.2867 34.58541 12.52966 46.27232 18.33105 -11.68691      22.20405 
1 1 1 -25 12 4  o 96.95753 7.789349 836.6332       127.8802 913.5521       150.4552 636.4435       242.7236 100.7714 8.832281 77.44408 18.58951 23.32729       20.58104 
1 1 1 -25 12 5  f 102.7061 7.703497 936.3298       134.1253 914.8547       156.5698 995.5415       259.9829 100.7061 9.206217 100.3575 15.68349 0.3485794      18.18588 
1 1 1 -25 12 6  o 106.8169 7.938641 1013.983       143.7715 1075.000       161.0453 774.4476       319.0865 109.5885 8.676536 82.76775 22.14263 26.82074       23.78189 
1 1 1 -25 12 7  o 59.52404 11.51939 333.9094       112.8584 356.0327       128.9454 261.4691       233.3300 60.89286 12.80650 52.08707 19.47848 8.805786       23.31132 
1 1 1 -25 12 8  o 35.06734 13.49280 89.58157       113.8553 72.81880       117.4192 353.2101       465.6533 34.01786 13.51836 60.58669 25.75796 -26.56884      29.08983 
1 1 1 -25 12 9  o 47.76620 13.83714 222.2543       119.3827 201.6417       123.7932 496.1641       451.2667 45.68873 14.28748 65.37976 26.32372 -19.69103      29.95113 
1 1 1 -25 12 10 o 71.90870 26.78109 656.9804       440.1942 0.000000       0.000000 656.9804       440.1942 ?        ?        71.90870 26.78109 0.000000       26.78109 
1 1 1 -25 12 11 o 91.12482 11.71678 774.8076       178.1017 717.9144       204.8920 950.6912       360.2533 85.82510 14.49642 90.70448 23.17349 -4.879379      27.33417 
1 1 1 -25 12 12 o 90.90664 7.393984 732.8648       113.7880 689.1376       124.5418 953.7697       279.9250 87.65450 8.424051 96.31223 17.67117 -8.657738      19.57638 
1 1 1 -25 12 13 o 62.16421 9.576153 355.0551       98.39229 293.2878       103.5888 924.7758       314.6038 55.64738 11.28703 91.73746 20.58799 -36.09008      23.47898 
1 1 1 -25 12 14 o 56.83580 10.10836 300.7163       94.51281 337.5695       102.2811 85.37778       247.2398 60.19340 10.32203 43.02548 18.53951 17.16792       21.21928 
1 1 1 -25 12 15 o 71.17149 8.809000 460.2989       104.7750 474.7782       112.1987 361.6170       292.9088 72.03420 9.341033 57.32479 21.73992 14.70941       23.66176 
1 1 1 -25 12 16 o 36.29697 12.86912 116.8225       99.93057 150.3324       111.3543 -21.81887      226.4992 39.99459 13.61915 37.16758 16.78211 2.827007       21.61297 
1 1 1 -25 12 17 o 21.51143 10.13781 -89.26031      96.53669 -53.17957      103.6116 -326.7178      265.8053 24.16796 11.08087 31.64293 15.39741 -7.474966      18.97013 
1 1 1 -25 12 18 o 57.54836 11.38351 319.3723       107.9070 340.7935       123.7494 251.4083       220.4247 58.71211 12.71118 49.29222 18.81949 9.419891       22.71007 
1 1 1 -25 12 19 o 60.59077 10.88294 352.1932       108.4655 283.7520       125.7338 551.2914       214.4503 52.58129 13.82108 70.23315 17.84461 -17.65186      22.57105 
1 1 1 -25 12 20 f 22.22639 10.06371 -29.78174      82.10680 -1.160875      90.11781 -169.6306      199.2042 25.10455 10.99962 29.41984 14.06381 -4.315292      17.85448 
1 1 1 -25 12 21 o 47.49887 11.79864 227.0599       95.27110 152.4021       105.3787 561.1852       222.9308 39.01564 13.24887 68.56152 18.57831 -29.54588      22.81855 
1 1 1 -25 12 22 f 61.34904 11.35565 374.1710       114.5842 436.8586       133.8431 202.1425       221.7201 65.53222 12.41469 43.99994 18.17228 21.53228       22.00810 
1 1 1 -25 12 23 o 41.88304 14.78955 190.6099       131.8521 250.9785       169.6661 98.56062       209.5074 46.25119 16.72573 38.21435 16.75690 8.036839       23.67581 
1 1 1 -25 12 24 o 43.16946 14.81670 209.2961       131.8243 392.6187       173.8398 -38.76218      202.2171 56.84557 16.76389 32.30091 15.04348 24.54465       22.52408 
1 1 1 -25 12 25 o 76.20509 11.09297 585.7462       140.1194 567.0612       189.4665 608.3021       208.1689 68.90160 16.34884 69.84304 17.49192 -0.9414444     23.94268 
1 1 1 -25 12 26 o 29.31447 12.87484 34.94307       124.1145 -98.18015      177.2164 163.1008       173.8799 27.94336 13.33211 38.58274 16.02660 -10.63938      20.84699 
1 1 1 -25 12 27 f 29.41483 13.08160 33.86711       132.0210 35.82216       181.2995 31.66014       192.6266 32.22411 14.73134 32.59064 15.00378 -0.3665352     21.02679 
1 1 1 -25 13 1  o 103.6290 6.825918 953.8300       120.1174 970.2801       140.1769 908.3737       233.0180 103.8039 7.968704 94.70647 14.90036 9.097473       16.89737 
1 1 1 -25 13 2  o 87.83807 7.992982 696.0370       118.5812 700.3721       139.3018 684.6292       225.9747 87.16676 9.512897 80.12153 17.04030 7.045235       19.51581 
1 1 1 -25 13 3  o 51.36844 12.02310 258.2947       103.6007 257.9554       117.4677 259.4827       219.7991 50.69001 13.37592 49.95215 18.85908 0.7378578      23.12099 
1 1 1 -25 13 4  o 95.59354 7.591248 818.1205       122.9006 929.4683       146.3056 551.1916       226.5259 101.3207 8.535420 70.46617 18.56537 30.85450       20.43346 
1 1 1 -25 13 5  o 60.63033 10.66405 347.3035       106.3805 394.1617       122.7331 205.7664       213.3064 64.12503 11.63667 46.86987 18.34608 17.25516       21.72535 
1 1 1 -25 13 6  o 98.17914 7.899312 864.2122       131.3165 951.6262       149.6119 570.9326       274.0419 102.5948 8.619503 69.60831 21.17030 32.98654       22.85776 
1 1 1 -25 13 7  o 29.63255 12.36733 35.15858       104.2439 7.985176       114.5394 166.2530       251.5794 28.92277 12.54028 46.28312 19.25579 -17.36035      22.97921 
1 1 1 -25 13 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 13 9  o 64.33568 11.37632 393.4626       120.4121 314.1723       128.0082 1002.694       354.8289 56.22784 13.50184 91.70929 22.76355 -35.48145      26.46656 
1 1 1 -25 13 10 o 38.31853 13.36047 134.6402       107.3892 163.1817       116.6189 -24.56079      275.4253 41.32751 13.93804 40.10537 18.26531 1.222145       22.97586 
1 1 1 -25 13 11 o 28.62590 12.18752 20.58913       104.5207 -3.084804      110.6762 215.8331       317.8393 27.81128 12.18762 50.40493 21.34797 -22.59365      24.58198 
1 1 1 -25 13 12 o 58.60125 13.01769 339.0403       126.8826 448.0504       146.4385 10.70204       254.1456 67.49600 13.17787 39.86505 17.90874 27.63095       22.23464 
1 1 1 -25 13 13 o 34.31026 12.59339 99.82862       96.70110 143.8189       105.5206 -130.8189      241.6202 39.00494 13.25772 34.43549 16.16897 4.569450       20.90939 
1 1 1 -25 13 14 o 86.96944 8.278834 685.3053       121.4688 670.8522       133.9019 752.4698       288.6534 85.38844 9.335094 79.73484 20.93311 5.653603       22.92028 
1 1 1 -25 13 15 o 72.31198 8.892255 480.8109       107.4917 324.5041       121.6086 1039.232       229.8564 57.07127 12.79421 102.5331 13.45236 -45.46185      18.56496 
1 1 1 -25 13 16 o 49.72921 12.26582 246.5301       103.5130 282.9535       112.5090 45.70178       264.1857 53.16517 12.58732 40.70294 18.27390 12.46223       22.18955 
1 1 1 -25 13 17 o 107.0365 7.026679 1025.995       127.7219 1067.400       151.7183 925.2655       236.6390 108.2260 8.271913 94.11586 15.24530 14.11011       17.34485 
1 1 1 -25 13 18 o 39.41801 12.57296 155.6174       95.43970 179.9045       107.9164 68.42551       204.4741 41.92476 13.36923 37.86635 16.58058 4.058407       21.29911 
1 1 1 -25 13 19 o 77.81564 8.899516 565.0488       116.1325 549.9456       129.3098 628.0281       264.0563 75.73986 10.26207 69.35213 20.71164 6.387726       23.11454 
1 1 1 -25 13 20 o 53.55404 11.70155 289.7649       104.0219 342.9856       117.8329 101.8174       221.4342 57.95256 12.28793 39.29788 17.22977 18.65468       21.16265 
1 1 1 -25 13 21 o 37.88861 13.04902 146.8722       102.2891 113.8703       111.6340 319.6018       255.3939 35.05353 13.39063 49.40704 19.83469 -14.35351      23.93166 
1 1 1 -25 13 22 o 26.00748 11.87418 -29.77747      117.3197 -85.43977      144.6996 77.01465       200.4270 26.39786 12.43184 36.64830 16.21681 -10.25043      20.43369 
1 1 1 -25 13 23 o 30.98585 13.12802 59.39710       120.2643 19.72946       151.5749 126.8043       197.5887 30.97345 13.87820 38.19845 16.51631 -7.224998      21.57297 
1 1 1 -25 13 24 o 39.72553 14.70384 179.9193       132.2889 311.5993       159.2815 -112.8853      237.5168 49.63390 16.27699 31.42451 15.10999 18.20939       22.20928 
1 1 1 -25 13 25 o 54.86914 12.95255 334.9109       119.4144 403.8866       166.8480 262.4740       170.9829 56.00482 16.39705 44.47496 16.66591 11.52985       23.37981 
1 1 1 -25 14 1  o 90.55069 8.143081 748.1186       124.5698 719.3152       142.7815 839.9175       254.8997 87.62707 9.704787 86.50114 17.84838 1.125931       20.31619 
1 1 1 -25 14 2  o 28.62033 11.91042 38.10020       96.28719 5.463027       107.6236 168.9984       215.5351 27.59192 12.05676 43.64634 17.95968 -16.05442      21.63136 
1 1 1 -25 14 3  o 52.28213 11.86591 270.0406       103.5135 231.7392       116.9657 408.4126       222.3181 47.51851 13.67643 58.78390 19.22766 -11.26539      23.59550 
1 1 1 -25 14 4  o 47.71177 12.42542 227.5519       102.2381 173.1095       114.3756 443.9981       228.0552 41.69213 13.79881 61.29872 19.42303 -19.60659      23.82564 
1 1 1 -25 14 5  o 37.99620 12.91950 138.1575       100.2057 134.6442       111.7738 152.5439       226.1804 37.97800 13.59482 43.54536 18.19916 -5.567360      22.71626 
1 1 1 -25 14 6  o 51.46817 22.21139 270.3683       355.9719 0.000000       0.000000 270.3683       355.9719 ?        ?        51.46817 22.21139 0.000000       22.21139 
1 1 1 -25 14 7  o 62.06250 10.27860 365.2889       105.1219 434.6909       121.9638 164.7592       207.3168 67.36093 10.98118 43.46070 17.71706 23.90023       20.84420 
1 1 1 -25 14 8  o 23.32613 10.90086 -78.17289      107.6293 -41.28919      122.9197 -199.3763      222.8239 26.84231 12.21608 30.75546 14.74788 -3.913151      19.15026 
1 1 1 -25 14 9  o 35.92710 12.94686 117.4739       101.5331 139.1377       107.3039 -67.83932      313.8356 38.21453 13.35342 39.72919 18.58187 -1.514668      22.88230 
1 1 1 -25 14 10 o 36.03598 13.59894 112.6647       114.2536 112.6647       114.2536 0.000000       0.000000 36.03598 13.59894 ?        ?        0.000000       13.59894 
1 1 1 -25 14 11 o 64.90998 10.65879 403.0560       114.0445 575.3583       128.4276 -239.5212      248.0136 78.35600 9.813310 31.55005 15.23774 46.80595       18.12429 
1 1 1 -25 14 12 o 40.15572 14.50664 156.8062       127.5844 114.6917       139.0473 381.1019       320.8910 37.29656 14.74565 54.88522 22.16277 -17.58866      26.61996 
1 1 1 -25 14 13 o 74.23370 10.79408 528.6796       132.8237 478.2130       151.2065 699.2021       277.9450 68.59036 13.38990 74.59174 20.95468 -6.001373      24.86741 
1 1 1 -25 14 14 o 39.81896 11.73546 157.8649       85.21544 114.9804       90.21819 512.6901       259.5083 34.98129 12.24308 63.01770 20.78158 -28.03641      24.11984 
1 1 1 -25 14 15 o 35.36241 11.81301 120.7957       83.76179 119.2206       87.05000 140.4716       307.6636 35.25676 12.04133 44.38335 19.83760 -9.126595      23.20612 
1 1 1 -25 14 16 o 30.76466 11.34142 81.86890       78.55165 122.9073       85.05880 -155.9789      204.7735 35.52305 11.90393 29.83321 14.26076 5.689844       18.57613 
1 1 1 -25 14 17 o 68.10121 9.068549 436.6606       102.8401 383.8763       118.3989 598.8380       207.5345 62.02955 11.60414 72.09572 17.11322 -10.06617      20.67652 
1 1 1 -25 14 18 o 34.54806 12.38965 114.0295       92.87518 119.2524       102.6303 90.40709       218.2627 35.36181 12.97458 38.58729 17.00642 -3.225479      21.39061 
1 1 1 -25 14 19 o 43.34223 11.48683 192.0504       86.38736 235.5901       91.56535 -160.5798      260.5844 48.20237 11.31747 32.84596 15.80182 15.35641       19.43663 
1 1 1 -25 14 20 o 63.47143 10.78315 401.0786       112.6947 407.5497       132.5910 384.2387       213.8921 62.11860 12.92040 53.52881 18.84386 8.589790       22.84793 
1 1 1 -25 14 21 o 22.12803 10.58908 -108.2268      113.5656 -222.0728      139.5629 114.8954       195.3811 21.65346 10.66332 37.46814 16.31190 -15.81468      19.48806 
1 1 1 -25 14 22 o 33.12380 13.65330 93.84578       124.8304 -15.84777      146.5890 383.2805       238.1146 28.66376 13.15616 50.32862 19.47112 -21.66485      23.49913 
1 1 1 -25 14 23 o 79.49386 13.04382 687.8456       170.9248 687.8456       170.9248 0.000000       0.000000 79.49386 13.04382 ?        ?        0.000000       13.04382 
1 1 1 -25 15 3  o 24.91475 11.19998 -20.83767      99.58765 1.948115       105.6202 -203.3873      298.9547 26.92648 11.85027 34.90079 16.82431 -7.974319      20.57878 
1 1 1 -25 15 4  o 64.42381 23.75545 631.3376       344.6534 0.000000       0.000000 631.3376       344.6534 ?        ?        64.42381 23.75545 0.000000       23.75545 
1 1 1 -25 15 5  o 51.61936 12.14355 269.7808       105.2539 346.0488       118.5483 -14.19876      228.7534 58.58610 12.24386 35.83101 16.44171 22.75509       20.49980 
1 1 1 -25 15 6  o 21.85390 10.14007 -56.70478      90.53219 -37.39414      99.75871 -146.8508      215.5390 24.05891 10.97091 31.03730 14.77916 -6.978397      18.40610 
1 1 1 -25 15 7  o 33.52246 12.98269 92.67055       105.9461 48.71169       127.2250 192.1178       191.3576 31.82504 13.49414 43.63353 17.28336 -11.80849      21.92730 
1 1 1 -25 15 8  o 68.15164 9.469548 437.7293       107.2285 495.4508       123.0779 255.9100       218.4395 71.96989 10.30892 47.74828 18.59993 24.22161       21.26573 
1 1 1 -25 15 9  o 43.59470 12.21346 192.8714       94.55661 90.98831       108.8682 505.7626       190.7861 33.55014 13.11378 67.06828 16.71735 -33.51813      21.24714 
1 1 1 -25 15 10 o 38.64293 13.85718 146.7922       116.1781 129.1400       128.6864 224.5825       270.1437 37.52934 14.36737 46.64176 19.71358 -9.112427      24.39358 
1 1 1 -25 15 11 o 52.80963 11.91224 280.6653       104.8677 240.3955       113.9595 503.2573       267.9268 47.91072 13.40300 61.18536 21.11624 -13.27464      25.01072 
1 1 1 -25 15 12 o 34.85464 13.01612 110.5527       104.1184 110.5527       104.1184 0.000000       0.000000 34.85464 13.01612 ?        ?        0.000000       13.01612 
1 1 1 -25 15 13 o 55.20932 13.62814 322.1631       127.7084 299.2856       139.5325 440.2437       317.0002 52.17283 14.91402 55.31361 22.13599 -3.140778      26.69139 
1 1 1 -25 15 14 o 29.43103 12.21667 49.48919       100.9348 83.01232       107.0884 -217.3109      302.1087 32.46849 12.90766 34.23898 16.60371 -1.770485      21.03072 
1 1 1 -25 15 15 o 28.48027 12.25945 28.41497       107.8850 4.261957       120.7916 123.6635       239.8724 28.25196 12.54108 40.49654 17.83916 -12.24458      21.80629 
1 1 1 -25 15 16 o 57.27694 9.534305 316.6343       89.97642 297.0176       98.27726 418.2631       223.6912 54.46883 10.94560 55.83408 19.29305 -1.365246      22.18170 
1 1 1 -25 15 17 o 41.97367 12.42375 186.5933       95.32636 167.8196       106.5629 261.7957       213.2783 39.64527 13.32378 45.82426 18.21628 -6.178993      22.56892 
1 1 1 -25 15 18 o 30.86707 11.97096 82.77139       90.17441 108.5134       100.4321 -24.28702      204.8149 33.65489 12.73797 32.57122 15.15949 1.083675       19.80066 
1 1 1 -25 15 19 o 28.74373 11.15513 69.07750       78.34394 86.29243       82.68838 -81.95462      244.9213 30.68872 11.57183 32.80863 15.65889 -2.119904      19.47070 
1 1 1 -25 16 10 o 26.32392 11.37483 17.69124       93.60020 37.28370       99.58456 -130.7833      274.1407 28.27234 11.96045 34.24160 16.40331 -5.969252      20.30076 
1 1 1 -25 16 11 o 30.50657 12.42099 65.78809       101.7401 65.78809       101.7401 0.000000       0.000000 30.50657 12.42099 ?        ?        0.000000       12.42099 
1 1 1 -25 16 12 o 35.90802 13.14053 127.9321       105.1741 127.9321       105.1741 0.000000       0.000000 35.90802 13.14053 ?        ?        0.000000       13.14053 
1 1 1 -25 16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  1  f 25.62039 15.05152 66.97520       111.3473 66.97520       111.3473 66.97520       111.3473 25.62039 15.05152 25.62039 15.05152 0.000000       0.000000 
1 1 1 -24 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  5  o 110.0736 20.60112 1165.385       347.5051 1165.385       347.5051 1165.385       347.5051 110.0736 20.60112 110.0736 20.60112 0.000000       0.000000 
1 1 1 -24 0  6  o 45.55724 20.41343 262.9423       169.3090 262.9423       169.3090 262.9423       169.3090 45.55724 20.41343 45.55724 20.41343 -0.000000      0.000000 
1 1 1 -24 0  7  o 362.1661 11.13599 11342.90       687.2394 11342.90       687.2394 11342.90       687.2394 362.1661 11.13599 362.1661 11.13599 -0.000000      0.000000 
1 1 1 -24 0  8  o 364.7753 40.77243 13220.77       2458.457 13220.77       2458.457 13220.77       2458.457 364.7753 40.77243 364.7753 40.77243 0.000000       0.000000 
1 1 1 -24 0  9  o 112.3475 29.13510 1328.767       483.0478 1328.767       483.0478 1328.767       483.0478 112.3475 29.13510 112.3475 29.13510 0.000000       0.000000 
1 1 1 -24 0  10 o 50.45815 27.12485 334.1678       322.7145 334.1678       322.7145 334.1678       322.7145 50.45815 27.12485 50.45815 27.12485 -0.000000      0.000000 
1 1 1 -24 0  11 o 48.47346 25.30479 309.7845       274.1539 309.7845       274.1539 309.7845       274.1539 48.47346 25.30479 48.47346 25.30479 0.000000       0.000000 
1 1 1 -24 0  12 o 68.08292 29.66085 599.3372       357.8032 599.3372       357.8032 599.3372       357.8032 68.08292 29.66085 68.08292 29.66085 0.000000       0.000000 
1 1 1 -24 0  13 o 121.2882 26.24394 1478.312       476.6758 1478.312       476.6758 1478.312       476.6758 121.2882 26.24394 121.2882 26.24394 -0.000000      0.000000 
1 1 1 -24 0  14 o 58.80186 28.93379 466.7286       346.7391 466.7286       346.7391 466.7286       346.7391 58.80186 28.93379 58.80186 28.93379 0.000000       0.000000 
1 1 1 -24 0  15 o 92.56552 28.89087 961.8025       400.4558 961.8025       400.4558 961.8025       400.4558 92.56552 28.89087 92.56552 28.89087 -0.000000      0.000000 
1 1 1 -24 0  16 o 175.3908 26.56450 2962.072       741.6004 2962.072       741.6004 2962.072       741.6004 175.3908 26.56450 175.3908 26.56450 -0.000000      0.000000 
1 1 1 -24 0  17 o 105.4121 33.65260 1285.559       533.7903 1285.559       533.7903 1285.559       533.7903 105.4121 33.65260 105.4121 33.65260 -0.000000      0.000000 
1 1 1 -24 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  23 f 68.84058 28.85147 618.7432       340.4364 618.7432       340.4364 618.7432       340.4364 68.84058 28.85147 68.84058 28.85147 0.000000       0.000000 
1 1 1 -24 0  24 o 53.86022 27.01759 408.1318       304.8117 408.1318       304.8117 408.1318       304.8117 53.86022 27.01759 53.86022 27.01759 -0.000000      0.000000 
1 1 1 -24 0  25 o 37.79775 23.11434 146.0534       284.1390 146.0534       284.1390 146.0534       284.1390 37.79775 23.11434 37.79775 23.11434 -0.000000      0.000000 
1 1 1 -24 0  26 o 29.86472 19.73886 -17.31901      261.5648 -17.31901      261.5648 -17.31901      261.5648 29.86472 19.73886 29.86472 19.73886 0.000000       0.000000 
1 1 1 -24 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  28 o 146.3569 14.17502 1988.422       346.6427 1988.422       346.6427 1988.422       346.6427 146.3569 14.17502 146.3569 14.17502 -0.000000      0.000000 
1 1 1 -24 0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  30 o 23.53605 16.34891 -141.2980      231.0436 -141.2980      231.0436 -141.2980      231.0436 23.53605 16.34891 23.53605 16.34891 -0.000000      0.000000 
1 1 1 -24 0  31 o 33.16922 20.28454 145.0706       218.8421 145.0706       218.8421 145.0706       218.8421 33.16922 20.28454 33.16922 20.28454 -0.000000      0.000000 
1 1 1 -24 0  32 o 38.41100 22.10927 248.3431       232.5225 248.3431       232.5225 248.3431       232.5225 38.41100 22.10927 38.41100 22.10927 0.000000       0.000000 
1 1 1 -24 0  33 o 62.62432 22.95358 550.2060       226.6449 550.2060       226.6449 550.2060       226.6449 62.62432 22.95358 62.62432 22.95358 0.000000       0.000000 
1 1 1 -24 0  34 f 46.94826 22.73343 378.4691       212.6477 378.4691       212.6477 378.4691       212.6477 46.94826 22.73343 46.94826 22.73343 -0.000000      0.000000 
1 1 1 -24 0  35 o 36.78703 20.55972 252.7253       193.1429 252.7253       193.1429 252.7253       193.1429 36.78703 20.55972 36.78703 20.55972 0.000000       0.000000 
1 1 1 -24 1  1  o 135.9561 5.620907 1586.204       130.4990 1618.464       181.7454 1551.870       187.4958 136.7954 7.812593 133.8450 8.243380 2.950409       11.35737 
1 1 1 -24 1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  5  o 51.65028 20.20519 164.3263       258.6095 40.39584       381.9898 269.1923       351.3825 53.98920 23.15004 61.61401 23.70464 -7.624802      33.13358 
1 1 1 -24 1  6  o 146.2954 6.039777 1838.209       150.8876 1831.265       204.8752 1846.440       223.0569 145.4146 8.284781 145.8338 9.000854 -0.4191742     12.23327 
1 1 1 -24 1  7  o 211.1531 7.489404 3841.625       270.0515 3804.766       298.2506 4009.361       636.2399 209.9154 8.320227 210.6615 17.85415 -0.7460938     19.69763 
1 1 1 -24 1  8  o 87.11434 10.65051 669.1943       155.1393 652.7216       193.4400 698.8903       259.7250 85.13991 13.77540 86.73754 18.11924 -1.597633      22.76112 
1 1 1 -24 1  9  o 100.7756 10.73867 892.9928       181.9557 877.2530       203.7672 954.9325       404.2214 99.44363 12.25882 99.30697 24.08406 0.1366577      27.02444 
1 1 1 -24 1  10 o 77.20316 18.43541 557.7156       239.6953 495.5295       325.1353 631.7499       354.7594 72.88921 23.20172 81.13718 23.95365 -8.247971      33.34812 
1 1 1 -24 1  11 o 190.5794 17.28057 3281.713       556.2725 3408.273       796.4510 3161.173       777.2757 188.5534 25.38031 181.1431 25.86182 7.410309       36.23526 
1 1 1 -24 1  12 o 92.33984 17.49846 788.5079       265.8252 838.3625       361.3477 729.7042       392.4414 93.20432 22.87376 86.48204 25.09802 6.722282       33.95761 
1 1 1 -24 1  13 o 66.91073 19.62732 418.3806       238.8613 468.2074       336.6775 367.8832       338.9355 71.22555 23.67942 65.75847 23.65924 5.467079       33.47349 
1 1 1 -24 1  14 o 56.00724 18.11379 280.2007       197.5732 296.7144       274.8592 262.5461       284.1961 59.58984 21.31992 58.00507 21.53529 1.584770       30.30359 
1 1 1 -24 1  15 o 90.90957 18.27438 773.5140       273.8577 919.0094       400.6533 645.9271       375.1864 96.61455 24.30564 81.35927 24.77687 15.25528       34.70817 
1 1 1 -24 1  16 o 234.8043 19.63155 5097.719       779.9371 4901.009       1086.390 5306.934       1120.391 220.0030 29.67420 229.4842 29.25554 -9.481155      41.67067 
1 1 1 -24 1  17 o 39.85894 17.82656 -74.77241      248.8638 -115.8960      313.5844 -4.805973      409.0285 43.66175 19.72750 53.41222 23.41762 -9.750469      30.61959 
1 1 1 -24 1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  22 o 67.37519 21.69558 437.8734       283.6679 0.000000       0.000000 437.8734       283.6679 ?        ?        67.37519 21.69558 0.000000       21.69558 
1 1 1 -24 1  23 o 156.4334 13.92479 2218.834       368.0910 0.000000       0.000000 2218.834       368.0910 ?        ?        156.4334 13.92479 0.000000       13.92479 
1 1 1 -24 1  24 o 34.26397 15.79505 -127.8679      214.4565 -213.4704      312.9815 -52.10673      294.4413 39.87908 18.62047 43.27499 19.36979 -3.395912      26.86839 
1 1 1 -24 1  25 o 169.0074 9.879066 2538.570       283.8762 2577.610       414.0324 2503.936       389.9702 166.4182 14.72092 164.6505 14.00261 1.767654       20.31696 
1 1 1 -24 1  26 o 54.29419 18.63935 287.7834       208.6252 144.1199       281.8254 461.9532       310.3081 48.76795 20.34263 65.69288 22.72203 -16.92493      30.49776 
1 1 1 -24 1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  28 o 32.06786 14.96779 -123.2347      201.9428 -125.2142      297.4552 -121.5422      275.0406 39.04015 18.20322 37.69309 17.55130 1.347054       25.28647 
1 1 1 -24 1  29 o 66.58353 15.51316 457.6018       173.1152 600.0991       236.3046 292.5335       254.3318 73.67018 18.73940 52.55308 20.17934 21.11710       27.53853 
1 1 1 -24 1  30 o 44.34998 17.49278 185.5855       195.2514 185.5855       195.2514 0.000000       0.000000 44.34998 17.49278 ?        ?        0.000000       17.49278 
1 1 1 -24 1  31 o 51.74678 15.56629 293.0286       148.7570 -138.7218      226.4306 620.8708       197.3110 32.16488 15.26750 75.91165 15.73757 -43.74677      21.92642 
1 1 1 -24 1  32 o 32.74224 14.03066 57.28946       140.1555 34.96038       214.2053 74.00506       185.3342 36.02539 16.28839 36.19085 15.81778 -0.1654625     22.70493 
1 1 1 -24 1  33 o 45.68027 16.08450 253.5013       155.8452 200.6568       221.4966 305.3105       219.3163 41.97507 17.80184 47.45424 18.59502 -5.479176      25.74258 
1 1 1 -24 1  34 o 37.26668 14.97102 148.8832       145.6073 217.1777       207.4412 82.55624       204.4313 41.65108 17.42005 35.57658 16.01471 6.074497       23.66282 
1 1 1 -24 1  35 o 47.73827 14.24460 278.4848       124.9411 -9.136920      201.0537 459.4375       159.4717 31.22395 14.68925 60.62297 15.38008 -29.39901      21.26784 
1 1 1 -24 2  1  o 110.1586 6.615609 1047.192       123.8720 1135.132       165.9216 936.4573       186.1875 114.3108 8.562095 103.2398 10.71707 11.07093       13.71733 
1 1 1 -24 2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  5  o 126.5631 27.03464 1573.827       566.5431 0.000000       0.000000 1573.827       566.5431 ?        ?        126.5631 27.03464 0.000000       27.03464 
1 1 1 -24 2  6  o 254.6162 20.45530 5944.873       881.8862 5697.053       1251.139 6189.578       1243.250 238.5834 31.47741 250.8299 29.59527 -12.24658      43.20541 
1 1 1 -24 2  7  o 114.0224 7.659116 1125.719       148.2663 1053.116       164.9224 1431.679       338.5581 110.0070 8.854228 125.9325 16.11266 -15.92551      18.38519 
1 1 1 -24 2  8  o 80.58254 10.11852 572.2180       136.1684 586.5702       165.1215 541.7114       240.7354 81.01899 12.32323 76.04315 18.67482 4.975838       22.37433 
1 1 1 -24 2  9  o 41.67168 14.52002 139.3851       126.8287 66.62982       147.2205 348.8032       249.7718 37.62742 15.07567 62.35280 20.37960 -24.72538      25.34964 
1 1 1 -24 2  10 o 125.5707 9.141225 1372.381       194.6718 1450.346       215.6113 1028.462       452.8454 128.9072 9.869711 102.1859 25.91348 26.72130       27.72940 
1 1 1 -24 2  11 o 125.1649 15.94990 1415.794       333.1645 1505.354       474.6248 1328.799       467.7812 125.6628 22.96401 117.2599 24.16469 8.402977       33.33584 
1 1 1 -24 2  12 o 48.18422 18.60265 150.6646       216.9942 31.06447       309.8106 265.8382       304.0235 48.79080 20.88276 59.13919 22.21098 -10.34838      30.48635 
1 1 1 -24 2  13 o 159.3541 16.41612 2295.129       440.3262 2306.311       621.6045 2283.868       623.8321 154.9369 24.29272 153.9950 24.54654 0.9418945      34.53504 
1 1 1 -24 2  14 o 66.29487 20.57203 409.1997       257.2072 331.4643       347.9532 502.8453       381.9046 64.02592 23.81728 73.66771 25.22101 -9.641792      34.68951 
1 1 1 -24 2  15 o 111.9720 17.94709 1160.508       331.5758 1246.862       466.1401 1072.063       471.7483 112.4436 24.93017 103.2389 26.59517 9.204643       36.45293 
1 1 1 -24 2  16 o 127.0257 29.24842 1662.863       621.3334 0.000000       0.000000 1662.863       621.3334 ?        ?        127.0257 29.24842 0.000000       29.24842 
1 1 1 -24 2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  21 o 144.9622 13.33109 1887.599       326.3086 0.000000       0.000000 1887.599       326.3086 ?        ?        144.9622 13.33109 0.000000       13.33109 
1 1 1 -24 2  22 o 136.8622 13.33097 1688.234       307.6089 0.000000       0.000000 1688.234       307.6089 ?        ?        136.8622 13.33097 0.000000       13.33097 
1 1 1 -24 2  23 o 93.08849 17.56213 826.5186       268.9377 0.000000       0.000000 826.5186       268.9377 ?        ?        93.08849 17.56213 0.000000       17.56213 
1 1 1 -24 2  24 o 112.3735 12.06063 1142.295       227.8193 1270.402       362.1061 1058.364       293.0968 113.9701 19.29405 105.4296 16.84688 8.540565       25.61402 
1 1 1 -24 2  25 o 29.18909 13.97003 -233.5280      197.8191 -166.3850      304.9789 -282.2933      259.9113 40.00518 18.57912 33.58835 16.05873 6.416824       24.55742 
1 1 1 -24 2  26 o 127.0914 13.20043 1506.757       282.3083 0.000000       0.000000 1506.757       282.3083 ?        ?        127.0914 13.20043 0.000000       13.20043 
1 1 1 -24 2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 2  28 o 126.6082 10.25725 1467.875       219.8598 1604.324       330.5766 1359.647       294.4135 127.1177 15.55317 117.4899 15.01785 9.627861       21.62029 
1 1 1 -24 2  29 o 44.37597 15.46885 194.2264       143.9530 25.41435       212.0340 338.5658       196.0633 37.73137 16.68873 55.61551 18.05012 -17.88414      24.58293 
1 1 1 -24 2  30 o 100.3188 10.25384 943.8890       173.1901 564.3656       296.7069 1140.024       213.2978 65.80314 22.23193 108.9630 11.64344 -43.15990      25.09638 
1 1 1 -24 2  31 o 71.42503 14.24593 533.0896       167.6644 574.4173       224.8447 481.3258       251.6374 69.52717 18.58175 61.00879 20.47459 8.518383       27.64942 
1 1 1 -24 2  32 o 42.90211 15.27334 203.3657       140.8943 16.10352       210.4665 355.4372       189.6626 35.00069 15.95064 53.41174 17.77351 -18.41105      23.88139 
1 1 1 -24 2  33 o 23.88449 11.43321 -115.4570      132.6264 -313.8990      216.6827 3.424397       167.7121 26.22572 12.98374 31.17271 14.21873 -4.946987      19.25486 
1 1 1 -24 2  34 o 22.98553 11.15983 -152.6005      137.5768 -190.2117      201.4261 -119.7116      188.3569 27.22612 13.28225 28.04642 13.47811 -0.8203011     18.92294 
1 1 1 -24 2  35 o 45.26450 14.29856 254.1950       123.6651 288.2175       200.8663 233.4277       156.9329 43.65960 17.56810 41.66687 15.88627 1.992729       23.68568 
1 1 1 -24 3  1  o 119.7278 5.833666 1230.929       119.2720 1489.335       157.6732 885.2776       182.3587 131.3397 7.055927 100.2984 10.81835 31.04134       12.91599 
1 1 1 -24 3  2  o 107.7636 6.492164 1001.920       118.9135 1140.862       146.2444 730.8147       204.2826 114.8285 7.499276 90.22295 13.68881 24.60550       15.60842 
1 1 1 -24 3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 3  7  o 168.6561 13.94999 2523.561       398.1636 2443.383       717.3383 2559.262       478.6700 157.8348 27.62070 168.4209 16.87009 -10.58615      32.36515 
1 1 1 -24 3  8  o 194.4786 14.51695 3361.376       478.6385 3340.115       824.4029 3372.187       587.8654 185.5903 26.78803 192.7518 18.07078 -7.161423      32.31334 
1 1 1 -24 3  9  f 176.0183 6.911438 2667.140       207.7439 2741.791       231.8074 2362.545       468.2420 178.3095 7.612914 161.4849 17.24672 16.82465       18.85221 
1 1 1 -24 3  10 o 50.77169 13.71992 234.9904       121.7774 262.3182       146.0128 172.5461       220.7165 53.61266 15.23248 49.75249 18.87079 3.860168       24.25150 
1 1 1 -24 3  11 o 58.91973 13.39117 317.3630       131.6788 304.8172       148.9889 362.1385       281.4651 57.54970 15.00558 63.84129 21.65296 -6.291592      26.34422 
1 1 1 -24 3  12 o 255.1588 8.361423 5629.827       364.3281 5691.277       384.8057 5098.130       1131.916 256.3781 8.789387 225.3633 30.16938 31.01489       31.42364 
1 1 1 -24 3  13 o 100.3261 17.73646 932.1630       292.7512 918.5711       403.0905 947.3347       425.8737 96.68710 24.41001 97.82160 25.30363 -1.134506      35.15853 
1 1 1 -24 3  14 o 80.80320 21.87227 629.9326       309.1841 712.9399       418.4362 530.1130       458.8590 84.97317 26.21796 76.27856 27.51804 8.694603       38.00821 
1 1 1 -24 3  15 f 300.4329 23.93177 8622.705       1217.608 8763.688       1713.668 8478.961       1730.368 285.0082 36.01397 278.2151 37.36587 6.793152       51.89618 
1 1 1 -24 3  16 o 42.10165 19.27881 -165.2016      312.2632 -165.2016      312.2632 0.000000       0.000000 42.10165 19.27881 ?        ?        0.000000       19.27881 
1 1 1 -24 3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 3  20 o 188.2883 13.13200 3165.481       419.5927 0.000000       0.000000 3165.481       419.5927 ?        ?        188.2883 13.13200 0.000000       13.13200 
1 1 1 -24 3  21 o 73.00436 20.98868 521.9661       275.6110 0.000000       0.000000 521.9661       275.6110 ?        ?        73.00436 20.98868 0.000000       20.98868 
1 1 1 -24 3  22 o 184.2576 10.99516 3004.279       344.3857 0.000000       0.000000 3004.279       344.3857 ?        ?        184.2576 10.99516 0.000000       10.99516 
1 1 1 -24 3  23 o 119.6347 15.21173 1325.849       303.7418 0.000000       0.000000 1325.849       303.7418 ?        ?        119.6347 15.21173 0.000000       15.21173 
1 1 1 -24 3  24 o 66.46519 23.65103 442.0321       337.8142 0.000000       0.000000 442.0321       337.8142 ?        ?        66.46519 23.65103 0.000000       23.65103 
1 1 1 -24 3  25 o 54.54871 19.26433 282.9131       223.7163 772.3747       325.5825 -154.8867      307.9211 84.96992 22.19545 40.31928 18.70536 44.65064       29.02634 
1 1 1 -24 3  26 o 86.78773 24.30998 869.9412       374.6493 869.9412       374.6493 0.000000       0.000000 86.78773 24.30998 ?        ?        0.000000       24.30998 
1 1 1 -24 3  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 3  28 o 42.53167 16.57154 151.0646       173.4237 245.5017       241.8658 51.13714       248.7972 50.37309 19.58595 41.49130 18.22560 8.881794       26.75410 
1 1 1 -24 3  29 o 96.03483 10.48927 861.8701       169.2216 860.3187       277.3632 862.7899       213.5778 87.91852 19.02651 93.28629 13.82569 -5.367767      23.51930 
1 1 1 -24 3  30 o 34.01044 14.57708 48.75879       151.3404 267.3688       192.9050 -301.1768      244.0633 49.29963 17.83347 29.95773 14.61613 19.34191       23.05784 
1 1 1 -24 3  31 o 35.97252 14.99084 91.73237       152.8355 -23.67006      258.6680 153.6295       189.4396 37.01919 17.16369 41.07463 16.86193 -4.055439      24.06069 
1 1 1 -24 3  32 o 31.85077 14.01993 36.09224       147.8941 62.21583       199.6024 4.292429       220.2225 35.97650 16.03656 34.84875 16.04305 1.127750       22.68371 
1 1 1 -24 3  33 f 24.67700 12.30429 -365.8353      208.7932 -365.8353      208.7932 0.000000       0.000000 24.67700 12.30429 ?        ?        0.000000       12.30429 
1 1 1 -24 3  34 o 35.51513 14.55826 127.8397       140.9548 185.8043       207.4613 78.13919       192.1038 39.70172 17.04317 34.64037 15.56527 5.061348       23.08131 
1 1 1 -24 3  35 o 40.67248 14.96925 214.3210       136.7623 423.2579       198.9478 27.12602       188.3123 52.01812 18.18221 31.46431 14.60815 20.55381       23.32361 
1 1 1 -24 4  1  o 113.6204 6.207019 1112.820       119.9760 1134.134       146.2950 1069.040       209.6655 114.4536 7.527098 110.1484 11.30710 4.305145       13.58336 
1 1 1 -24 4  2  o 88.56207 7.692101 681.3766       115.1754 708.5745       138.5405 620.5155       207.2423 90.01478 9.139578 82.44456 15.28300 7.570213       17.80736 
1 1 1 -24 4  3  o 41.50103 11.75972 154.4371       87.14568 165.9935       97.47488 108.4146       194.5205 43.07012 12.51087 44.20196 17.45186 -1.131844      21.47299 
1 1 1 -24 4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  8  o 28.61227 13.57519 -206.4688      178.6291 0.000000       0.000000 -206.4688      178.6291 ?        ?        28.61227 13.57519 0.000000       13.57519 
1 1 1 -24 4  9  o 114.8324 14.81012 1186.361       283.6504 1122.546       523.0883 1212.941       337.5947 105.4176 28.41353 114.8990 17.78014 -9.481422      33.51809 
1 1 1 -24 4  10 o 40.57421 16.68261 59.52959       185.7933 207.9781       316.6215 -18.43054      229.4503 56.80206 22.31658 40.58086 17.67186 16.22121       28.46619 
1 1 1 -24 4  11 o 33.83164 15.55348 -135.5289      206.0244 -260.3353      349.7787 -69.22604      254.9419 42.60297 19.82259 40.74763 18.14645 1.855343       26.87431 
1 1 1 -24 4  12 o 47.75848 18.68056 140.3897       221.0342 266.7059       447.5591 99.64225       254.1973 65.08871 26.21225 47.82533 19.57113 17.26339       32.71255 
1 1 1 -24 4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  14 o 103.6548 28.81465 1105.984       528.4580 1105.984       528.4580 0.000000       0.000000 103.6548 28.81465 ?        ?        0.000000       28.81465 
1 1 1 -24 4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  19 o 44.80408 19.50186 -1.585896      279.1642 0.000000       0.000000 -1.585896      279.1642 ?        ?        44.80408 19.50186 0.000000       19.50186 
1 1 1 -24 4  20 o 203.2055 10.93449 3640.749       378.0377 0.000000       0.000000 3640.749       378.0377 ?        ?        203.2055 10.93449 0.000000       10.93449 
1 1 1 -24 4  21 o 78.67872 19.95994 604.8351       268.5956 0.000000       0.000000 604.8351       268.5956 ?        ?        78.67872 19.95994 0.000000       19.95994 
1 1 1 -24 4  22 o 92.14955 20.53231 839.1312       314.8295 0.000000       0.000000 839.1312       314.8295 ?        ?        92.14955 20.53231 0.000000       20.53231 
1 1 1 -24 4  23 o 47.89097 21.12584 5.258977       337.5553 0.000000       0.000000 5.258977       337.5553 ?        ?        47.89097 21.12584 0.000000       21.12584 
1 1 1 -24 4  24 o 101.7844 16.48205 995.7164       276.6854 0.000000       0.000000 995.7164       276.6854 ?        ?        101.7844 16.48205 0.000000       16.48205 
1 1 1 -24 4  25 o 173.7737 10.92010 2731.324       322.4026 0.000000       0.000000 2731.324       322.4026 ?        ?        173.7737 10.92010 0.000000       10.92010 
1 1 1 -24 4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 4  27 o 29.07443 13.62678 -125.3796      170.2851 -497.9469      274.8864 106.6232       216.9190 29.69761 14.68856 42.51357 17.79998 -12.81595      23.07798 
1 1 1 -24 4  28 o 78.18095 13.90674 604.1166       178.8601 528.4017       251.4500 681.6609       254.4697 67.82169 20.20136 78.48445 19.15505 -10.66276      27.83901 
1 1 1 -24 4  29 f 70.42773 14.77070 510.3803       171.9702 788.8441       271.8692 324.6479       222.0340 82.98284 19.51324 53.56402 19.16219 29.41882       27.34879 
1 1 1 -24 4  30 o 74.69077 12.98935 559.9427       159.6593 623.4539       248.9253 515.5542       208.1033 71.80543 19.70447 67.03188 17.85868 4.773544       26.59320 
1 1 1 -24 4  31 o 38.94407 15.99108 134.1366       170.4276 127.9319       260.7895 138.7617       225.1591 41.67405 18.46666 41.01162 17.68196 0.6624374      25.56695 
1 1 1 -24 4  32 o 46.39416 15.01910 249.0031       135.8059 48.93911       204.1717 407.7543       181.8735 35.30987 15.93930 57.06289 17.22248 -21.75302      23.46646 
1 1 1 -24 4  33 o 53.74767 14.56984 336.7502       137.0779 268.4819       235.1005 371.9125       168.7261 44.41662 18.55817 53.96817 16.64800 -9.551556      24.93114 
1 1 1 -24 4  34 o 52.64759 17.84420 400.1786       191.1532 400.1786       191.1532 0.000000       0.000000 52.64759 17.84420 ?        ?        0.000000       17.84420 
1 1 1 -24 4  35 o 32.36642 13.59175 102.1499       127.0800 153.0710       172.3855 41.53852       188.0741 36.10663 15.51880 31.77884 14.69917 4.327787       21.37519 
1 1 1 -24 5  1  o 175.1927 6.369643 2640.427       190.5605 3002.910       257.0811 2198.379       283.8965 186.4071 8.076174 158.4957 10.54942 27.91139       13.28589 
1 1 1 -24 5  2  o 94.42061 7.236025 772.6315       115.7847 627.5137       137.1685 1132.297       215.9451 84.50790 9.679637 113.3601 11.30613 -28.85219      14.88368 
1 1 1 -24 5  3  o 108.9701 7.649705 1029.158       141.4468 1029.158       141.4468 0.000000       0.000000 108.9701 7.649705 ?        ?        0.000000       7.649705 
1 1 1 -24 5  4  o 237.8583 8.414764 4889.829       341.7922 4889.829       341.7922 0.000000       0.000000 237.8583 8.414764 ?        ?        0.000000       8.414764 
1 1 1 -24 5  5  o 210.8632 8.024769 3838.104       288.9583 3838.104       288.9583 0.000000       0.000000 210.8632 8.024769 ?        ?        0.000000       8.024769 
1 1 1 -24 5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  17 o 107.9416 18.09691 1088.853       321.7691 0.000000       0.000000 1088.853       321.7691 ?        ?        107.9416 18.09691 0.000000       18.09691 
1 1 1 -24 5  18 o 78.09392 21.18842 595.1045       289.7526 0.000000       0.000000 595.1045       289.7526 ?        ?        78.09392 21.18842 0.000000       21.18842 
1 1 1 -24 5  19 o 107.2443 16.34485 1065.284       289.8704 0.000000       0.000000 1065.284       289.8704 ?        ?        107.2443 16.34485 0.000000       16.34485 
1 1 1 -24 5  20 o 96.54375 19.10800 894.1400       303.8715 0.000000       0.000000 894.1400       303.8715 ?        ?        96.54375 19.10800 0.000000       19.10800 
1 1 1 -24 5  21 o 36.71289 17.41032 -290.8336      293.1352 0.000000       0.000000 -290.8336      293.1352 ?        ?        36.71289 17.41032 0.000000       17.41032 
1 1 1 -24 5  22 o 84.12196 20.51150 709.9034       291.9959 0.000000       0.000000 709.9034       291.9959 ?        ?        84.12196 20.51150 0.000000       20.51150 
1 1 1 -24 5  23 o 44.55405 19.04560 59.75528       257.1176 0.000000       0.000000 59.75528       257.1176 ?        ?        44.55405 19.04560 0.000000       19.04560 
1 1 1 -24 5  24 o 148.0700 11.90863 1999.862       298.5674 0.000000       0.000000 1999.862       298.5674 ?        ?        148.0700 11.90863 0.000000       11.90863 
1 1 1 -24 5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 5  27 o 51.19481 16.54276 269.0734       164.8153 206.2875       267.4964 307.4945       209.2530 49.07626 20.07906 53.93304 18.65866 -4.856781      27.41012 
1 1 1 -24 5  28 o 36.43653 15.44844 64.04106       166.7266 24.26182       288.6473 83.95791       204.2441 41.89122 18.92725 39.76739 16.98645 2.123829       25.43188 
1 1 1 -24 5  29 o 48.38918 16.71120 251.5964       167.8159 368.6422       223.4592 100.1961       254.1463 55.96796 19.28624 42.18412 18.47782 13.78383       26.70934 
1 1 1 -24 5  30 o 22.58767 10.98635 -186.9648      134.9346 -328.6419      193.1298 -51.85093      188.6035 25.01019 12.35926 31.92948 14.75160 -6.919285      19.24477 
1 1 1 -24 5  31 o 36.79002 14.26765 129.2873       128.0919 -142.8016      182.5493 393.1865       179.7809 27.97761 13.39807 56.97032 17.10708 -28.99270      21.72925 
1 1 1 -24 5  32 o 34.86604 14.35852 107.1519       137.9054 149.0304       244.5658 87.62874       166.9844 40.06569 17.81220 34.97896 15.15378 5.086731       23.38614 
1 1 1 -24 5  33 o 65.33479 14.37975 489.0551       156.0851 454.8706       239.6554 514.2370       205.6920 53.91505 19.81988 61.19445 18.28098 -7.279396      26.96334 
1 1 1 -24 5  34 o 37.14971 14.73596 163.4825       139.2885 211.3614       202.7349 120.6757       191.6958 39.76991 16.95393 35.52894 15.78373 4.240974       23.16381 
1 1 1 -24 6  1  o 113.9105 6.914409 1123.069       133.8632 1120.042       166.4932 1128.604       225.1287 113.3211 8.669444 112.7372 11.87243 0.5838547      14.70081 
1 1 1 -24 6  2  o 32.06707 13.32218 26.84147       120.1750 26.84147       120.1750 0.000000       0.000000 32.06707 13.32218 ?        ?        0.000000       13.32218 
1 1 1 -24 6  3  o 165.6821 7.424275 2367.772       210.0544 2367.772       210.0544 0.000000       0.000000 165.6821 7.424275 ?        ?        0.000000       7.424275 
1 1 1 -24 6  4  o 115.5465 7.495961 1156.307       147.1075 1156.307       147.1075 0.000000       0.000000 115.5465 7.495961 ?        ?        0.000000       7.495961 
1 1 1 -24 6  5  o 275.1703 9.071471 6562.294       426.2665 6562.294       426.2665 0.000000       0.000000 275.1703 9.071471 ?        ?        0.000000       9.071471 
1 1 1 -24 6  6  o 72.43460 9.311816 462.1156       112.5142 462.1156       112.5142 0.000000       0.000000 72.43460 9.311816 ?        ?        0.000000       9.311816 
1 1 1 -24 6  7  o 201.6985 7.944266 3513.162       273.6267 3513.162       273.6267 0.000000       0.000000 201.6985 7.944266 ?        ?        0.000000       7.944266 
1 1 1 -24 6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 6  14 o 39.35247 15.33929 92.31954       148.6395 92.31954       148.6395 0.000000       0.000000 39.35247 15.33929 ?        ?        0.000000       15.33929 
1 1 1 -24 6  15 o 134.6363 12.19543 1608.723       277.3459 1608.723       277.3459 0.000000       0.000000 134.6363 12.19543 ?        ?        0.000000       12.19543 
1 1 1 -24 6  16 o 59.65312 16.54812 332.7360       174.4850 415.3657       214.8031 172.4550       299.1668 66.19106 18.36035 53.63217 21.48973 12.55890       28.26501 
1 1 1 -24 6  17 o 127.6979 9.302594 1427.764       201.4619 1617.794       263.5741 1160.744       312.4382 135.0999 11.53528 111.9075 16.87375 23.19238       20.43982 
1 1 1 -24 6  18 o 168.2680 8.082348 2456.354       232.2421 1992.299       303.8271 3108.597       360.2021 149.7055 11.98515 187.5805 11.29764 -37.87497      16.47060 
1 1 1 -24 6  19 o 80.45932 24.72052 657.8290       372.4510 0.000000       0.000000 657.8290       372.4510 ?        ?        80.45932 24.72052 0.000000       24.72052 
1 1 1 -24 6  20 o 146.4244 13.92185 1947.781       343.9174 0.000000       0.000000 1947.781       343.9174 ?        ?        146.4244 13.92185 0.000000       13.92185 
1 1 1 -24 6  21 o 30.06015 14.81054 -516.9294      270.3397 0.000000       0.000000 -516.9294      270.3397 ?        ?        30.06015 14.81054 0.000000       14.81054 
1 1 1 -24 6  22 o 133.7979 13.25690 1641.166       298.9092 0.000000       0.000000 1641.166       298.9092 ?        ?        133.7979 13.25690 0.000000       13.25690 
1 1 1 -24 6  23 o 101.0045 15.95809 982.5319       266.1048 0.000000       0.000000 982.5319       266.1048 ?        ?        101.0045 15.95809 0.000000       15.95809 
1 1 1 -24 6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 6  26 o 57.25285 18.90692 350.9841       214.7731 0.000000       0.000000 350.9841       214.7731 ?        ?        57.25285 18.90692 0.000000       18.90692 
1 1 1 -24 6  27 o 31.79600 14.29295 -25.65394      162.1738 -25.58706      265.1711 -25.69390      204.9769 39.26203 17.89703 35.28447 15.94532 3.977566       23.96992 
1 1 1 -24 6  28 o 33.01958 14.73414 -3.121427      168.9783 45.67148       290.1311 -28.16917      207.8740 42.12412 19.00934 34.93178 15.89324 7.192345       24.77802 
1 1 1 -24 6  29 o 38.79615 16.22634 109.2972       179.9906 149.1157       269.8087 77.36714       241.6096 44.08225 19.17995 40.22615 17.80230 3.856102       26.16854 
1 1 1 -24 6  30 o 38.36594 15.83845 126.1800       168.3203 96.65714       247.0975 151.7390       229.9120 40.01331 17.83888 41.68235 17.91887 -1.669037      25.28461 
1 1 1 -24 6  31 o 63.93296 14.84447 460.3950       158.9547 547.9500       231.5735 382.3893       218.5806 63.33561 19.49800 52.81882 19.00017 10.51678       27.22460 
1 1 1 -24 6  32 o 89.55239 11.16028 815.2416       166.9652 898.8741       279.0226 768.5901       208.3933 79.77139 20.40178 81.18660 15.59816 -1.415207      25.68142 
1 1 1 -24 6  33 o 23.48298 11.43741 -162.3668      147.6298 121.7007       241.6049 -331.6234      186.4952 37.35563 17.04943 23.15277 11.55773 14.20286       20.59767 
1 1 1 -24 6  34 o 32.32797 14.08747 88.67278       146.0322 127.0180       229.8126 62.70369       189.1241 36.03259 16.51412 32.72783 14.99271 3.304760       22.30465 
1 1 1 -24 7  1  o 199.6210 6.419648 3437.251       218.8363 3099.063       267.4770 4121.922       380.5818 188.9075 8.291541 216.8890 10.27563 -27.98146      13.20372 
1 1 1 -24 7  2  o 140.2144 6.691129 1695.797       160.2116 1710.880       193.1460 1662.530       286.8450 140.2850 8.096968 136.6480 12.42842 3.637024       14.83329 
1 1 1 -24 7  3  o 188.6363 8.085924 3080.919       260.4695 3080.919       260.4695 0.000000       0.000000 188.6363 8.085924 ?        ?        0.000000       8.085924 
1 1 1 -24 7  4  o 26.14714 11.55114 -27.47909      101.2833 -27.47909      101.2833 0.000000       0.000000 26.14714 11.55114 ?        ?        0.000000       11.55114 
1 1 1 -24 7  5  o 43.66632 11.84222 172.8104       90.53394 172.8104       90.53394 0.000000       0.000000 43.66632 11.84222 ?        ?        0.000000       11.84222 
1 1 1 -24 7  6  o 161.9761 7.424598 2263.931       205.3647 2263.931       205.3647 0.000000       0.000000 161.9761 7.424598 ?        ?        0.000000       7.424598 
1 1 1 -24 7  7  o 66.11538 9.691150 387.5829       106.1676 387.5829       106.1676 0.000000       0.000000 66.11538 9.691150 ?        ?        0.000000       9.691150 
1 1 1 -24 7  8  o 249.9557 8.630736 5412.377       368.3942 5412.377       368.3942 0.000000       0.000000 249.9557 8.630736 ?        ?        0.000000       8.630736 
1 1 1 -24 7  9  o 184.8450 7.761005 2952.254       244.9784 2952.254       244.9784 0.000000       0.000000 184.8450 7.761005 ?        ?        0.000000       7.761005 
1 1 1 -24 7  10 o 132.9065 7.750690 1531.439       175.1459 1531.439       175.1459 0.000000       0.000000 132.9065 7.750690 ?        ?        0.000000       7.750690 
1 1 1 -24 7  11 o 123.6006 7.922149 1326.373       166.3309 1326.373       166.3309 0.000000       0.000000 123.6006 7.922149 ?        ?        0.000000       7.922149 
1 1 1 -24 7  12 o 280.5161 9.291218 6840.569       445.0741 6840.569       445.0741 0.000000       0.000000 280.5161 9.291218 ?        ?        0.000000       9.291218 
1 1 1 -24 7  13 o 139.6915 8.463289 1697.846       200.9358 1697.846       200.9358 0.000000       0.000000 139.6915 8.463289 ?        ?        0.000000       8.463289 
1 1 1 -24 7  14 o 300.5016 7.523346 7807.309       386.0644 8025.193       515.4791 7528.969       582.6204 303.2536 9.954127 292.5549 11.66209 10.69864       15.33261 
1 1 1 -24 7  15 o 87.62356 11.13890 683.9995       162.9060 758.7875       193.5592 502.3584       301.6510 91.82278 12.68271 72.05863 22.26511 19.76415       25.62394 
1 1 1 -24 7  16 o 58.91760 15.76843 324.8686       161.7791 435.1777       188.8050 20.16028       313.7979 67.96288 16.44600 47.99377 20.78277 19.96911       26.50273 
1 1 1 -24 7  17 o 127.3103 8.891879 1417.921       192.0981 1492.335       237.2001 1276.099       327.4619 129.9016 10.79065 117.1952 16.84678 12.70638       20.00630 
1 1 1 -24 7  18 o 68.89496 24.82088 448.5268       373.1525 0.000000       0.000000 448.5268       373.1525 ?        ?        68.89496 24.82088 0.000000       24.82088 
1 1 1 -24 7  19 o 117.3845 11.01413 1229.193       218.1998 760.5886       297.9924 1770.870       320.3852 87.60059 20.31491 139.5933 13.61346 -51.99271      24.45448 
1 1 1 -24 7  20 o 119.1190 10.64848 1266.580       214.3222 1311.216       304.6231 1222.827       301.5945 118.5166 15.41655 114.0918 15.91305 4.424873       22.15616 
1 1 1 -24 7  21 o 60.37695 20.89120 356.3234       262.3285 0.000000       0.000000 356.3234       262.3285 ?        ?        60.37695 20.89120 0.000000       20.89120 
1 1 1 -24 7  22 o 51.46912 21.13301 183.2017       297.6322 0.000000       0.000000 183.2017       297.6322 ?        ?        51.46912 21.13301 0.000000       21.13301 
1 1 1 -24 7  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 7  25 o 83.98331 16.48395 717.7059       227.9639 0.000000       0.000000 717.7059       227.9639 ?        ?        83.98331 16.48395 0.000000       16.48395 
1 1 1 -24 7  26 o 30.03097 14.31864 -186.3122      203.7059 0.000000       0.000000 -186.3122      203.7059 ?        ?        30.03097 14.31864 0.000000       14.31864 
1 1 1 -24 7  27 o 34.59406 15.79286 -39.66161      207.4628 0.000000       0.000000 -39.66161      207.4628 ?        ?        34.59406 15.79286 0.000000       15.79286 
1 1 1 -24 7  28 o 31.56051 14.25532 -20.09509      163.5934 36.45932       293.9779 -45.46465      196.8965 41.38813 18.85763 33.17338 15.23391 8.214748       24.24215 
1 1 1 -24 7  29 o 29.68596 13.38915 -13.29601      143.7092 77.98027       219.1714 -82.13501      190.3365 38.48135 16.99651 30.83243 14.43670 7.648920       22.30022 
1 1 1 -24 7  30 o 67.81713 14.03105 497.9529       157.1329 619.4753       260.8087 428.7064       196.8760 66.21574 20.74322 58.09772 17.99337 8.118015       27.45983 
1 1 1 -24 7  31 o 61.72781 13.30224 414.6619       136.0850 364.9615       233.7721 440.1367       167.3660 50.16529 19.32500 60.53320 15.96261 -10.36792      25.06512 
1 1 1 -24 7  32 o 89.26104 10.10539 794.0525       151.3206 630.6256       288.0702 856.3316       177.8311 59.98727 21.77851 90.50925 11.78521 -30.52198      24.76276 
1 1 1 -24 7  33 o 64.08363 12.94358 463.1807       136.7687 528.9410       252.5853 435.9022       162.6811 54.34875 20.27767 57.87581 15.94894 -3.527061      25.79830 
1 1 1 -24 8  1  o 131.3052 7.094106 1498.368       158.4773 1571.223       183.4513 1284.094       314.6122 134.1361 8.046082 117.3285 16.12911 16.80756       18.02464 
1 1 1 -24 8  2  o 192.5058 6.558170 3201.903       215.5899 3167.498       264.0235 3270.744       373.4670 190.8787 8.099966 191.9612 11.44498 -1.082581      14.02131 
1 1 1 -24 8  3  o 79.45395 8.975392 556.7010       119.6437 570.1957       136.3811 511.6224       249.2640 80.06046 10.20775 72.59005 19.63450 7.470413       22.12943 
1 1 1 -24 8  4  o 142.4697 8.057802 1765.598       195.2348 1765.598       195.2348 0.000000       0.000000 142.4697 8.057802 ?        ?        0.000000       8.057802 
1 1 1 -24 8  5  o 223.4544 8.160791 4328.813       311.4033 4328.813       311.4033 0.000000       0.000000 223.4544 8.160791 ?        ?        0.000000       8.160791 
1 1 1 -24 8  6  o 57.96328 10.49557 302.3307       100.0621 302.3307       100.0621 0.000000       0.000000 57.96328 10.49557 ?        ?        0.000000       10.49557 
1 1 1 -24 8  7  o 235.2037 8.338071 4795.165       334.8973 4795.165       334.8973 0.000000       0.000000 235.2037 8.338071 ?        ?        0.000000       8.338071 
1 1 1 -24 8  8  o 118.5065 7.958192 1220.659       160.1147 1220.659       160.1147 0.000000       0.000000 118.5065 7.958192 ?        ?        0.000000       7.958192 
1 1 1 -24 8  9  o 131.0147 7.401782 1487.369       164.9215 1487.369       164.9215 0.000000       0.000000 131.0147 7.401782 ?        ?        0.000000       7.401782 
1 1 1 -24 8  10 o 24.83323 10.77785 -10.15290      84.77469 -10.15290      84.77469 0.000000       0.000000 24.83323 10.77785 ?        ?        0.000000       10.77785 
1 1 1 -24 8  11 o 128.0069 8.213026 1425.445       178.5832 1425.445       178.5832 0.000000       0.000000 128.0069 8.213026 ?        ?        0.000000       8.213026 
1 1 1 -24 8  12 o 70.37632 11.59468 446.0805       134.4901 446.0805       134.4901 0.000000       0.000000 70.37632 11.59468 ?        ?        0.000000       11.59468 
1 1 1 -24 8  13 o 206.7756 7.113121 3693.863       251.1664 3858.704       308.4829 3369.678       432.6080 210.7829 8.570254 194.4020 13.10795 16.38098       15.66103 
1 1 1 -24 8  14 o 75.67339 11.96882 517.0066       149.5220 571.7219       168.6742 316.2802       323.0699 79.33716 12.89267 61.48539 22.93451 17.85176       26.30994 
1 1 1 -24 8  15 o 169.7346 7.533950 2496.125       218.3710 2498.287       255.1591 2490.208       422.1612 169.1195 8.866061 165.3764 15.11582 3.743027       17.52413 
1 1 1 -24 8  16 o 120.8048 9.901403 1287.714       202.4649 1349.835       239.8622 1133.772       377.5890 122.9972 11.55543 107.3015 21.35785 15.69576       24.28344 
1 1 1 -24 8  17 o 46.29770 15.91966 185.9608       152.2151 168.3825       175.8372 238.5175       304.0444 46.05318 16.96992 56.08525 21.91713 -10.03207      27.71892 
1 1 1 -24 8  18 o 29.37900 13.37051 -74.06023      147.2486 -8.348366      172.1289 -253.3633      284.3319 35.04771 15.28297 36.68216 17.32123 -1.634457      23.09966 
1 1 1 -24 8  19 o 80.65738 13.46666 604.6349       178.9439 745.7549       233.1212 402.2217       279.1946 88.38890 16.03533 63.64368 21.56555 24.74522       26.87387 
1 1 1 -24 8  20 o 90.12691 12.11450 745.6667       181.7282 814.7137       246.9297 664.0798       268.4179 91.82040 16.34748 80.65049 19.66649 11.16991       25.57363 
1 1 1 -24 8  21 o 40.46436 16.37350 97.96511       175.5352 -7.245092      249.7067 200.7463       246.8073 40.73560 18.05947 50.03320 19.68851 -9.297600      26.71670 
1 1 1 -24 8  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 8  23 o 20.76294 10.48668 -546.4684      178.0021 -641.1527      275.0076 -478.1992      233.5167 27.76970 13.88843 26.87459 13.33535 0.8951168      19.25409 
1 1 1 -24 8  24 o 52.50420 18.70103 282.2104       211.2555 0.000000       0.000000 282.2104       211.2555 ?        ?        52.50420 18.70103 0.000000       18.70103 
1 1 1 -24 8  25 o 48.76750 18.56217 234.8248       214.0271 0.000000       0.000000 234.8248       214.0271 ?        ?        48.76750 18.56217 0.000000       18.56217 
1 1 1 -24 8  26 o 43.55661 17.91333 154.5681       214.2839 0.000000       0.000000 154.5681       214.2839 ?        ?        43.55661 17.91333 0.000000       17.91333 
1 1 1 -24 8  27 o 38.67091 16.69495 79.90594       201.2632 0.000000       0.000000 79.90594       201.2632 ?        ?        38.67091 16.69495 0.000000       16.69495 
1 1 1 -24 8  28 o 53.74023 16.02279 325.5327       158.1280 439.0946       257.7914 257.0304       200.2188 57.48998 20.63902 47.42869 17.97707 10.06129       27.37050 
1 1 1 -24 8  29 o 38.82125 15.49561 147.7960       154.9088 -192.8994      275.2922 305.6590       187.3919 32.83925 15.90693 49.66051 17.62114 -16.82126      23.73889 
1 1 1 -24 8  30 o 49.17312 14.89408 281.6648       135.8438 395.6988       246.3693 231.8514       162.8330 51.78952 19.86691 43.89391 16.30003 7.895607       25.69796 
1 1 1 -24 8  31 o 20.23841 10.07937 -273.3430      138.4074 -481.7440      222.5461 -141.8898      176.7485 23.83386 11.99835 26.77049 12.91294 -2.936634      17.62681 
1 1 1 -24 8  32 o 43.65751 15.30560 244.3684       141.0267 -108.4144      213.9451 515.4366       187.5375 29.36370 14.17472 61.82668 17.15763 -32.46297      22.25549 
1 1 1 -24 9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 9  3  f 247.0354 6.662385 5283.773       281.0547 5423.229       371.8835 5098.026       429.1903 249.0314 8.744820 240.2292 10.46218 8.802261       13.63558 
1 1 1 -24 9  4  o 236.5412 6.698743 4841.864       270.5839 4796.065       344.2746 4915.869       437.6360 234.4091 8.600598 235.7905 10.86888 -1.381424      13.86012 
1 1 1 -24 9  5  o 85.99861 9.674058 655.7984       139.6036 655.7984       139.6036 0.000000       0.000000 85.99861 9.674058 ?        ?        0.000000       9.674058 
1 1 1 -24 9  6  o 91.30813 8.648541 732.5223       133.2436 732.5223       133.2436 0.000000       0.000000 91.30813 8.648541 ?        ?        0.000000       8.648541 
1 1 1 -24 9  7  f 68.09797 9.084136 411.2751       103.0035 411.2751       103.0035 0.000000       0.000000 68.09797 9.084136 ?        ?        0.000000       9.084136 
1 1 1 -24 9  8  o 190.8017 7.708826 3156.769       251.1727 3156.769       251.1727 0.000000       0.000000 190.8017 7.708826 ?        ?        0.000000       7.708826 
1 1 1 -24 9  9  o 42.01741 13.26826 156.8347       106.4927 156.8347       106.4927 0.000000       0.000000 42.01741 13.26826 ?        ?        0.000000       13.26826 
1 1 1 -24 9  10 o 81.89919 9.499830 593.4755       130.3934 593.4755       130.3934 0.000000       0.000000 81.89919 9.499830 ?        ?        0.000000       9.499830 
1 1 1 -24 9  11 o 157.9211 6.693686 2154.803       180.5126 1996.157       204.7626 2708.103       382.3985 151.4346 7.945892 173.8161 12.97678 -22.38156      15.21625 
1 1 1 -24 9  12 o 134.8002 7.646707 1581.129       175.2971 1830.458       202.2572 828.4304       351.4217 144.8681 8.209533 90.66651 22.73816 54.20164       24.17478 
1 1 1 -24 9  13 o 72.17910 10.06115 465.5428       120.6392 386.0282       130.9474 911.7675       310.2060 64.91985 12.26123 96.98053 19.40854 -32.06068      22.95712 
1 1 1 -24 9  14 o 89.00064 8.660810 697.4998       129.9621 615.4155       143.7661 1064.417       303.9561 82.99782 10.36979 105.9500 17.40447 -22.95213      20.25952 
1 1 1 -24 9  15 o 93.41266 19.99397 862.6620       309.3082 0.000000       0.000000 862.6620       309.3082 ?        ?        93.41266 19.99397 0.000000       19.99397 
1 1 1 -24 9  16 o 157.5132 7.301641 2156.894       196.3990 2429.037       237.9337 1575.002       347.9193 166.4818 8.396317 129.5087 16.07762 36.97311       18.13803 
1 1 1 -24 9  17 f 54.19710 13.01273 276.2805       118.9122 270.9638       131.3444 300.4441       280.0080 53.41505 14.16739 57.57419 21.37588 -4.159138      25.64456 
1 1 1 -24 9  18 o 41.06277 15.10816 136.0014       139.2968 78.45720       164.8297 279.7917       260.5550 38.78136 15.80222 55.44995 20.61350 -16.66859      25.97358 
1 1 1 -24 9  19 o 57.74237 18.14769 332.6837       199.4424 332.6837       199.4424 0.000000       0.000000 57.74237 18.14769 ?        ?        0.000000       18.14769 
1 1 1 -24 9  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 9  22 o 36.61751 15.05646 72.45083       151.3468 20.65149       208.5886 130.0389       219.9352 38.20922 16.73824 44.09944 18.14363 -5.890224      24.68522 
1 1 1 -24 9  23 o 50.60290 15.80207 259.9723       151.4901 157.0959       218.7560 354.7702       209.9915 44.93944 18.24548 57.42521 18.68234 -12.48577      26.11374 
1 1 1 -24 9  24 o 40.08418 15.79926 128.5890       159.1727 178.0260       228.6506 82.10446       221.7178 45.87184 18.64252 40.90334 17.59068 4.968506       25.63153 
1 1 1 -24 9  25 o 31.47999 14.39210 -50.23629      173.0810 -153.0995      236.7794 67.79414       253.6360 33.21159 15.72020 41.39342 18.28334 -8.181835      24.11235 
1 1 1 -24 9  26 o 26.84213 12.87722 -172.5064      170.3112 -99.31561      240.2246 -246.4722      241.4931 34.49050 16.17155 30.87663 14.94223 3.613867       22.01793 
1 1 1 -24 9  27 o 89.63820 14.73662 849.4100       217.7349 0.000000       0.000000 849.4100       217.7349 ?        ?        89.63820 14.73662 0.000000       14.73662 
1 1 1 -24 9  28 o 33.43441 15.10247 16.82280       183.6406 0.000000       0.000000 16.82280       183.6406 ?        ?        33.43441 15.10247 0.000000       15.10247 
1 1 1 -24 9  29 o 60.65471 13.72029 403.1678       138.7867 580.6848       248.7672 322.9468       167.2311 63.46025 20.30481 50.93447 16.67700 12.52578       26.27561 
1 1 1 -24 9  30 o 49.09435 16.04763 300.8150       154.8711 81.81236       256.9734 425.7320       194.0771 37.59668 17.31624 56.17780 17.93027 -18.58111      24.92683 
1 1 1 -24 9  31 o 34.68673 14.02672 124.2095       128.7347 22.87262       236.2908 166.9856       153.5195 34.01249 15.97653 37.87663 15.31725 -3.864140      22.13295 
1 1 1 -24 10 1  f 44.52100 12.64988 185.3686       100.6962 196.0051       114.6324 149.4288       210.7157 45.73876 13.64347 45.97236 18.15971 -0.2336006     22.71386 
1 1 1 -24 10 2  o 141.7847 6.454285 1743.750       156.2714 1759.026       191.7297 1713.518       269.7242 141.6217 7.960172 137.7742 11.57154 3.847488       14.04510 
1 1 1 -24 10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 7  o 89.05215 8.619868 700.0438       129.4428 700.0438       129.4428 0.000000       0.000000 89.05215 8.619868 ?        ?        0.000000       8.619868 
1 1 1 -24 10 8  o 101.1246 8.054235 897.3189       137.9327 897.3189       137.9327 0.000000       0.000000 101.1246 8.054235 ?        ?        0.000000       8.054235 
1 1 1 -24 10 9  o 69.25393 10.63140 433.4801       121.7118 419.4419       130.5748 526.4850       336.0900 67.71840 11.71552 71.65997 23.65086 -3.941574      26.39349 
1 1 1 -24 10 10 o 44.47541 12.56094 182.9454       99.59551 248.4804       103.1803 -711.3303      381.1500 51.76952 11.91805 35.31726 17.43576 16.45226       21.11979 
1 1 1 -24 10 11 o 66.58481 11.51874 405.3040       126.2326 385.0484       134.2747 559.3668       370.3149 64.45413 12.65118 73.27711 24.83659 -8.822983      27.87308 
1 1 1 -24 10 12 o 132.3617 7.034646 1525.777       158.4326 1734.176       181.4543 857.2578       324.9946 140.9216 7.567984 91.84454 21.15732 49.07711       22.47013 
1 1 1 -24 10 13 o 281.0526 11.00447 7040.757       528.1519 0.000000       0.000000 7040.757       528.1519 ?        ?        281.0526 11.00447 0.000000       11.00447 
1 1 1 -24 10 14 o 24.35713 10.96775 -40.00251      95.97192 -43.01691      101.6679 -15.33966      290.8072 24.99931 11.26977 43.84153 19.46023 -18.84222      22.48796 
1 1 1 -24 10 15 o 24.65315 11.43775 -86.94868      115.1443 -22.65024      126.1147 -409.0392      282.2634 29.20156 12.89560 32.69298 15.89876 -3.491417      20.47112 
1 1 1 -24 10 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 10 19 o 57.27227 12.35878 311.8618       117.3248 489.6649       131.7372 -369.9686      257.9745 72.85448 10.92577 31.02016 15.11078 41.83432       18.64693 
1 1 1 -24 10 20 o 55.99281 13.13124 303.6052       123.3822 296.8549       146.9240 319.7537       227.2467 54.55162 15.20362 55.72137 19.43486 -1.169750      24.67517 
1 1 1 -24 10 21 o 56.07660 12.42099 303.5252       115.8092 318.2660       137.1432 266.8904       216.2030 56.57822 14.21305 51.59113 18.84635 4.987091       23.60499 
1 1 1 -24 10 22 o 47.55261 15.54971 227.2235       145.4044 -65.74796      179.2688 790.5895       248.5921 31.85124 14.59325 86.84421 17.36949 -54.99297      22.68616 
1 1 1 -24 10 23 f 66.71282 14.14791 448.3387       156.1794 401.0695       190.0939 546.5185       273.9619 60.68854 17.42601 67.37537 21.28195 -6.686825      27.50613 
1 1 1 -24 10 24 o 50.70762 15.17867 270.1402       141.6979 372.3315       189.4686 140.4425       213.4502 57.76705 17.61060 42.59371 17.73008 15.17334       24.98978 
1 1 1 -24 10 25 o 25.37250 11.97127 -105.3634      135.3237 -61.08017      187.3817 -153.6352      195.6385 31.78041 14.69011 29.52054 14.06338 2.259865       20.33662 
1 1 1 -24 10 26 o 80.30889 13.41406 664.4716       177.4722 393.5852       251.3199 933.9127       250.6486 54.66794 20.26030 91.46597 16.66122 -36.79803      26.23120 
1 1 1 -24 10 27 o 68.45811 13.41599 495.9975       151.2292 530.1628       231.4545 470.5464       199.7678 63.11094 19.50363 61.41909 17.93035 1.691849       26.49319 
1 1 1 -24 10 28 o 39.66467 14.78410 171.8702       134.1982 104.5828       238.6951 202.9687       162.2729 38.57887 17.34125 41.98956 16.11975 -3.410694      23.67625 
1 1 1 -24 10 29 o 31.76792 13.65109 64.53857       133.3379 352.1520       188.1334 -225.7495      189.0061 51.07341 17.69074 25.76838 12.63343 25.30503       21.73858 
1 1 1 -24 10 30 o 46.79821 14.21418 263.1006       123.5992 153.5087       197.2938 333.8976       158.5738 37.66587 16.39474 50.32601 16.22279 -12.66014      23.06440 
1 1 1 -24 11 1  o 121.6239 6.692242 1293.610       138.4581 1338.790       170.8700 1207.221       236.2773 123.0268 8.179865 114.3457 12.29351 8.681137       14.76620 
1 1 1 -24 11 2  o 92.69927 7.400971 756.4315       116.1800 818.3847       135.7675 586.9832       224.5343 96.05413 8.360471 76.48686 17.56157 19.56727       19.45010 
1 1 1 -24 11 3  o 50.23861 11.96934 237.4825       101.2233 253.5974       114.9271 181.7395       213.7489 51.63160 13.03340 47.72346 18.45228 3.908138       22.59107 
1 1 1 -24 11 4  o 62.11631 10.44801 352.7703       106.8918 440.5512       121.3399 48.60820       225.8686 69.52829 10.55111 41.59979 17.81850 27.92850       20.70808 
1 1 1 -24 11 5  o 118.2705 7.230493 1224.348       145.3299 1261.208       165.0003 1096.812       306.9174 119.6638 8.122685 105.8802 17.59218 13.78355       19.37686 
1 1 1 -24 11 6  o 26.82719 11.82391 -19.35835      105.5159 118.0575       116.4108 -652.1166      249.8008 38.21365 13.84889 26.02805 13.04930 12.18560       19.02830 
1 1 1 -24 11 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 11 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 11 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 11 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 11 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 11 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 11 15 o 26.95564 13.68997 -1105.459      331.4891 0.000000       0.000000 -1105.459      331.4891 ?        ?        26.95564 13.68997 0.000000       13.68997 
1 1 1 -24 11 16 o 84.60835 8.129567 636.7079       116.0119 698.6460       129.5808 386.5555       260.4137 88.41394 8.695037 60.75409 20.82641 27.65985       22.56863 
1 1 1 -24 11 17 o 74.52706 9.722454 505.1449       120.7871 492.6824       139.0603 543.4374       243.7576 72.68869 11.59243 71.48650 19.45010 1.202187       22.64268 
1 1 1 -24 11 18 o 82.62930 8.294993 611.3393       115.4649 572.4456       126.6409 802.9796       281.1112 79.34998 9.537019 86.84263 19.44036 -7.492645      21.65369 
1 1 1 -24 11 19 o 66.90588 10.45373 415.7709       115.5292 376.2148       135.5895 520.5757       220.7040 62.17118 13.18037 69.83462 18.28985 -7.663441      22.54420 
1 1 1 -24 11 20 o 48.48661 12.97741 231.2514       109.5742 198.2507       129.0789 316.3715       207.3052 44.92424 14.64888 54.47083 18.58223 -9.546585      23.66197 
1 1 1 -24 11 21 o 59.62555 10.72062 336.5650       105.1446 303.8610       115.1405 500.7627       257.9949 55.70313 12.42099 65.34177 20.65384 -9.638649      24.10108 
1 1 1 -24 11 22 o 77.32111 9.518582 553.3919       123.0279 485.8186       146.3796 715.9667       227.0490 70.38827 12.64275 82.06152 16.76873 -11.67326      21.00070 
1 1 1 -24 11 23 o 26.56377 11.81116 -12.32170      107.5686 30.91526       126.5459 -124.9279      204.2217 31.01274 13.31194 31.22978 14.72614 -0.2170372     19.85112 
1 1 1 -24 11 24 o 60.68800 10.91333 358.8839       108.9417 304.6447       121.1960 587.1401       248.6238 54.27487 13.20277 68.40087 20.01299 -14.12600      23.97568 
1 1 1 -24 11 25 o 85.39035 10.93433 713.0981       155.7799 705.6588       229.7537 719.4284       211.9356 77.31570 17.77367 80.34279 16.00949 -3.027084      23.92085 
1 1 1 -24 11 26 o 93.41032 9.755138 839.3745       153.3117 1053.745       240.0788 691.7573       199.2231 98.22881 14.76953 78.61899 15.39009 19.60983       21.33058 
1 1 1 -24 11 27 o 72.33286 11.72726 535.7892       139.8953 490.0472       236.3109 560.4694       173.5802 58.45652 19.84017 70.54311 14.87760 -12.08659      24.79870 
1 1 1 -24 11 28 o 24.79999 11.66504 -68.27322      126.6934 55.26453       233.2177 -119.9939      150.9016 35.81449 16.49579 25.27520 12.12437 10.53929       20.47221 
1 1 1 -24 11 29 o 40.97857 15.89318 214.5377       158.9505 380.0682       288.5970 142.4597       190.4381 46.39882 20.01152 36.97127 16.09979 9.427547       25.68393 
1 1 1 -24 12 1  o 139.5139 6.287357 1699.460       149.7916 1623.391       176.8789 1892.348       281.6603 135.4277 7.679936 143.0816 11.62822 -7.653915      13.93546 
1 1 1 -24 12 2  o 34.58155 11.98925 103.0967       86.41833 72.58662       92.65277 307.1920       239.6365 31.95800 12.20134 55.22510 19.89127 -23.26710      23.33528 
1 1 1 -24 12 3  o 112.1116 6.842984 1103.208       130.3808 1141.976       148.1531 970.0764       274.5446 113.6760 7.677019 98.66311 16.90317 15.01288       18.56485 
1 1 1 -24 12 4  o 57.20073 11.22746 305.8993       105.7537 343.6071       119.0933 165.2975       229.9680 60.38444 11.97238 46.95410 18.83153 13.43034       22.31512 
1 1 1 -24 12 5  o 138.2292 6.309614 1664.016       148.9376 1669.888       189.7590 1654.596       240.3575 137.3758 8.125046 135.1832 10.49422 2.192551       13.27197 
1 1 1 -24 12 6  o 55.60380 12.36353 293.3408       114.3563 325.3706       124.7831 125.3557       285.7684 58.41891 12.85699 47.87798 20.25804 10.54092       23.99355 
1 1 1 -24 12 7  o 126.0411 7.363960 1396.880       157.8092 1437.990       194.7114 1318.181       269.4046 126.9701 9.039267 118.4572 13.56249 8.512970       16.29876 
1 1 1 -24 12 8  o 75.17213 11.98291 526.1576       148.6583 492.7096       157.2130 808.6467       456.8822 72.04784 13.26692 80.81570 27.58630 -8.767853      30.61070 
1 1 1 -24 12 9  f 61.33361 26.84550 279.4454       535.5468 0.000000       0.000000 279.4454       535.5468 ?        ?        61.33361 26.84550 0.000000       26.84550 
1 1 1 -24 12 10 o 73.03239 8.603645 477.7864       105.2415 497.1549       112.6661 345.1929       294.7858 74.32954 9.063980 58.67357 21.90327 15.65598       23.70462 
1 1 1 -24 12 11 o 31.93306 11.86722 77.00711       86.34229 77.67885       89.30891 67.39697       337.8013 32.24516 12.05232 48.11411 21.18336 -15.86895      24.37198 
1 1 1 -24 12 12 o 22.66304 10.08136 -21.84701      78.45415 0.7210042      82.53490 -233.2880      252.6303 24.84496 10.70862 33.64981 16.01689 -8.804859      19.26695 
1 1 1 -24 12 13 o 60.82568 10.70551 343.2301       107.1370 328.6130       118.6833 407.5777       249.0154 58.83159 12.21317 61.81795 20.35571 -2.986359      23.73850 
1 1 1 -24 12 14 o 72.55957 9.374676 477.9881       113.4426 387.0632       122.9216 1000.251       294.5993 64.16136 11.64797 98.74435 18.13944 -34.58298      21.55724 
1 1 1 -24 12 15 f 54.84485 10.08398 279.1250       90.96278 285.4454       98.81736 244.0419       232.8145 55.14348 10.88032 50.85012 19.35857 4.293358       22.20666 
1 1 1 -24 12 16 o 60.68726 9.626016 338.8786       96.42769 353.6953       103.0506 234.5964       273.3879 61.80550 10.11377 51.12750 20.52289 10.67800       22.87963 
1 1 1 -24 12 17 o 31.10006 12.25864 62.66005       95.82878 121.9000       107.3561 -169.6077      212.5757 37.25808 13.32490 31.48091 14.89930 5.777176       19.98855 
1 1 1 -24 12 18 o 76.48749 8.772443 531.6941       112.5090 601.6299       131.3830 339.3786       217.8695 80.88931 9.705197 55.82120 19.04979 25.06811       21.37955 
1 1 1 -24 12 19 o 25.62637 11.21351 -4.027509      93.38457 -2.888432      105.9950 -7.978366      197.4034 27.22872 11.92984 35.39006 15.84886 -8.161339      19.83702 
1 1 1 -24 12 20 o 105.0892 7.387395 988.0817       131.7291 1051.730       155.9121 829.3033       246.2528 107.6125 8.554891 88.27279 16.95247 19.33971       18.98874 
1 1 1 -24 12 21 o 47.17490 11.86413 220.9331       95.48292 251.7013       102.5383 20.15313       261.9361 50.28737 12.08965 39.58360 17.94411 10.70377       21.63679 
1 1 1 -24 12 22 o 43.83030 12.97635 197.0327       103.9859 43.04253       120.2910 652.3708       206.8492 30.97247 13.12632 77.35646 16.17887 -46.38399      20.83401 
1 1 1 -24 12 23 o 48.68344 14.98316 261.2832       136.7570 388.2737       164.9017 -18.45877      244.7475 58.53653 16.02717 36.21619 16.75749 22.32034       23.18800 
1 1 1 -24 12 24 o 22.09459 10.63970 -134.1951      118.8160 -47.76038      154.4186 -259.6304      186.0225 28.79948 13.32042 25.42226 12.47774 3.377226       18.25178 
1 1 1 -24 12 25 o 56.06137 14.15429 348.0745       135.5269 426.8985       174.6710 228.8394       214.8293 59.58331 16.56698 44.00002 17.99723 15.58328       24.46151 
1 1 1 -24 12 26 o 43.93629 14.02729 218.4584       118.7746 445.4131       173.4434 18.03860       162.9891 60.47908 16.38653 31.52275 14.23447 28.95632       21.70573 
1 1 1 -24 12 27 o 31.64857 13.09245 82.04398       115.3589 206.8264       173.6973 -16.42951      154.3036 41.03194 16.39808 29.00357 13.37986 12.02837       21.16406 
1 1 1 -24 12 28 o 34.53691 13.55289 126.3509       116.6449 389.0376       178.4597 -69.57883      154.1244 52.83164 17.22437 26.68181 12.64489 26.14983       21.36755 
1 1 1 -24 13 1  o 31.95487 11.57170 85.13041       81.25224 99.40201       89.64271 19.42085       192.3503 33.96569 12.17305 36.31086 15.98586 -2.345165      20.09305 
1 1 1 -24 13 2  o 60.70093 10.73998 346.8353       107.2537 359.6755       119.5042 293.6638       243.1848 61.25358 11.85333 53.02338 19.87437 8.230202       23.14070 
1 1 1 -24 13 3  o 31.30177 12.34003 63.69383       97.11930 34.42205       105.7229 221.8986       245.7845 29.84941 12.45603 49.32296 19.57161 -19.47355      23.19916 
1 1 1 -24 13 4  o 82.52670 8.417734 612.6570       116.9684 544.0682       131.0629 881.0894       259.2809 76.80113 10.24910 92.75563 16.99555 -15.95450      19.84673 
1 1 1 -24 13 5  o 92.37164 7.485276 757.6469       117.0571 728.8252       139.1305 827.4843       216.5740 89.71424 9.212314 92.28936 14.19705 -2.575119      16.92403 
1 1 1 -24 13 6  o 49.41879 12.26913 235.2406       103.0613 184.4934       113.3654 476.9440       247.4092 43.80401 13.66830 65.87273 20.13284 -22.06872      24.33421 
1 1 1 -24 13 7  o 88.47038 7.934505 697.8543       118.5985 756.2936       141.2607 558.2740       218.3136 91.49824 9.163991 73.23051 17.66226 18.26772       19.89810 
1 1 1 -24 13 8  o 75.60643 10.66562 528.5585       133.8789 528.5585       133.8789 0.000000       0.000000 75.60643 10.66562 ?        ?        0.000000       10.66562 
1 1 1 -24 13 9  o 38.74216 13.28788 135.8920       106.0150 177.3460       115.0186 -98.22133      273.3367 43.10661 13.80808 38.45096 17.76254 4.655643       22.49824 
1 1 1 -24 13 10 f 74.81706 9.553720 510.6543       119.2738 646.7953       133.1637 -41.71016      268.2280 84.39748 9.399290 39.81362 18.09090 44.58386       20.38694 
1 1 1 -24 13 11 o 37.66635 11.83829 132.2898       84.86922 132.8912       88.42701 125.2636       302.2393 37.81699 12.10645 47.44353 20.47053 -9.626541      23.78253 
1 1 1 -24 13 12 o 70.63180 8.355616 449.7897       98.82854 528.3827       107.8184 36.58494       247.2200 76.61104 8.377930 41.11068 18.10998 35.50036       19.95397 
1 1 1 -24 13 13 o 119.9408 6.707057 1267.424       136.8224 1197.429       149.3177 1633.906       341.6690 116.0804 7.574206 127.6832 16.02290 -11.60280      17.72292 
1 1 1 -24 13 14 f 98.91287 6.845905 865.1809       114.9229 919.4736       130.8133 681.5482       240.5783 101.5839 7.595901 80.00803 18.03920 21.57592       19.57321 
1 1 1 -24 13 15 o 85.26492 7.505224 649.4369       108.1651 685.1879       117.8661 458.6815       272.2599 87.34320 7.990932 62.60696 21.29564 24.73624       22.74553 
1 1 1 -24 13 16 o 106.4253 6.485576 1000.308       117.3053 981.2592       135.7902 1056.335       232.8821 104.7321 7.645354 104.0371 13.42123 0.6949539      15.44606 
1 1 1 -24 13 17 o 50.12475 10.49738 240.0048       86.97401 269.7634       92.78334 24.44024       249.7199 53.17125 10.59065 39.71704 17.80341 13.45420       20.71529 
1 1 1 -24 13 18 o 58.19033 9.336285 316.3324       89.63719 372.3253       98.69382 52.56498       214.2071 63.16216 9.439807 38.43420 16.89632 24.72796       19.35447 
1 1 1 -24 13 19 o 60.03387 9.121612 336.7772       90.56993 318.0878       99.35263 428.6864       220.3236 57.54062 10.49803 59.84042 19.10479 -2.299793      21.79912 
1 1 1 -24 13 20 o 65.88859 8.863029 404.9682       97.19334 421.2901       104.7287 303.6343       260.9504 66.85944 9.435024 50.36974 20.10970 16.48970       22.21305 
1 1 1 -24 13 21 o 97.33215 6.899120 854.2944       113.9276 938.7350       132.1866 610.4033       224.6516 101.4067 7.690674 71.23405 18.35406 30.17266       19.90021 
1 1 1 -24 13 22 o 108.2372 8.217851 1084.092       150.7587 1212.174       182.9980 813.5471       265.9625 112.9540 9.577523 80.16389 19.59377 32.79009       21.80928 
1 1 1 -24 13 23 o 30.04117 12.74138 48.02324       113.4780 -67.29816      142.6803 246.5448       187.2031 26.87710 12.55717 45.38742 17.33990 -18.51033      21.40921 
1 1 1 -24 13 24 o 68.96587 10.35503 470.1398       118.1848 627.8258       161.2351 287.0423       173.7418 77.45204 12.62560 47.87680 16.96947 29.57524       21.15109 
1 1 1 -24 13 25 o 56.97491 13.06390 355.7790       124.3927 469.6880       159.1436 176.8940       199.4330 63.59425 14.91290 39.91318 16.90768 23.68107       22.54471 
1 1 1 -24 13 26 o 52.28699 12.91232 305.6578       114.6078 411.8690       160.8508 196.1371       163.3376 57.24346 15.89156 40.03296 15.93286 17.21051       22.50329 
1 1 1 -24 14 1  o 108.7821 6.831306 1052.083       126.2561 1073.547       156.0107 1011.346       214.9314 108.7530 8.467357 102.0108 12.60645 6.742271       15.18614 
1 1 1 -24 14 2  o 83.78941 8.074909 635.4798       114.1087 787.2032       136.4995 283.4132       207.9300 92.91454 8.704358 51.08290 18.50937 41.83165       20.45391 
1 1 1 -24 14 3  f 49.93793 13.06472 250.2049       112.6927 253.9118       134.5130 241.4775       206.3960 49.56300 14.77816 48.39732 18.27431 1.165688       23.50201 
1 1 1 -24 14 4  o 27.03384 11.48940 19.01005       92.59156 32.46973       103.4612 -35.13873      207.5173 29.18159 12.25956 34.88164 15.87397 -5.700048      20.05691 
1 1 1 -24 14 5  o 94.17390 7.352187 792.8492       117.2986 781.4305       141.2636 818.2041       210.5001 92.42984 9.066576 90.65870 14.05167 1.771141       16.72281 
1 1 1 -24 14 6  o 99.69420 17.65611 1060.004       289.5829 0.000000       0.000000 1060.004       289.5829 ?        ?        99.69420 17.65611 0.000000       17.65611 
1 1 1 -24 14 7  o 47.97260 11.79131 224.4662       95.91135 200.0750       111.3979 294.3537       188.5648 44.83555 13.46677 52.38257 17.72313 -7.547016      22.25901 
1 1 1 -24 14 8  o 87.39470 8.472967 692.1818       124.8626 679.4855       151.4027 719.1788       220.7761 85.21210 10.63635 83.33161 16.09730 1.880493       19.29391 
1 1 1 -24 14 9  o 36.18211 12.32384 120.6507       91.18008 154.5393       104.1891 9.795943       188.4398 40.07864 13.16546 35.43451 15.69983 4.644135       20.48936 
1 1 1 -24 14 10 o 35.65623 12.68826 113.4257       97.22647 123.1146       106.3424 64.07064       240.0127 36.99625 13.25860 40.90544 17.93621 -3.909187      22.30466 
1 1 1 -24 14 11 o 75.87860 9.637307 532.9948       122.0590 634.6003       131.5341 -96.99352      327.5262 82.99194 9.449615 40.40256 18.92413 42.58937       21.15226 
1 1 1 -24 14 12 o 38.32938 11.65722 141.6705       83.09102 144.5551       87.46854 114.9965       265.9829 38.68644 11.99535 43.91274 19.07472 -5.226299      22.53294 
1 1 1 -24 14 13 o 89.04382 7.956336 716.4800       119.7073 739.6981       133.2174 619.1117       272.8079 89.95278 8.784623 71.40868 20.98397 18.54410       22.74855 
1 1 1 -24 14 14 o 97.62348 7.710070 859.0172       127.4869 827.2191       138.9087 1028.870       321.0438 95.15549 8.642838 93.37603 20.67918 1.779457       22.41266 
1 1 1 -24 14 15 o 39.79658 11.27377 155.2757       80.10310 175.3236       87.36111 49.44077       200.7232 42.08185 11.72189 37.30098 16.37800 4.780872       20.14054 
1 1 1 -24 14 16 o 100.3588 6.571011 898.1375       111.9915 920.4450       130.2578 834.9095       219.2970 100.8753 7.617826 89.52649 14.86572 11.34885       16.70392 
1 1 1 -24 14 17 o 76.70454 8.596904 544.3438       110.6698 534.7767       121.2229 592.2260       271.1939 75.29133 9.650511 67.09233 21.17220 8.198997       23.26788 
1 1 1 -24 14 18 o 92.75182 7.301277 779.6630       114.7090 740.5419       133.1402 892.3477       225.9626 89.18848 8.858972 91.59039 14.96409 -2.401909      17.38980 
1 1 1 -24 14 19 o 28.96071 11.55264 59.11871       86.05492 16.57586       95.03333 252.8896       202.8182 26.53234 11.46324 46.61858 17.98851 -20.08624      21.33055 
1 1 1 -24 14 20 o 50.33239 12.70501 265.6796       109.2114 248.7740       121.9352 334.2381       245.5528 47.75636 14.02758 50.40327 19.69651 -2.646908      24.18110 
1 1 1 -24 14 21 f 50.24869 13.37423 272.5751       116.7860 411.7661       145.5841 21.32050       195.5985 61.40598 14.17139 34.18520 15.50074 27.22078       21.00241 
1 1 1 -24 14 22 o 29.73502 12.49139 53.90608       107.4017 -28.06297      136.6161 186.5400       173.7817 27.68959 12.70597 40.95604 16.38989 -13.26644      20.73814 
1 1 1 -24 14 23 o 25.88538 11.53160 3.441031       103.0456 -77.78132      137.0406 109.1113       156.3104 25.48403 12.03094 35.37718 14.97637 -9.893152      19.21029 
1 1 1 -24 14 24 o 32.72224 13.52529 93.45705       122.9644 179.9682       160.5858 -29.16452      191.1853 39.24076 15.73697 30.81401 14.44106 8.426758       21.35876 
1 1 1 -24 15 1  o 25.16692 11.47959 -39.32430      109.3269 -29.49232      125.3471 -70.58235      223.4986 27.41491 12.42177 33.91865 15.80304 -6.503742      20.10066 
1 1 1 -24 15 2  f 41.94475 13.31539 179.2210       107.1416 215.5484       110.9910 -317.4216      410.3862 45.68514 13.37304 38.53002 18.83189 7.155117       23.09715 
1 1 1 -24 15 3  o 84.68626 7.731051 650.6327       110.5703 610.7227       133.7160 736.9283       196.6242 80.53500 9.933447 84.91013 14.05196 -4.375130      17.20846 
1 1 1 -24 15 4  o 42.09820 19.35081 24.07878       318.7326 0.000000       0.000000 24.07878       318.7326 ?        ?        42.09820 19.35081 0.000000       19.35081 
1 1 1 -24 15 5  o 63.44000 10.13197 381.4651       106.0705 414.2684       121.9658 279.6443       214.8806 65.38907 11.33341 50.08798 18.70008 15.30109       21.86640 
1 1 1 -24 15 6  o 71.31856 8.993991 470.9888       107.1002 522.8254       123.4913 313.6750       215.1302 74.56923 9.945786 52.27880 18.84482 22.29043       21.30835 
1 1 1 -24 15 7  o 57.58284 10.99665 321.0522       104.1887 427.9441       133.8086 156.4525       166.0452 65.73086 12.37508 41.32659 16.18372 24.40427       20.37291 
1 1 1 -24 15 8  o 45.94937 11.77148 209.9356       92.77965 204.7419       107.9058 224.6634       181.7084 44.81130 13.20546 46.21426 17.20755 -1.402962      21.69065 
1 1 1 -24 15 9  o 26.48331 11.22370 21.99877       87.94569 2.046533       98.19475 102.8891       197.7155 26.29171 11.50182 39.47238 16.78284 -13.18067      20.34590 
1 1 1 -24 15 10 o 44.44215 12.64768 200.2702       100.5781 170.8922       105.9864 466.2894       318.9302 41.16359 13.26212 58.59121 22.57172 -17.42762      26.17950 
1 1 1 -24 15 11 o 63.63266 11.10278 393.3954       116.2579 393.3954       116.2579 0.000000       0.000000 63.63266 11.10278 ?        ?        0.000000       11.10278 
1 1 1 -24 15 12 o 21.33552 10.20583 -116.0722      105.2618 -75.74176      112.1473 -414.5879      305.1094 23.81952 11.13004 31.65911 15.62417 -7.839582      19.18313 
1 1 1 -24 15 13 o 34.98083 11.53185 117.9796       79.91078 146.2727       84.58813 -116.8372      243.6877 38.35809 11.78016 33.77968 15.97664 4.578407       19.85007 
1 1 1 -24 15 14 o 23.88385 10.21037 12.58271       73.90587 -17.14314      77.92974 278.3334       233.0093 22.29642 9.973466 48.77930 19.15091 -26.48287      21.59230 
1 1 1 -24 15 15 o 48.35862 11.66893 235.8874       95.25661 231.7924       106.0175 253.0431       216.9975 47.25602 12.81459 47.05699 18.47913 0.1990242      22.48760 
1 1 1 -24 15 16 o 42.58714 11.21088 182.4035       82.64658 169.3823       87.37544 293.0255       254.6731 40.80170 11.84302 48.87062 19.74056 -8.068924      23.02057 
1 1 1 -24 15 17 o 31.84276 12.03835 88.36335       89.63802 60.48684       96.24459 270.7563       246.1847 29.83363 12.10578 47.32422 19.30096 -17.49059      22.78326 
1 1 1 -24 15 18 o 77.97980 7.516560 558.8995       98.85329 677.5001       111.9525 139.1972       210.6013 85.73833 7.729504 39.93360 17.15799 45.80473       18.81866 
1 1 1 -24 15 19 o 62.00473 9.446854 371.6554       96.86523 376.6988       110.7505 355.2404       199.8048 61.22077 10.99788 51.98790 18.21853 9.232876       21.28070 
1 1 1 -24 15 20 o 20.15168 9.390268 -49.72688      78.95999 -29.69792      87.43346 -138.2944      183.8595 22.36831 10.22746 27.66422 13.29996 -5.295910      16.77766 
1 1 1 -24 15 21 o 37.39898 12.05854 149.1845       87.60938 157.3415       97.85200 116.2261       196.6926 38.06784 12.76773 36.99737 16.22948 1.070465       20.64972 
1 1 1 -24 16 5  o 34.76615 12.16233 115.8321       89.02729 92.16605       106.1062 172.1154       163.6319 33.28037 12.96353 41.35466 16.10136 -8.074284      20.67141 
1 1 1 -24 16 6  o 50.22703 11.23148 251.8409       93.91741 224.6161       111.3825 318.8134       174.6960 46.15057 13.36442 52.13891 17.04388 -5.988335      21.65875 
1 1 1 -24 16 7  o 26.12372 11.18264 19.54226       88.86186 48.29949       100.0459 -87.93832      193.4152 29.34171 12.16978 30.82325 14.47079 -1.481531      18.90787 
1 1 1 -24 16 8  o 73.38180 9.080196 506.1446       111.3563 463.9019       141.6632 574.4549       180.1458 67.35198 12.78462 72.97987 14.95757 -5.627892      19.67677 
1 1 1 -24 16 9  o 48.48071 11.61178 237.4363       94.86510 244.3040       108.4627 215.0817       195.6850 48.38425 12.89398 44.49438 17.52413 3.889866       21.75661 
1 1 1 -24 16 10 o 28.99014 12.12701 43.45873       100.5582 140.1052       118.2620 -208.8130      191.0673 37.76583 13.91691 27.22779 13.20387 10.53804       19.18392 
1 1 1 -24 16 11 o 72.04123 9.267670 491.2138       111.3690 485.4251       120.1016 526.7336       297.5041 70.89741 10.21494 59.73462 22.06219 11.16279       24.31224 
1 1 1 -24 16 12 f 35.15913 13.31997 114.7552       109.8851 138.4831       119.5021 -15.12109      279.5833 37.48917 13.95548 37.60606 17.57251 -0.1168900     22.43989 
1 1 1 -24 16 13 o 31.03034 12.28219 75.66953       96.57065 75.66953       96.57065 0.000000       0.000000 31.03034 12.28219 ?        ?        0.000000       12.28219 
1 1 1 -24 16 14 o 60.98429 10.21389 364.1863       102.6066 315.6322       111.5408 631.3669       261.6517 55.23306 12.15551 67.22838 20.73046 -11.99532      24.03140 
1 1 1 -24 16 15 o 72.61042 8.008482 491.5535       97.64842 467.3818       105.5136 635.7943       257.7500 70.00924 9.036683 67.20116 20.55101 2.808083       22.45007 
1 1 1 -24 16 16 o 47.23796 10.68763 225.8780       84.19901 216.1055       89.63113 299.2490       245.5946 45.62727 11.50579 47.08381 19.24888 -1.456547      22.42549 
1 1 1 -24 16 17 o 45.81626 11.67469 220.1961       91.60412 265.3961       103.7867 60.85621       194.8655 49.96281 12.25698 35.06144 15.72099 14.90137       19.93447 
1 1 1 -23 0  1  o 28.53479 19.89481 -310.1575      350.8451 -310.1575      350.8451 -310.1575      350.8451 28.53479 19.89481 28.53479 19.89481 0.000000       0.000000 
1 1 1 -23 0  2  o 91.41612 23.40860 861.8237       315.8871 861.8237       315.8871 861.8237       315.8871 91.41612 23.40860 91.41612 23.40860 0.000000       0.000000 
1 1 1 -23 0  3  o 141.3785 7.488284 1728.050       179.6288 1728.050       179.6288 1728.050       179.6288 141.3785 7.488284 141.3785 7.488284 -0.000000      0.000000 
1 1 1 -23 0  4  o 51.96207 16.38268 293.5049       127.7466 293.5049       127.7466 293.5049       127.7466 51.96207 16.38268 51.96207 16.38268 -0.000000      0.000000 
1 1 1 -23 0  5  o 236.3419 8.245373 4810.352       331.8583 4810.352       331.8583 4810.352       331.8583 236.3419 8.245373 236.3419 8.245373 -0.000000      0.000000 
1 1 1 -23 0  6  o 30.01682 17.27954 100.0119       142.0550 100.0119       142.0550 100.0119       142.0550 30.01682 17.27954 30.01682 17.27954 0.000000       0.000000 
1 1 1 -23 0  7  o 32.77565 18.95369 118.5896       172.1295 118.5896       172.1295 118.5896       172.1295 32.77565 18.95369 32.77565 18.95369 -0.000000      0.000000 
1 1 1 -23 0  8  o 286.5910 32.55291 7790.567       1540.078 7790.567       1540.078 7790.567       1540.078 286.5910 32.55291 286.5910 32.55291 -0.000000      0.000000 
1 1 1 -23 0  9  o 92.28626 26.99111 920.3879       369.4273 920.3879       369.4273 920.3879       369.4273 92.28626 26.99111 92.28626 26.99111 -0.000000      0.000000 
1 1 1 -23 0  10 o 42.34598 23.19294 225.5246       240.2371 225.5246       240.2371 225.5246       240.2371 42.34598 23.19294 42.34598 23.19294 0.000000       0.000000 
1 1 1 -23 0  11 o 209.3009 27.22434 4118.666       927.5588 4118.666       927.5588 4118.666       927.5588 209.3009 27.22434 209.3009 27.22434 0.000000       0.000000 
1 1 1 -23 0  12 o 20.47262 14.44634 -235.0009      202.2313 -235.0009      202.2313 -235.0009      202.2313 20.47262 14.44634 20.47262 14.44634 -0.000000      0.000000 
1 1 1 -23 0  13 o 87.44863 27.16858 846.8369       355.4241 846.8369       355.4241 846.8369       355.4241 87.44863 27.16858 87.44863 27.16858 -0.000000      0.000000 
1 1 1 -23 0  14 o 101.8082 28.72227 1118.014       432.3750 1118.014       432.3750 1118.014       432.3750 101.8082 28.72227 101.8082 28.72227 0.000000       0.000000 
1 1 1 -23 0  15 o 235.8025 28.96346 5281.001       1119.117 5281.001       1119.117 5281.001       1119.117 235.8025 28.96346 235.8025 28.96346 -0.000000      0.000000 
1 1 1 -23 0  16 o 335.0585 38.40618 11168.17       2122.700 11168.17       2122.700 11168.17       2122.700 335.0585 38.40618 335.0585 38.40618 0.000000       0.000000 
1 1 1 -23 0  17 o 154.1684 26.96478 2324.135       644.9118 2324.135       644.9118 2324.135       644.9118 154.1684 26.96478 154.1684 26.96478 0.000000       0.000000 
1 1 1 -23 0  18 o 53.59823 28.83796 387.7823       365.0624 387.7823       365.0624 387.7823       365.0624 53.59823 28.83796 53.59823 28.83796 -0.000000      0.000000 
1 1 1 -23 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  20 o 104.8503 24.37943 1125.004       379.6252 1125.004       379.6252 1125.004       379.6252 104.8503 24.37943 104.8503 24.37943 0.000000       0.000000 
1 1 1 -23 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  22 o 86.62325 22.61362 787.4564       289.0438 787.4564       289.0438 787.4564       289.0438 86.62325 22.61362 86.62325 22.61362 0.000000       0.000000 
1 1 1 -23 0  23 o 99.89669 22.04873 1008.341       328.9980 1008.341       328.9980 1008.341       328.9980 99.89669 22.04873 99.89669 22.04873 0.000000       0.000000 
1 1 1 -23 0  24 f 31.08952 20.56495 -37.90821      284.8418 -37.90821      284.8418 -37.90821      284.8418 31.08952 20.56495 31.08952 20.56495 -0.000000      0.000000 
1 1 1 -23 0  25 o 50.49845 25.66256 355.7202       277.0918 355.7202       277.0918 355.7202       277.0918 50.49845 25.66256 50.49845 25.66256 0.000000       0.000000 
1 1 1 -23 0  26 o 134.3132 15.49804 1667.965       343.1594 1667.965       343.1594 1667.965       343.1594 134.3132 15.49804 134.3132 15.49804 -0.000000      0.000000 
1 1 1 -23 0  27 o 23.78296 16.42424 -143.6304      224.6791 -143.6304      224.6791 -143.6304      224.6791 23.78296 16.42424 23.78296 16.42424 -0.000000      0.000000 
1 1 1 -23 0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  29 o 24.66544 16.97787 -123.0946      235.5015 -123.0946      235.5015 -123.0946      235.5015 24.66544 16.97787 24.66544 16.97787 0.000000       0.000000 
1 1 1 -23 0  30 o 104.3336 14.87560 1053.984       249.4405 1053.984       249.4405 1053.984       249.4405 104.3336 14.87560 104.3336 14.87560 -0.000000      0.000000 
1 1 1 -23 0  31 f 41.61779 22.96797 276.3965       237.6500 276.3965       237.6500 276.3965       237.6500 41.61779 22.96797 41.61779 22.96797 -0.000000      0.000000 
1 1 1 -23 0  32 o 20.63177 14.57941 -192.6849      208.4283 -192.6849      208.4283 -192.6849      208.4283 20.63177 14.57941 20.63177 14.57941 0.000000       0.000000 
1 1 1 -23 0  33 o 24.31284 16.42822 -23.75898      199.6372 -23.75898      199.6372 -23.75898      199.6372 24.31284 16.42822 24.31284 16.42822 -0.000000      0.000000 
1 1 1 -23 0  34 o 17.19285 12.16674 -141.0233      146.8816 -141.0233      146.8816 -141.0233      146.8816 17.19285 12.16674 17.19285 12.16674 -0.000000      0.000000 
1 1 1 -23 0  35 o 138.9256 9.172502 1781.873       215.4301 1781.873       215.4301 1781.873       215.4301 138.9256 9.172502 138.9256 9.172502 -0.000000      0.000000 
1 1 1 -23 0  36 o 39.39027 20.40552 281.8449       177.2344 281.8449       177.2344 281.8449       177.2344 39.39027 20.40552 39.39027 20.40552 0.000000       0.000000 
1 1 1 -23 1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 1  2  o 294.8603 15.41411 7711.081       773.4385 7594.312       1092.280 7828.506       1095.341 286.6927 22.49127 291.4006 22.17839 -4.707886      31.58699 
1 1 1 -23 1  3  o 37.87935 11.39634 126.1758       79.72881 173.0270       102.3965 54.03632       127.0608 44.02050 12.83315 34.85573 13.99123 9.164768       18.98537 
1 1 1 -23 1  4  o 185.7804 5.567895 2960.595       176.6416 2652.903       238.7511 3332.718       262.5609 175.4380 7.969292 196.6705 7.817879 -21.23247      11.16373 
1 1 1 -23 1  5  o 71.73380 7.870415 448.5501       94.82653 422.6993       117.1295 497.7229       161.5443 69.11582 10.23328 74.36728 13.20427 -5.251457      16.70547 
1 1 1 -23 1  6  o 153.0076 6.979879 2013.269       182.3739 1972.643       202.1121 2191.318       423.1177 151.1134 7.859387 156.5333 16.05626 -5.419861      17.87662 
1 1 1 -23 1  7  o 63.69732 11.87683 364.4056       124.4359 362.1216       145.5927 370.5960       239.6928 63.06009 13.89502 63.89108 19.86471 -0.8309822     24.24208 
1 1 1 -23 1  8  o 102.8935 9.161646 922.1354       159.2926 926.3172       194.3399 913.5740       278.0701 102.6151 11.27641 100.1553 16.85713 2.459755       20.28103 
1 1 1 -23 1  9  o 112.6323 16.50896 1147.688       308.1042 1246.297       439.9363 1052.767       431.6328 114.5772 23.27882 104.5712 24.58529 10.00604       33.85764 
1 1 1 -23 1  10 o 133.3521 15.62351 1593.043       349.0358 1697.721       506.4212 1498.324       481.7265 134.3450 22.89529 125.8534 23.27193 8.491615       32.64624 
1 1 1 -23 1  11 o 169.8305 16.19059 2582.151       463.8623 2607.215       656.5453 2557.170       655.4569 166.4190 23.77863 164.6419 24.02046 1.777115       33.79949 
1 1 1 -23 1  12 o 155.0742 15.99410 2155.996       417.4666 2204.303       598.6084 2110.255       582.4951 152.6958 23.72717 149.4104 23.61498 3.285370       33.47605 
1 1 1 -23 1  13 o 96.07132 17.19733 847.5180       271.7751 689.3632       379.6726 1013.710       389.2005 84.52629 24.73126 102.9676 22.74167 -18.44131      33.59790 
1 1 1 -23 1  14 o 38.64350 15.56327 67.57293       157.7871 -45.66925      215.3594 198.8107       231.8404 38.23196 16.86915 52.00448 19.42238 -13.77253      25.72541 
1 1 1 -23 1  15 o 267.4435 21.15140 6620.376       958.1089 6494.333       1348.949 6748.696       1361.074 253.0092 31.93294 258.4962 31.48404 -5.487015      44.84370 
1 1 1 -23 1  16 o 146.1622 16.15647 1931.585       396.5161 1723.929       548.1535 2159.504       574.2748 133.0418 25.04653 150.5764 23.06874 -17.53459      34.05136 
1 1 1 -23 1  17 o 76.15744 20.20121 553.3454       267.0311 555.4953       368.2078 550.9602       387.8341 76.21813 24.73589 76.16092 25.41924 0.5721283E-01  35.46833 
1 1 1 -23 1  18 o 105.2552 17.13141 1023.470       297.3296 910.0916       529.0773 1075.806       359.4616 93.93592 29.56349 106.3275 20.54078 -12.39161      35.99893 
1 1 1 -23 1  19 o 166.6419 17.05595 2540.376       478.5184 2679.880       755.8832 2447.077       618.1580 162.4681 28.27172 159.0265 23.46820 3.441620       36.74297 
1 1 1 -23 1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 1  22 o 70.95251 20.70061 487.7947       266.3389 0.000000       0.000000 487.7947       266.3389 ?        ?        70.95251 20.70061 0.000000       20.70061 
1 1 1 -23 1  23 o 87.93128 15.72505 720.3389       227.4550 710.4930       332.5742 728.9916       311.7724 84.13788 22.64668 85.81646 21.35926 -1.678581      31.13021 
1 1 1 -23 1  24 o 34.00931 16.01283 -219.5613      239.8242 -282.5863      362.1172 -170.3184      320.0843 42.06749 19.76590 41.90306 19.30943 0.1644325      27.63232 
1 1 1 -23 1  25 o 172.5352 8.839034 2613.504       259.5516 2929.083       355.0656 2251.358       380.3614 180.9552 11.55068 156.5975 14.38441 24.35774       18.44802 
1 1 1 -23 1  26 o 184.5108 8.057990 2981.228       253.8928 3036.177       398.3720 2943.640       329.4765 182.3385 12.87685 181.3649 10.68544 0.9736481      16.73296 
1 1 1 -23 1  27 o 138.8560 13.00041 1791.578       304.6765 0.000000       0.000000 1791.578       304.6765 ?        ?        138.8560 13.00041 0.000000       13.00041 
1 1 1 -23 1  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 1  29 o 89.39070 11.94767 754.6403       177.8164 605.5319       306.2415 830.4803       218.4049 71.30114 22.49856 91.97362 14.37644 -20.67248      26.69957 
1 1 1 -23 1  30 o 74.17548 20.80523 651.8981       274.2175 651.8981       274.2175 0.000000       0.000000 74.17548 20.80523 ?        ?        0.000000       20.80523 
1 1 1 -23 1  31 o 30.56772 13.70423 -13.52502      148.0231 51.23118       194.8817 -101.8286      227.5723 37.01397 16.19769 33.61939 15.75570 3.394581       22.59662 
1 1 1 -23 1  32 o 20.95262 10.33007 -235.9597      132.2324 -398.6507      170.8089 7.380445       208.8987 21.65907 10.84893 35.26797 16.00222 -13.60890      19.33314 
1 1 1 -23 1  33 o 63.08857 14.27877 437.6819       150.2445 411.1197       213.7387 463.6265       211.2390 55.42565 18.86856 59.41495 18.67722 -3.989304      26.54922 
1 1 1 -23 1  34 o 52.02044 13.66061 304.6630       122.9072 370.0620       196.9788 262.9685       157.2800 51.81582 18.09310 45.85591 16.15707 5.959908       24.25719 
1 1 1 -23 1  35 o 58.49639 13.35869 387.0751       130.5130 406.9544       183.5168 366.7313       185.6483 54.13880 17.45213 50.86376 17.57605 3.275040       24.76882 
1 1 1 -23 1  36 o 51.14359 14.05095 321.0968       126.4896 533.6593       177.0877 99.68880       180.7348 63.33698 16.28294 33.79451 15.14747 29.54247       22.23916 
1 1 1 -23 2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 2  2  o 52.02735 20.95109 137.0551       285.9102 99.11777       436.4875 165.5646       378.3847 59.22755 25.04715 58.56461 23.91180 0.6629410      34.62851 
1 1 1 -23 2  3  o 148.7611 5.611410 1898.633       142.5487 1686.302       184.4244 2213.747       224.6699 139.6806 7.762408 159.9804 8.251976 -20.29980      11.32917 
1 1 1 -23 2  4  o 75.26631 7.856838 493.3692       99.49496 501.0875       123.4771 479.0808       168.0034 75.45333 9.815511 72.68671 14.04339 2.766624       17.13362 
1 1 1 -23 2  5  o 85.30060 8.039676 632.7043       115.7281 586.0264       128.5492 832.3130       265.8295 81.79369 9.372547 95.44096 16.93045 -13.64728      19.35161 
1 1 1 -23 2  6  o 64.71549 9.750463 370.3925       104.4101 355.3417       119.4893 418.9897       214.7115 62.95230 11.54045 67.25159 18.23648 -4.299282      21.58127 
1 1 1 -23 2  7  o 57.11348 12.51490 295.6521       118.6866 197.8791       141.1143 532.0244       219.4117 47.71246 15.29565 75.84236 17.32134 -28.12990      23.10813 
1 1 1 -23 2  8  o 116.8809 8.082465 1183.413       160.3297 1116.120       183.2782 1402.783       330.9151 113.1620 9.574176 124.9355 15.86853 -11.77352      18.53308 
1 1 1 -23 2  9  o 25.23038 11.44823 -59.94048      106.9298 -83.20687      128.2450 -6.870733      193.6865 27.04886 12.37457 38.00615 16.39288 -10.95729      20.53915 
1 1 1 -23 2  10 o 209.1346 7.919985 3770.661       282.8474 3819.384       301.3986 3411.027       818.8591 210.3578 8.390362 188.9858 26.06717 21.37198       27.38422 
1 1 1 -23 2  11 o 58.46102 17.39563 311.1515       186.5234 316.5957       265.5921 305.8531       262.0121 60.84010 21.02250 60.05192 20.87292 0.7881851      29.62473 
1 1 1 -23 2  12 o 108.5443 16.30742 1069.215       292.9251 982.8560       425.6278 1146.926       403.7543 100.5083 24.92156 109.9349 22.27021 -9.426682      33.42225 
1 1 1 -23 2  13 o 113.0481 17.17155 1166.697       321.0668 1368.998       443.8964 944.7523       464.9489 120.1222 22.46586 97.65629 26.98405 22.46596       35.11202 
1 1 1 -23 2  14 o 42.13406 16.56244 100.3897       174.4807 106.7265       226.1756 91.07551       274.2100 46.36299 18.64694 48.92241 20.20755 -2.559418      27.49642 
1 1 1 -23 2  15 o 124.4297 18.09500 1422.950       373.2235 1381.315       515.2632 1468.906       541.3372 118.2794 26.20062 121.7210 26.77150 -3.441658      37.45913 
1 1 1 -23 2  16 o 73.16636 25.30276 491.9031       384.7920 0.000000       0.000000 491.9031       384.7920 ?        ?        73.16636 25.30276 0.000000       25.30276 
1 1 1 -23 2  17 o 63.19663 17.51083 373.1350       195.4963 440.0414       380.2768 349.1004       227.9212 70.23576 25.08274 61.60490 19.40638 8.630856       31.71358 
1 1 1 -23 2  18 o 195.0010 17.03076 3463.233       561.4268 3747.920       831.8060 3225.025       760.8810 195.7513 25.48821 181.6981 25.20102 14.05315       35.84327 
1 1 1 -23 2  19 o 186.0511 17.30348 3169.671       543.4523 3298.907       813.7234 3065.614       730.1639 181.5447 27.07567 176.9244 24.85284 4.620361       36.75263 
1 1 1 -23 2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 2  22 o 166.5721 11.31180 2454.113       319.8560 0.000000       0.000000 2454.113       319.8560 ?        ?        166.5721 11.31180 0.000000       11.31180 
1 1 1 -23 2  23 o 109.6069 16.26483 1116.356       295.1965 0.000000       0.000000 1116.356       295.1965 ?        ?        109.6069 16.26483 0.000000       16.26483 
1 1 1 -23 2  24 o 41.14111 17.47861 38.34854       214.1412 -245.5900      389.9075 160.9843       256.2466 44.70885 20.84457 50.02971 19.94217 -5.320862      28.84764 
1 1 1 -23 2  25 o 175.2935 8.493583 2688.401       254.2487 2485.010       422.8940 2803.532       318.1727 163.6174 15.31374 177.5827 10.53923 -13.96533      18.58994 
1 1 1 -23 2  26 o 47.19220 18.18255 173.8938       206.9745 0.000000       0.000000 173.8938       206.9745 ?        ?        47.19220 18.18255 0.000000       18.18255 
1 1 1 -23 2  27 o 67.32563 16.06364 450.9872       182.1061 148.4254       311.3696 608.2845       224.5070 49.93973 21.13907 77.61506 17.37211 -27.67533      27.36148 
1 1 1 -23 2  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 2  29 o 47.16556 17.13670 216.3818       178.4090 407.7456       276.8934 80.54240       233.2897 59.84626 21.40005 41.83017 18.01672 18.01609       27.97435 
1 1 1 -23 2  30 o 92.22076 12.36046 821.9966       189.7568 883.3188       277.4963 768.1368       260.0644 89.26428 18.79841 83.05368 18.77741 6.210602       26.57012 
1 1 1 -23 2  31 o 47.23962 19.26349 227.1757       245.1821 227.1757       245.1821 0.000000       0.000000 47.23962 19.26349 ?        ?        0.000000       19.26349 
1 1 1 -23 2  32 o 36.98899 14.25109 126.5109       127.1440 129.0246       158.4077 121.9591       213.1622 38.34691 15.54106 40.05121 17.23633 -1.704296      23.20809 
1 1 1 -23 2  33 o 29.88120 13.13748 27.08968       129.5273 -202.5717      175.3154 303.1368       192.2063 25.57158 12.45667 48.65238 17.77017 -23.08080      21.70133 
1 1 1 -23 2  34 o 37.13610 13.91462 148.6652       119.1842 53.79626       192.6462 207.4928       151.7011 34.21539 15.46059 41.65027 15.68031 -7.434887      22.02049 
1 1 1 -23 2  35 o 28.64255 12.69853 31.03082       123.4677 -170.2017      174.3091 233.6580       174.9120 25.41051 12.38756 41.91051 16.54834 -16.50001      20.67122 
1 1 1 -23 2  36 o 45.60050 13.52564 252.7652       112.8973 105.3026       172.1976 363.9391       149.5160 33.74928 14.97790 52.27986 15.57877 -18.53058      21.61100 
1 1 1 -23 3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 3  3  o 145.7409 17.65447 1925.109       430.4143 1810.865       644.6372 2017.009       578.1685 135.1912 28.80464 145.8226 24.05718 -10.63139      37.52939 
1 1 1 -23 3  4  o 185.5441 6.499470 2958.784       205.9335 3014.959       226.1541 2686.118       498.2518 187.1841 7.075116 172.7442 17.11580 14.43985       18.52047 
1 1 1 -23 3  5  o 40.91539 12.14143 148.4202       90.95676 142.7258       103.5810 167.6028       190.1123 40.77617 13.10798 47.78036 17.63843 -7.004192      21.97574 
1 1 1 -23 3  6  o 69.05115 8.695403 418.1157       100.2590 423.7865       113.5189 398.0067       213.7667 69.26753 9.876738 65.58294 18.36033 3.684593       20.84830 
1 1 1 -23 3  7  o 130.7473 7.059592 1475.025       157.0369 1411.659       173.7593 1757.513       366.8771 127.7072 8.008181 140.0979 15.60003 -12.39070      17.53545 
1 1 1 -23 3  8  o 166.2476 7.148624 2378.519       202.9456 2360.028       226.1371 2455.050       460.0628 165.4353 8.004636 165.3969 16.50934 0.3845215E-01  18.34754 
1 1 1 -23 3  9  o 36.65374 12.76477 106.2129       98.01246 97.61062       110.9084 136.8849       209.4251 36.83190 13.49167 47.03802 18.24301 -10.20612      22.68992 
1 1 1 -23 3  10 o 73.92441 12.05601 488.8198       146.9462 439.8700       176.9918 597.4187       263.6273 69.21502 15.37430 79.76319 19.51472 -10.54817      24.84338 
1 1 1 -23 3  11 o 111.5332 9.207765 1083.772       173.8040 1120.439       193.7890 932.9971       392.9642 113.1829 10.13370 98.36613 23.67893 14.81672       25.75624 
1 1 1 -23 3  12 o 133.8384 16.43921 1618.505       367.8200 1542.823       525.2921 1691.309       515.2067 126.1849 25.25897 133.2813 23.49510 -7.096413      34.49689 
1 1 1 -23 3  13 o 70.24884 20.25460 463.1104       256.3373 548.6853       339.0450 348.9203       391.6503 76.10683 23.61954 66.72703 25.17860 9.379799       34.52310 
1 1 1 -23 3  14 o 187.8177 26.81068 3436.737       835.4914 0.000000       0.000000 3436.737       835.4914 ?        ?        187.8177 26.81068 0.000000       26.81068 
1 1 1 -23 3  15 o 167.3808 26.45014 2740.934       730.9054 2740.934       730.9054 0.000000       0.000000 167.3808 26.45014 ?        ?        0.000000       26.45014 
1 1 1 -23 3  16 o 88.33859 16.03136 717.7919       232.9305 817.9512       410.2341 670.1374       282.9686 90.77347 25.44249 83.86654 20.03313 6.906929       32.38282 
1 1 1 -23 3  17 o 232.2444 19.29485 4978.429       758.2952 4889.948       1086.791 5062.370       1058.550 219.4914 29.76284 225.1869 28.14190 -5.695480      40.96087 
1 1 1 -23 3  18 o 120.6774 16.70760 1336.950       335.0675 1128.107       530.1359 1475.874       432.3814 104.1447 28.82818 124.4728 21.09525 -20.32810      35.72217 
1 1 1 -23 3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 3  21 o 34.68368 16.28847 -221.8287      245.3948 0.000000       0.000000 -221.8287      245.3948 ?        ?        34.68368 16.28847 0.000000       16.28847 
1 1 1 -23 3  22 o 123.8683 14.81926 1399.518       307.2414 0.000000       0.000000 1399.518       307.2414 ?        ?        123.8683 14.81926 0.000000       14.81926 
1 1 1 -23 3  23 o 138.4935 12.99757 1725.819       303.7965 0.000000       0.000000 1725.819       303.7965 ?        ?        138.4935 12.99757 0.000000       12.99757 
1 1 1 -23 3  24 o 59.36528 20.20805 330.4005       245.1627 0.000000       0.000000 330.4005       245.1627 ?        ?        59.36528 20.20805 0.000000       20.20805 
1 1 1 -23 3  25 o 54.71909 18.26986 282.5252       200.3518 -53.11269      303.8606 540.6719       266.4846 43.60716 19.58652 72.89220 20.53251 -29.28504      28.37633 
1 1 1 -23 3  26 o 57.23429 16.89049 323.4467       176.4202 380.4349       275.6958 283.9291       229.5791 61.28017 21.40475 54.65639 19.49226 6.623775       28.95015 
1 1 1 -23 3  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 3  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 3  29 o 85.18554 11.78778 688.4364       166.8794 702.3962       216.2567 667.8868       262.3809 82.90544 15.85289 77.10643 19.81854 5.799011       25.37890 
1 1 1 -23 3  30 o 60.47449 15.42437 385.2466       159.7905 520.6797       267.0461 309.7119       199.4328 65.13955 21.05817 52.82681 18.21901 12.31274       27.84562 
1 1 1 -23 3  31 o 69.36066 14.83496 506.5946       170.3949 767.7941       252.0850 286.8543       231.2148 81.69359 18.49974 50.03141 19.23347 31.66217       26.68645 
1 1 1 -23 3  32 o 29.81194 13.00958 24.33597       124.9368 198.3108       182.5565 -128.9356      171.3503 43.01767 16.93131 27.63165 13.16296 15.38602       21.44605 
1 1 1 -23 3  33 o 24.24558 11.49605 -93.18642      127.7021 -49.43155      174.3710 -143.8019      187.5438 29.82489 13.91673 27.93059 13.42916 1.894304       19.33953 
1 1 1 -23 3  34 o 89.22971 8.013996 750.1514       120.8105 800.6813       166.2933 693.6746       175.8070 88.38277 11.27492 79.63371 13.40429 8.749062       17.51567 
1 1 1 -23 3  35 o 28.16536 12.28888 39.63190       111.4343 65.86994       174.2198 21.46546       144.9662 32.84647 14.78507 29.43672 13.34635 3.409742       19.91791 
1 1 1 -23 4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 4  4  o 82.29712 21.50703 643.3975       305.6085 682.2728       473.6837 615.6770       399.9925 84.58711 28.08554 80.56727 25.74380 4.019844       38.09909 
1 1 1 -23 4  5  o 71.67794 8.360267 449.3846       100.4084 436.5473       112.2889 500.6018       224.2893 70.36733 9.594785 73.29275 18.04160 -2.925415      20.43426 
1 1 1 -23 4  6  o 181.5341 6.677626 2833.873       207.0056 2832.544       227.4478 2840.287       499.6078 181.3567 7.344229 177.8082 16.64794 3.548477       18.19592 
1 1 1 -23 4  7  o 44.99091 11.20609 183.1221       85.77276 249.9243       99.48063 -10.41025      169.3245 52.58143 11.40712 35.37443 15.29236 17.20700       19.07823 
1 1 1 -23 4  8  o 227.6861 7.326864 4464.767       284.8765 4483.096       313.0893 4376.594       686.6949 227.9520 8.043091 219.7758 18.46831 8.176132       20.14373 
1 1 1 -23 4  9  o 40.49957 12.27144 144.6928       92.20315 88.61826       106.1806 316.6116       185.9191 35.59563 13.17361 58.85087 17.33122 -23.25524      21.76959 
1 1 1 -23 4  10 o 93.52363 8.349667 761.2449       131.9475 790.9644       151.6447 668.6161       267.7191 95.09418 9.464106 84.48108 19.01617 10.61311       21.24109 
1 1 1 -23 4  11 o 159.6554 7.423458 2196.740       202.3913 2129.793       223.3423 2504.190       478.6199 156.7919 8.371806 166.4476 17.08090 -9.655685      19.02220 
1 1 1 -23 4  12 o 227.8544 7.927850 4481.309       308.4713 4567.999       325.8670 3733.772       956.9150 229.9286 8.299377 193.3586 29.94901 36.56998       31.07770 
1 1 1 -23 4  13 o 179.8841 7.773974 2792.734       238.8019 2800.615       252.6455 2726.669       731.4529 180.0246 8.218222 167.2124 26.49991 12.81216       27.74499 
1 1 1 -23 4  14 o 237.1130 16.72508 5069.326       672.8716 6300.036       977.8232 3962.390       927.3500 259.2858 22.30111 200.4622 27.84172 58.82352       35.67213 
1 1 1 -23 4  15 o 75.31827 16.39033 526.9390       204.8199 595.1607       370.1931 496.8420       245.8833 78.49773 24.73289 72.40668 19.46571 6.091057       31.47427 
1 1 1 -23 4  16 o 115.9334 14.51741 1211.980       281.1068 1476.076       433.8193 1020.833       369.0731 124.7463 21.11834 103.0391 21.66276 21.70721       30.25326 
1 1 1 -23 4  17 o 89.03146 26.69964 799.7168       438.1381 799.7168       438.1381 0.000000       0.000000 89.03146 26.69964 ?        ?        0.000000       26.69964 
1 1 1 -23 4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 4  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 4  21 o 97.37835 18.45623 899.6558       295.6743 0.000000       0.000000 899.6558       295.6743 ?        ?        97.37835 18.45623 0.000000       18.45623 
1 1 1 -23 4  22 o 129.8663 13.72889 1525.564       299.8464 0.000000       0.000000 1525.564       299.8464 ?        ?        129.8663 13.72889 0.000000       13.72889 
1 1 1 -23 4  23 o 62.88767 22.44324 364.0207       304.4041 0.000000       0.000000 364.0207       304.4041 ?        ?        62.88767 22.44324 0.000000       22.44324 
1 1 1 -23 4  24 o 110.7382 14.78189 1138.482       272.5515 0.000000       0.000000 1138.482       272.5515 ?        ?        110.7382 14.78189 0.000000       14.78189 
1 1 1 -23 4  25 o 124.0524 10.61221 1381.001       222.6449 1453.479       401.9918 1348.930       267.4048 120.1290 20.32067 121.0606 13.14623 -0.9316025     24.20234 
1 1 1 -23 4  26 o 176.7225 8.667478 2762.255       261.5691 2275.648       400.1674 3125.256       345.6261 154.2473 15.39804 185.8126 10.94083 -31.56535      18.88918 
1 1 1 -23 4  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 4  28 o 52.89560 17.99335 289.5989       194.3688 503.5128       285.4126 104.5875       265.4318 65.94561 21.79639 44.73799 19.24350 21.20762       29.07568 
1 1 1 -23 4  29 o 57.27325 15.77782 343.8427       159.2387 -170.1399      246.8169 710.3342       208.4167 33.76048 16.00020 83.62543 15.15254 -49.86496      22.03646 
1 1 1 -23 4  30 o 74.77515 14.17897 569.9412       174.4269 607.8858       257.1843 537.6207       237.3604 71.04639 20.22666 67.41320 19.50595 3.633194       28.09981 
1 1 1 -23 4  31 o 37.10062 14.83451 115.0129       142.2317 196.2423       241.0308 71.61617       176.1749 44.88997 18.77634 36.35934 15.65854 8.530624       24.44874 
1 1 1 -23 4  32 o 81.74614 9.798051 642.0537       134.0503 719.6851       203.0620 582.0919       178.4628 80.69193 15.29640 72.86411 14.84669 7.827820       21.31675 
1 1 1 -23 4  33 o 48.52137 14.74469 274.6154       132.9741 207.8502       183.4435 348.5412       193.0300 41.95218 16.82135 51.01662 17.90538 -9.064445      24.56747 
1 1 1 -23 4  34 o 72.98602 15.45330 632.0801       186.6042 632.0801       186.6042 0.000000       0.000000 72.98602 15.45330 ?        ?        0.000000       15.45330 
1 1 1 -23 4  35 o 21.82250 10.36499 -73.12682      104.6870 -16.84390      152.5658 -123.2062      143.9124 28.10156 13.08072 23.92454 11.56747 4.177017       17.46171 
1 1 1 -23 5  1  o 80.14970 7.537455 558.3685       101.9522 516.0909       112.7757 747.4489       238.4976 76.78438 8.757508 90.48659 16.02102 -13.70221      18.25834 
1 1 1 -23 5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  5  o 36.61723 18.02636 -775.2159      397.7487 -775.2159      397.7487 0.000000       0.000000 36.61723 18.02636 ?        ?        0.000000       18.02636 
1 1 1 -23 5  6  o 66.48168 17.00809 410.1915       193.8746 402.2589       378.0583 413.0220       225.8300 68.93301 24.96107 66.62006 18.94918 2.312950       31.33889 
1 1 1 -23 5  7  o 113.9650 6.797776 1121.442       131.6919 1124.800       144.8926 1105.490       315.7857 114.0026 7.484245 109.8856 17.40893 4.117050       18.94954 
1 1 1 -23 5  8  o 144.6797 6.477758 1799.961       160.0422 1839.009       176.4253 1618.522       380.2989 146.1422 7.069413 133.5081 17.07168 12.63414       18.47753 
1 1 1 -23 5  9  o 115.5167 6.931601 1152.761       136.1029 1144.173       149.1147 1195.626       333.1426 114.9407 7.640569 114.2067 17.65109 0.7339630      19.23381 
1 1 1 -23 5  10 o 99.57302 15.98343 903.1026       262.5835 670.9009       521.2713 982.0593       303.9663 84.12550 29.42978 103.1568 17.90479 -19.03135      34.44842 
1 1 1 -23 5  11 o 148.8968 7.221186 1910.513       183.6097 1872.033       203.0076 2083.493       430.4183 146.9959 8.118802 151.6108 16.91314 -4.614899      18.76084 
1 1 1 -23 5  12 o 150.6536 6.864096 1954.530       176.5894 1975.495       193.5247 1850.231       431.6555 151.3370 7.488406 142.0342 18.21664 9.302811       19.69575 
1 1 1 -23 5  13 o 140.4452 7.341300 1705.678       175.4571 1778.373       205.9353 1513.154       335.1364 143.1214 8.463681 129.4620 15.46536 13.65938       17.62984 
1 1 1 -23 5  14 o 146.7305 8.061997 1866.800       201.2318 1967.506       225.2204 1468.165       448.0919 150.4291 8.805859 124.1036 21.94657 26.32549       23.64731 
1 1 1 -23 5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  16 o 87.63466 26.71745 772.2524       436.0836 772.2524       436.0836 0.000000       0.000000 87.63466 26.71745 ?        ?        0.000000       26.71745 
1 1 1 -23 5  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  20 o 97.95707 21.90233 942.2962       357.1831 0.000000       0.000000 942.2962       357.1831 ?        ?        97.95707 21.90233 0.000000       21.90233 
1 1 1 -23 5  21 o 76.91999 20.62651 580.2083       276.5004 0.000000       0.000000 580.2083       276.5004 ?        ?        76.91999 20.62651 0.000000       20.62651 
1 1 1 -23 5  22 o 112.7400 15.50360 1174.347       290.5796 0.000000       0.000000 1174.347       290.5796 ?        ?        112.7400 15.50360 0.000000       15.50360 
1 1 1 -23 5  23 o 168.1732 11.27004 2522.300       321.7841 0.000000       0.000000 2522.300       321.7841 ?        ?        168.1732 11.27004 0.000000       11.27004 
1 1 1 -23 5  24 o 76.88593 18.89509 590.9824       246.3170 0.000000       0.000000 590.9824       246.3170 ?        ?        76.88593 18.89509 0.000000       18.89509 
1 1 1 -23 5  25 o 86.40234 16.81694 733.8988       239.1995 0.000000       0.000000 733.8988       239.1995 ?        ?        86.40234 16.81694 0.000000       16.81694 
1 1 1 -23 5  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 5  28 o 55.08907 17.80714 324.0325       190.9600 -39.64172      279.8687 640.8359       261.2120 39.96742 18.28312 75.45733 19.96291 -35.48991      27.07010 
1 1 1 -23 5  29 o 106.1061 8.922950 1027.885       160.1770 1051.004       228.9543 1005.721       224.1703 103.4538 13.26542 101.1467 13.30105 2.307182       18.78535 
1 1 1 -23 5  30 o 78.09876 10.75887 582.7864       139.6783 718.4138       195.5175 441.4134       199.6160 83.79925 14.16798 61.98621 17.87417 21.81303       22.80828 
1 1 1 -23 5  31 o 83.01974 12.02877 688.1628       165.5635 435.7539       253.4958 875.9258       218.6369 56.92966 20.46333 90.91533 14.57506 -33.98566      25.12330 
1 1 1 -23 5  32 o 34.60962 14.55613 91.35866       146.1176 287.2233       225.7049 -49.95416      191.7140 47.00355 18.72230 31.17186 14.56105 15.83170       23.71811 
1 1 1 -23 5  33 o 43.98382 13.70156 219.6206       113.9712 185.6580       164.3401 251.0906       158.1947 40.19188 15.98623 44.90960 16.16302 -4.717716      22.73329 
1 1 1 -23 5  34 o 30.15702 12.71113 67.30013       111.8173 53.02253       165.5046 79.29005       151.6669 32.21928 14.46453 32.84079 14.33254 -0.6215134     20.36281 
1 1 1 -23 5  35 o 51.35972 16.63342 373.4724       166.5560 373.4724       166.5560 0.000000       0.000000 51.35972 16.63342 ?        ?        0.000000       16.63342 
1 1 1 -23 6  1  o 83.41596 7.439932 604.4391       104.8666 617.0024       115.7598 546.9521       247.6223 84.14133 8.159035 76.23377 19.06945 7.907562       20.74159 
1 1 1 -23 6  2  o 106.6786 7.588342 986.0917       137.3360 986.0917       137.3360 0.000000       0.000000 106.6786 7.588342 ?        ?        0.000000       7.588342 
1 1 1 -23 6  3  o 58.96779 9.975960 309.7402       96.87225 309.7402       96.87225 0.000000       0.000000 58.96779 9.975960 ?        ?        0.000000       9.975960 
1 1 1 -23 6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  8  o 105.3142 26.43205 1100.885       474.6149 0.000000       0.000000 1100.885       474.6149 ?        ?        105.3142 26.43205 0.000000       26.43205 
1 1 1 -23 6  9  o 62.97035 20.81871 356.6926       260.3759 0.000000       0.000000 356.6926       260.3759 ?        ?        62.97035 20.81871 0.000000       20.81871 
1 1 1 -23 6  10 o 148.5270 19.55233 2041.502       483.8606 2219.479       684.4914 1863.742       684.0732 149.4413 27.84682 134.7878 30.43966 14.65353       41.25552 
1 1 1 -23 6  11 o 192.0366 15.42574 3306.507       501.5931 3047.736       909.0392 3419.782       601.4398 171.5888 32.20644 193.3857 18.43557 -21.79694      37.10963 
1 1 1 -23 6  12 o 151.2592 13.71424 2038.203       350.3867 2023.702       694.2208 2043.160       405.8768 140.6788 29.82360 150.3096 16.06133 -9.630844      33.87349 
1 1 1 -23 6  13 o 41.74516 20.12747 -568.2979      428.3383 -568.2979      428.3383 0.000000       0.000000 41.74516 20.12747 ?        ?        0.000000       20.12747 
1 1 1 -23 6  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  18 o 146.4232 12.28151 1905.045       304.2518 0.000000       0.000000 1905.045       304.2518 ?        ?        146.4232 12.28151 0.000000       12.28151 
1 1 1 -23 6  19 o 47.59744 20.12593 65.03251       281.7524 0.000000       0.000000 65.03251       281.7524 ?        ?        47.59744 20.12593 0.000000       20.12593 
1 1 1 -23 6  20 o 76.67500 21.43406 579.4853       291.5559 0.000000       0.000000 579.4853       291.5559 ?        ?        76.67500 21.43406 0.000000       21.43406 
1 1 1 -23 6  21 o 133.4553 13.53285 1611.031       304.1439 0.000000       0.000000 1611.031       304.1439 ?        ?        133.4553 13.53285 0.000000       13.53285 
1 1 1 -23 6  22 o 219.0299 11.49929 4276.561       428.6025 0.000000       0.000000 4276.561       428.6025 ?        ?        219.0299 11.49929 0.000000       11.49929 
1 1 1 -23 6  23 o 75.07988 19.29175 565.2667       248.6710 0.000000       0.000000 565.2667       248.6710 ?        ?        75.07988 19.29175 0.000000       19.29175 
1 1 1 -23 6  24 o 116.4418 13.16117 1255.411       257.1072 0.000000       0.000000 1255.411       257.1072 ?        ?        116.4418 13.16117 0.000000       13.16117 
1 1 1 -23 6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 6  27 o 46.31134 17.04143 203.2636       177.2351 221.4904       306.0968 194.0709       217.3822 51.01028 21.23267 46.93220 18.47462 4.078079       28.14495 
1 1 1 -23 6  28 o 71.15267 14.55974 512.7717       170.9470 406.0716       232.1295 639.2083       252.6879 59.50966 19.65622 75.00167 19.53514 -15.49201      27.71261 
1 1 1 -23 6  29 o 29.84682 13.81497 -72.97574      166.5468 -183.4388      245.5692 21.10925       226.6342 32.80000 15.66166 37.80598 16.95268 -5.005978      23.07988 
1 1 1 -23 6  30 o 54.30118 14.65298 316.9491       139.0202 263.8140       227.6829 348.5342       175.5418 48.16448 18.92397 55.07475 16.97953 -6.910275      25.42481 
1 1 1 -23 6  31 o 53.44697 14.12983 312.7081       130.9240 404.5083       233.7136 270.7253       158.0512 54.67179 19.64898 48.08703 16.22612 6.584766       25.48273 
1 1 1 -23 6  32 f 37.93546 14.49651 152.4873       130.8620 427.0550       238.5523 34.29594       156.5135 53.86365 19.77825 31.85765 14.20056 22.00599       24.34821 
1 1 1 -23 6  33 o 26.79733 12.21877 -13.51786      123.7151 -259.1824      221.0532 98.52333       149.2844 27.18877 13.39519 34.27409 14.57816 -7.085323      19.79783 
1 1 1 -23 6  34 o 41.19943 13.78881 204.7079       114.1265 297.5363       169.3629 127.4946       154.4628 45.89594 16.69336 35.03527 14.86272 10.86067       22.35103 
1 1 1 -23 7  1  o 60.07714 11.66006 326.2963       115.3080 305.9177       126.2004 429.2961       283.7214 57.82307 13.08602 67.88122 21.68077 -10.05814      25.32390 
1 1 1 -23 7  2  o 116.3658 6.410909 1168.282       126.9020 1145.401       144.9095 1243.562       262.8479 115.0155 7.417540 118.1399 13.25764 -3.124359      15.19161 
1 1 1 -23 7  3  o 136.8823 5.804378 1609.502       135.6766 1693.171       171.7106 1470.450       221.3620 139.9867 7.207500 129.6832 10.07487 10.30348       12.38754 
1 1 1 -23 7  4  f 90.65588 7.995845 715.0530       122.5154 715.0530       122.5154 0.000000       0.000000 90.65588 7.995845 ?        ?        0.000000       7.995845 
1 1 1 -23 7  5  o 98.41911 8.313426 842.8559       138.4136 842.8559       138.4136 0.000000       0.000000 98.41911 8.313426 ?        ?        0.000000       8.313426 
1 1 1 -23 7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  16 o 217.8775 7.607342 4104.908       283.0396 4845.524       370.7534 3070.290       438.2059 236.0319 9.198406 185.2349 13.95583 50.79692       16.71454 
1 1 1 -23 7  17 o 130.1047 9.298423 1481.412       205.2262 1587.207       276.0324 1350.650       306.8796 133.5309 12.24160 121.8170 15.07404 11.71381       19.41864 
1 1 1 -23 7  18 o 101.9162 18.99240 988.0744       318.3795 0.000000       0.000000 988.0744       318.3795 ?        ?        101.9162 18.99240 0.000000       18.99240 
1 1 1 -23 7  19 f 147.8904 9.754600 1920.792       244.9659 2322.649       319.2766 1345.664       381.9567 161.7656 11.63563 118.7506 19.51345 43.01505       22.71922 
1 1 1 -23 7  20 o 59.94078 17.67520 342.1656       193.2611 967.7026       279.4561 -231.2353      267.5569 101.4974 16.70469 36.12298 16.97840 65.37440       23.81833 
1 1 1 -23 7  21 o 74.95105 20.00455 560.0565       260.8159 0.000000       0.000000 560.0565       260.8159 ?        ?        74.95105 20.00455 0.000000       20.00455 
1 1 1 -23 7  22 o 77.61316 21.74636 625.0759       299.7531 0.000000       0.000000 625.0759       299.7531 ?        ?        77.61316 21.74636 0.000000       21.74636 
1 1 1 -23 7  23 o 73.80807 21.32595 575.7776       283.9018 0.000000       0.000000 575.7776       283.9018 ?        ?        73.80807 21.32595 0.000000       21.32595 
1 1 1 -23 7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  26 o 42.20233 17.80659 99.43829       219.7990 0.000000       0.000000 99.43829       219.7990 ?        ?        42.20233 17.80659 0.000000       17.80659 
1 1 1 -23 7  27 f 32.43073 14.53090 -19.20460      166.1599 258.0567       301.4038 -140.2596      199.1570 51.52296 21.22376 30.89711 14.56107 20.62586       25.73855 
1 1 1 -23 7  28 o 48.93364 16.29474 254.4174       159.4053 17.01823       273.1602 377.0096       196.2950 40.37133 18.31045 57.82198 17.97650 -17.45065      25.65984 
1 1 1 -23 7  29 o 40.34892 15.92541 148.3000       161.9314 65.65979       249.0631 208.8121       213.1251 40.07314 17.88438 45.33559 18.14775 -5.262447      25.47924 
1 1 1 -23 7  30 o 71.08050 11.76336 505.7232       137.7914 401.4129       236.7607 559.1501       169.4438 55.03816 19.77707 72.47701 14.19851 -17.43885      24.34606 
1 1 1 -23 7  31 f 117.4637 7.655389 1273.478       152.7189 1282.911       242.0591 1267.240       196.8405 110.4298 13.09099 113.9241 10.22698 -3.494263      16.61220 
1 1 1 -23 7  32 o 114.0171 8.043632 1219.600       155.6072 1388.877       267.5608 1133.082       191.2832 111.6031 14.37332 106.3692 10.67474 5.233894       17.90370 
1 1 1 -23 7  33 o 52.59398 13.88904 323.8038       126.5898 335.5085       228.8227 318.6416       151.9623 46.37066 18.71850 49.58961 15.87007 -3.218948      24.54061 
1 1 1 -23 7  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 8  1  o 78.90412 9.197692 548.7585       121.6054 566.5164       135.8538 477.1734       272.7648 79.91188 10.18710 70.40529 21.05590 9.506592       23.39077 
1 1 1 -23 8  2  o 194.1947 6.525709 3249.329       216.4049 3267.119       267.4752 3215.615       368.2117 194.2634 8.062885 191.1433 11.33125 3.120087       13.90710 
1 1 1 -23 8  3  o 220.4116 6.282681 4180.973       236.4729 4102.566       305.5379 4298.099       373.4336 217.7260 8.217748 222.2083 9.841273 -4.482239      12.82116 
1 1 1 -23 8  4  o 144.6460 5.971172 1798.701       147.4919 1852.425       180.5764 1691.025       255.6433 146.5605 7.215098 138.7615 10.87563 7.798996       13.05132 
1 1 1 -23 8  5  o 51.22868 11.04655 237.6787       93.79385 237.6787       93.79385 0.000000       0.000000 51.22868 11.04655 ?        ?        0.000000       11.04655 
1 1 1 -23 8  6  o 59.75982 10.07592 318.8434       99.16698 318.8434       99.16698 0.000000       0.000000 59.75982 10.07592 ?        ?        0.000000       10.07592 
1 1 1 -23 8  7  f 92.55700 7.737032 744.8757       121.1670 744.8757       121.1670 0.000000       0.000000 92.55700 7.737032 ?        ?        0.000000       7.737032 
1 1 1 -23 8  8  o 132.6879 7.706914 1525.458       173.8756 1525.458       173.8756 0.000000       0.000000 132.6879 7.706914 ?        ?        0.000000       7.706914 
1 1 1 -23 8  9  o 141.1703 7.710742 1726.258       185.1803 1726.258       185.1803 0.000000       0.000000 141.1703 7.710742 ?        ?        0.000000       7.710742 
1 1 1 -23 8  10 o 61.53951 11.68716 342.2617       118.3275 342.2617       118.3275 0.000000       0.000000 61.53951 11.68716 ?        ?        0.000000       11.68716 
1 1 1 -23 8  11 o 383.5799 11.51274 12898.69       754.1129 12898.69       754.1129 0.000000       0.000000 383.5799 11.51274 ?        ?        0.000000       11.51274 
1 1 1 -23 8  12 o 165.2949 7.109956 2357.301       200.6911 2604.312       242.5125 1820.552       357.4880 173.4465 8.187789 142.0922 14.95757 31.35435       17.05195 
1 1 1 -23 8  13 o 169.8810 7.053010 2490.345       204.6073 2706.308       238.3707 1885.849       398.8041 176.8591 7.892664 143.6852 16.55630 33.17386       18.34135 
1 1 1 -23 8  14 o 82.96330 9.388792 606.3462       130.6728 729.3533       147.7556 164.7470       279.9581 91.00661 9.655021 52.24109 20.83789 38.76553       22.96600 
1 1 1 -23 8  15 o 64.84618 11.66686 380.4818       124.4429 473.3929       140.6528 45.65282       267.0092 72.47828 11.76782 45.88390 19.50597 26.59438       22.78079 
1 1 1 -23 8  16 f 117.2946 17.04049 1275.862       331.3345 0.000000       0.000000 1275.862       331.3345 ?        ?        117.2946 17.04049 0.000000       17.04049 
1 1 1 -23 8  17 o 42.82338 15.92067 136.2898       155.4294 89.72717       172.5308 336.8528       358.0743 40.87265 16.33990 63.52108 24.04956 -22.64843      29.07531 
1 1 1 -23 8  18 o 57.40752 15.86287 310.4312       160.6759 254.2617       182.3943 505.0531       339.5135 52.92205 17.42098 71.58217 23.77803 -18.66011      29.47686 
1 1 1 -23 8  19 o 65.58187 14.30802 403.1172       155.7314 395.5160       192.0474 417.7135       266.1241 64.10229 17.19061 65.40790 21.00894 -1.305611      27.14576 
1 1 1 -23 8  20 o 79.12759 13.71293 581.5704       178.5796 805.5973       246.7823 335.3050       258.7412 92.06770 16.29275 59.57831 20.74031 32.48939       26.37450 
1 1 1 -23 8  21 o 94.04837 11.56090 803.8882       181.7618 818.2043       263.9619 790.9792       250.6541 91.54165 17.52404 90.37923 16.86089 1.162415       24.31834 
1 1 1 -23 8  22 o 67.59537 15.36467 444.9383       173.3343 307.7211       259.9680 554.7628       232.5763 56.63318 20.66937 73.87137 18.48241 -17.23819      27.72765 
1 1 1 -23 8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 8  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 8  25 o 50.33512 18.92932 247.0190       220.9631 0.000000       0.000000 247.0190       220.9631 ?        ?        50.33512 18.92932 0.000000       18.92932 
1 1 1 -23 8  26 f 63.28986 18.49312 443.3422       212.4196 0.000000       0.000000 443.3422       212.4196 ?        ?        63.28986 18.49312 0.000000       18.49312 
1 1 1 -23 8  27 o 45.98223 17.73330 208.5314       197.0203 0.000000       0.000000 208.5314       197.0203 ?        ?        45.98223 17.73330 0.000000       17.73330 
1 1 1 -23 8  28 o 66.96362 14.45398 467.6758       160.4387 340.8639       282.0288 528.3492       195.0801 52.94131 20.97844 69.16720 16.70451 -16.22588      26.81670 
1 1 1 -23 8  29 o 66.92587 12.19894 452.2439       134.2809 499.4597       224.5394 425.9562       167.5422 62.86183 19.17299 61.57279 15.84265 1.289036       24.87153 
1 1 1 -23 8  30 o 52.06397 14.29227 302.7972       130.9335 530.8063       232.6881 197.1519       158.3883 62.41283 19.59976 41.95293 15.96824 20.45990       25.28113 
1 1 1 -23 8  31 o 35.74740 14.08223 126.7588       126.3913 -54.13525      236.6402 198.9594       149.5018 33.11964 15.68791 41.36095 15.56724 -8.241310      22.10089 
1 1 1 -23 8  32 o 70.31450 13.13422 544.5656       151.9077 663.9475       247.5949 472.5006       192.3688 66.20325 20.12020 58.88657 17.69886 7.316673       26.79687 
1 1 1 -23 8  33 o 39.85891 15.02105 202.1432       139.2812 -44.69947      222.4281 361.3636       178.6402 31.02688 14.84010 49.77136 17.23869 -18.74447      22.74645 
1 1 1 -23 9  1  o 80.56406 8.851080 572.8920       119.7627 554.9890       134.3854 641.9885       264.0082 78.85741 10.21984 81.05418 19.34304 -2.196777      21.87689 
1 1 1 -23 9  2  o 230.4130 6.551241 4584.233       257.7700 4567.816       331.8769 4609.197       409.2458 229.1359 8.481682 229.0635 10.46228 0.7234192E-01  13.46842 
1 1 1 -23 9  3  o 175.1381 6.270245 2644.307       187.5284 2715.681       237.5308 2526.212       305.5391 177.0029 7.858461 169.3711 10.61761 7.631821       13.20943 
1 1 1 -23 9  4  o 210.4821 6.232274 3816.871       224.0080 3582.477       274.7013 4282.111       387.0127 203.3614 7.910250 221.2628 10.24271 -17.90141      12.94160 
1 1 1 -23 9  5  o 60.08343 9.335530 321.1975       92.67552 391.3459       110.9661 159.4438       168.5034 66.23663 10.13264 45.48011 16.63433 20.75652       19.47746 
1 1 1 -23 9  6  o 159.2590 7.331450 2190.921       199.3864 2190.921       199.3864 0.000000       0.000000 159.2590 7.331450 ?        ?        0.000000       7.331450 
1 1 1 -23 9  7  o 70.99552 8.797384 443.7543       104.3719 443.7543       104.3719 0.000000       0.000000 70.99552 8.797384 ?        ?        0.000000       8.797384 
1 1 1 -23 9  8  o 187.3862 7.833119 3037.009       250.6538 3037.009       250.6538 0.000000       0.000000 187.3862 7.833119 ?        ?        0.000000       7.833119 
1 1 1 -23 9  9  o 157.8757 7.647363 2154.634       206.1716 2154.634       206.1716 0.000000       0.000000 157.8757 7.647363 ?        ?        0.000000       7.647363 
1 1 1 -23 9  10 o 209.3981 8.112937 3796.984       290.1033 3796.984       290.1033 0.000000       0.000000 209.3981 8.112937 ?        ?        0.000000       8.112937 
1 1 1 -23 9  11 o 80.86779 9.021247 574.9921       122.4556 562.1621       130.3633 671.2250       357.0297 79.74993 9.777242 82.31415 23.95344 -2.564217      25.87203 
1 1 1 -23 9  12 o 146.3332 7.438835 1855.804       185.2754 2031.721       213.2315 1313.764       374.2939 152.8906 8.196978 118.0609 19.22718 34.82962       20.90155 
1 1 1 -23 9  13 o 82.90352 10.26553 609.6946       142.2229 543.5856       157.4773 902.1895       331.2430 77.57961 12.29703 96.57030 20.70781 -18.99068      24.08382 
1 1 1 -23 9  14 o 83.38307 9.039740 612.1563       126.6556 516.2927       139.0045 1080.913       307.3798 75.91497 11.04656 107.5703 17.32134 -31.65535      20.54399 
1 1 1 -23 9  15 o 87.12332 21.18921 748.6678       312.2146 0.000000       0.000000 748.6678       312.2146 ?        ?        87.12332 21.18921 0.000000       21.18921 
1 1 1 -23 9  16 o 114.3453 7.679480 1139.631       149.0818 1225.458       170.3806 859.2835       307.9332 118.3285 8.488372 93.90337 19.82544 24.42509       21.56619 
1 1 1 -23 9  17 o 45.13678 14.83014 181.4052       132.2003 200.0067       151.6680 122.5773       269.7186 47.43078 15.89562 48.79647 20.08617 -1.365688      25.61494 
1 1 1 -23 9  18 o 75.42374 12.29476 521.1744       152.8984 380.9873       187.8650 796.2224       263.1456 62.70874 17.08076 90.83008 17.60101 -28.12134      24.52647 
1 1 1 -23 9  19 o 49.44679 15.85199 228.1381       151.5659 147.8326       193.5396 355.4940       243.7288 45.16629 17.53178 60.27162 20.15066 -15.10533      26.70978 
1 1 1 -23 9  20 o 61.31663 13.41827 356.5968       136.5976 428.1868       167.1882 212.8553       236.9030 66.59013 15.05589 50.68972 19.47286 15.90041       24.61447 
1 1 1 -23 9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 9  23 f 123.6778 9.001379 1372.872       188.8047 1007.840       263.1678 1760.029       271.0258 100.9726 15.77886 137.9581 11.61233 -36.98548      19.59129 
1 1 1 -23 9  24 o 63.14529 16.36535 413.1257       177.9168 223.6788       237.5672 655.0914       268.4847 49.22449 19.33360 76.57706 20.22924 -27.35257      27.98231 
1 1 1 -23 9  25 o 61.20256 16.37103 395.6449       174.4370 279.6543       240.5572 524.2692       253.3195 51.68223 19.67725 67.21737 20.33432 -15.53514      28.29626 
1 1 1 -23 9  26 o 38.96261 15.94524 110.6459       168.7456 53.40304       239.6382 166.9471       237.6589 40.04078 17.72444 44.86121 18.69413 -4.820435      25.76094 
1 1 1 -23 9  27 o 58.06819 17.82532 389.4118       193.7036 0.000000       0.000000 389.4118       193.7036 ?        ?        58.06819 17.82532 0.000000       17.82532 
1 1 1 -23 9  28 o 29.64183 13.07843 11.87829       129.4346 -305.2522      239.7962 142.2619       153.7570 28.91430 14.18669 39.03339 15.48264 -10.11909      20.99939 
1 1 1 -23 9  29 o 25.82050 11.89922 -42.67610      121.5806 -116.0470      213.8387 -7.628333      147.7932 30.81716 14.68712 29.74165 13.48101 1.075514       19.93612 
1 1 1 -23 9  30 o 30.34658 13.50685 24.70388       141.0282 165.7983       228.4005 -62.23559      179.2877 40.40498 17.61230 29.59736 13.90712 10.80762       22.44106 
1 1 1 -23 9  31 o 26.71449 12.07568 -3.282006      117.6507 -81.09357      204.0785 35.45168       143.9858 30.10206 14.34678 30.59472 13.63026 -0.4926643     19.78924 
1 1 1 -23 9  32 o 53.31151 14.29648 343.5969       132.8280 297.6267       262.4446 359.4275       154.0099 42.96643 18.79987 52.34231 15.85977 -9.375881      24.59609 
1 1 1 -23 10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 10 3  o 244.8498 6.532996 5187.045       273.1581 5331.271       365.7202 5005.067       410.8063 246.9969 8.670729 238.3530 10.09287 8.643875       13.30592 
1 1 1 -23 10 4  o 165.7818 6.409813 2375.206       181.4613 2247.116       217.8798 2665.219       327.8446 160.7346 7.937900 173.1996 11.14373 -12.46506      13.68185 
1 1 1 -23 10 5  o 177.3539 5.940411 2712.434       179.9116 2586.746       221.4784 2956.270       308.4848 172.6870 7.510516 183.3143 9.891129 -10.62723      12.41943 
1 1 1 -23 10 6  o 146.7922 5.698033 1856.109       142.8335 1900.186       181.6844 1784.786       231.1147 148.1431 7.181818 142.5226 9.551281 5.620453       11.95012 
1 1 1 -23 10 7  o 134.4161 7.220735 1568.367       165.1356 1568.367       165.1356 0.000000       0.000000 134.4161 7.220735 ?        ?        0.000000       7.220735 
1 1 1 -23 10 8  o 53.26994 11.65779 259.9682       103.1024 259.9682       103.1024 0.000000       0.000000 53.26994 11.65779 ?        ?        0.000000       11.65779 
1 1 1 -23 10 9  o 130.9582 6.757986 1485.625       150.6152 1575.761       171.2159 1177.216       316.7075 134.6698 7.474492 112.2447 17.06019 22.42508       18.62573 
1 1 1 -23 10 10 o 84.83947 7.919573 629.9023       113.4098 570.1641       123.9164 938.0427       281.4342 80.33473 9.198617 99.92208 17.10880 -19.58735      19.42488 
1 1 1 -23 10 11 o 61.83072 11.52106 347.8857       117.1705 194.2466       130.4636 988.6545       266.4338 46.43396 14.68829 103.3505 15.58041 -56.91650      21.41250 
1 1 1 -23 10 12 o 102.6430 7.650357 919.0002       133.1321 880.0137       143.2105 1167.107       361.2740 100.1967 8.448703 109.7499 20.01404 -9.553200      21.72424 
1 1 1 -23 10 13 o 57.49254 23.47728 209.9526       364.8202 0.000000       0.000000 209.9526       364.8202 ?        ?        57.49254 23.47728 0.000000       23.47728 
1 1 1 -23 10 14 o 31.91974 12.57261 57.03226       100.7322 34.06456       105.2048 310.0567       349.1869 30.58653 12.56217 61.01460 23.58642 -30.42806      26.72316 
1 1 1 -23 10 15 o 83.53744 8.892087 617.5485       124.8989 690.2575       134.4238 158.3446       337.8196 88.31633 9.040623 53.64348 22.31534 34.67285       24.07711 
1 1 1 -23 10 16 o 51.47178 13.61570 249.5326       121.5230 176.2379       137.5904 509.5216       259.1370 44.62330 15.13904 70.99942 20.33414 -26.37612      25.35089 
1 1 1 -23 10 17 o 106.3685 7.165854 989.3453       129.4033 724.8583       147.7111 1862.319       268.3561 90.02933 9.764389 144.0050 10.99581 -53.97571      14.70548 
1 1 1 -23 10 18 o 33.23154 13.34926 58.81877       115.7625 34.96109       132.7828 134.3961       236.3325 33.23409 13.92149 46.39504 18.91513 -13.16095      23.48595 
1 1 1 -23 10 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 10 21 f 30.74117 13.37312 2.282458       131.1247 -183.7473      165.7474 313.4692       214.3710 26.91232 12.85494 55.39776 18.89626 -28.48544      22.85428 
1 1 1 -23 10 22 o 34.97500 14.61310 54.56490       145.7676 35.53251       172.3433 102.4006       273.2271 36.04695 15.50570 45.27624 19.49949 -9.229286      24.91299 
1 1 1 -23 10 23 o 41.94206 15.01719 163.3337       136.3934 65.08450       178.0167 302.9974       212.2452 37.65772 15.96438 53.46107 18.77476 -15.80335      24.64453 
1 1 1 -23 10 24 f 37.03099 14.56866 105.5026       135.1071 -171.9389      181.8615 447.2375       201.8365 28.33182 13.51420 63.80179 17.83319 -35.46997      22.37535 
1 1 1 -23 10 25 o 74.07465 11.79412 530.9622       144.1868 652.5421       202.9113 406.9567       204.9253 79.02369 15.59027 59.74929 18.33323 19.27439       24.06582 
1 1 1 -23 10 26 o 31.77183 13.96971 17.87863       146.4809 -119.2536      201.1967 172.5508       213.6767 30.91010 14.58799 43.37886 17.86966 -12.46875      23.06804 
1 1 1 -23 10 27 o 42.16439 14.64411 188.9415       128.9555 147.1539       219.2818 211.0337       159.4402 41.29987 17.61983 43.92168 16.16312 -2.621807      23.91035 
1 1 1 -23 10 28 o 41.13775 14.91604 185.3162       135.0667 123.1966       266.0496 206.8857       156.7719 40.59763 18.27272 42.75655 15.97080 -2.158928      24.26847 
1 1 1 -23 10 29 o 26.44623 12.13187 -29.45516      124.4241 179.0979       171.9264 -258.8083      180.2963 40.28922 16.23874 24.56215 12.10042 15.72706       20.25134 
1 1 1 -23 10 30 o 27.24759 12.28409 1.370249       120.8148 -11.23639      218.6343 6.911910       144.9568 32.93214 15.43668 29.36337 13.32578 3.568773       20.39283 
1 1 1 -23 10 31 o 25.11658 11.59327 -25.61341      116.0900 -173.0301      202.4710 46.58456       141.6942 27.14157 13.25764 30.41058 13.53677 -3.269012      18.94753 
1 1 1 -23 11 1  o 155.8730 6.186873 2106.711       164.6812 2095.967       199.6753 2129.564       291.2108 154.8974 7.548809 153.7422 11.16833 1.155167       13.48021 
1 1 1 -23 11 2  o 131.7861 6.459640 1506.738       145.3716 1536.309       169.9158 1425.984       280.7931 132.4939 7.541117 124.4124 13.42962 8.081474       15.40205 
1 1 1 -23 11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 7  o 118.9474 6.208012 1227.299       125.6611 1368.277       157.2097 977.8481       209.1201 125.2114 7.385170 103.8765 12.01046 21.33492       14.09936 
1 1 1 -23 11 8  o 102.7751 7.442099 923.4977       129.7285 1024.906       139.6984 288.1480       349.6723 108.2423 7.606049 59.43011 23.41945 48.81220       24.62362 
1 1 1 -23 11 9  o 147.1695 7.054560 1880.861       177.2922 1924.468       189.1033 1564.129       509.6452 148.5352 7.479313 121.2782 25.42126 27.25704       26.49870 
1 1 1 -23 11 10 f 81.62086 8.853175 590.4752       121.4180 537.4091       133.9153 835.6392       287.8393 77.28430 10.41196 92.13748 18.92738 -14.85318      21.60219 
1 1 1 -23 11 11 o 48.12902 20.44832 87.80504       293.1152 0.000000       0.000000 87.80504       293.1152 ?        ?        48.12902 20.44832 0.000000       20.44832 
1 1 1 -23 11 12 o 204.3272 6.455373 3618.846       225.2420 3598.425       276.7441 3658.921       387.6766 202.9466 7.985363 202.1069 11.27773 0.8397522      13.81858 
1 1 1 -23 11 13 f 31.63516 12.75597 48.84772       106.1354 42.29192       112.1284 105.3054       329.0515 31.76741 12.99895 50.47687 21.56075 -18.70946      25.17615 
1 1 1 -23 11 14 o 119.7581 6.829865 1251.094       139.0964 1317.077       158.6573 1031.907       289.1692 122.5724 7.617629 103.2615 16.98981 19.31091       18.61940 
1 1 1 -23 11 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 11 19 o 72.25719 9.804293 476.1154       117.8519 543.3058       138.9736 304.0811       222.3750 76.70897 10.91729 54.82728 19.21964 21.88169       22.10388 
1 1 1 -23 11 20 o 81.44759 8.085769 593.5071       110.9745 619.1979       126.9413 510.2187       228.5629 82.69616 9.141977 68.97309 18.86240 13.72307       20.96106 
1 1 1 -23 11 21 o 87.06424 8.922158 686.9251       130.7779 764.4532       148.3306 416.2744       277.1443 91.45623 9.642992 60.47454 21.43256 30.98169       23.50195 
1 1 1 -23 11 22 o 42.07740 13.35205 172.6249       107.7408 124.0022       125.9537 305.2336       208.0067 38.09362 14.29826 53.25124 18.59277 -15.15762      23.45488 
1 1 1 -23 11 23 o 104.7356 7.453458 981.8708       132.4374 862.6237       163.1373 1212.368       226.8098 96.34127 10.06464 112.5326 11.98723 -16.19137      15.65217 
1 1 1 -23 11 24 o 35.86854 13.82332 107.5981       119.6524 118.9640       139.3470 75.69744       233.4510 37.72566 14.81031 40.19895 17.65632 -2.473286      23.04541 
1 1 1 -23 11 25 f 42.97535 14.88970 193.5002       133.2784 349.8380       204.9926 79.02458       175.4135 53.92253 18.47789 36.65984 15.70264 17.26269       24.24882 
1 1 1 -23 11 26 f 29.99463 13.38274 5.730291       139.3583 -73.43933      207.3881 70.91012       188.1747 32.02095 15.01749 36.27346 15.89397 -4.252510      21.86649 
1 1 1 -23 11 27 o 52.39225 14.21821 305.8779       130.4558 349.4218       221.9356 282.8898       161.2558 50.88084 19.00291 48.44644 16.38959 2.434406       25.09441 
1 1 1 -23 11 28 o 71.81892 11.58822 528.1818       137.2830 660.8601       239.6516 463.3780       167.4868 69.77103 19.40748 62.74759 15.67608 7.023438       24.94774 
1 1 1 -23 11 29 f 34.59045 13.42072 122.0801       113.3760 156.2839       172.9245 96.29167       150.1520 38.02255 15.90388 34.06684 14.55829 3.955715       21.56101 
1 1 1 -23 11 30 o 31.38991 12.80644 89.90830       108.4275 232.2910       160.4911 -29.65034      147.0662 41.89043 16.04300 27.47983 12.80849 14.41060       20.52889 
1 1 1 -23 12 1  o 67.40435 8.299104 406.2763       93.50814 371.4185       107.0912 518.1351       191.8399 63.69109 10.18981 72.43396 15.94164 -8.742867      18.92005 
1 1 1 -23 12 2  o 50.29854 10.54215 234.7008       87.65347 267.7166       98.86801 113.4320       189.4827 53.58032 11.16767 42.23441 17.03893 11.34592       20.37258 
1 1 1 -23 12 3  o 59.49285 9.641113 321.8806       94.59567 316.7549       103.0971 349.1710       237.8900 58.61878 10.69332 58.87701 19.90672 -0.2582321     22.59700 
1 1 1 -23 12 4  o 174.2018 5.681700 2627.842       169.0180 2658.894       233.8481 2593.877       244.5671 174.1152 7.864938 171.6895 8.341655 2.425659       11.46475 
1 1 1 -23 12 5  o 73.22673 10.50498 487.5880       127.5985 557.4077       152.2393 322.7311       233.9331 77.78268 11.83473 57.37171 19.73516 20.41097       23.01168 
1 1 1 -23 12 6  o 194.5465 6.217066 3284.006       206.5432 3540.199       275.9171 2957.469       311.5018 200.9164 8.041950 182.0452 10.05930 18.87120       12.87876 
1 1 1 -23 12 7  o 83.86047 8.037909 621.7792       113.6969 748.5443       124.1898 -34.71501      282.6192 92.10074 7.974962 42.32751 18.95910 49.77323       20.56811 
1 1 1 -23 12 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 12 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 12 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 12 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 12 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 12 14 o 82.25493 7.659536 598.6294       106.3518 586.7257       117.0846 654.7729       254.2788 81.06620 8.588622 79.66131 18.96512 1.404892       20.81923 
1 1 1 -23 12 15 o 110.7850 7.400681 1081.191       139.2030 1191.502       156.5411 664.3225       304.3120 116.0534 7.946778 77.64468 21.96612 38.40868       23.35941 
1 1 1 -23 12 16 o 69.91850 9.260988 442.9162       107.8525 498.2294       122.5820 253.3546       226.9279 73.89701 9.968375 51.72851 19.23594 22.16850       21.66540 
1 1 1 -23 12 17 o 39.13860 11.63203 143.9783       83.43700 202.5374       91.00913 -164.6477      208.9315 46.10896 11.57559 31.59964 14.89885 14.50932       18.86717 
1 1 1 -23 12 18 o 74.67513 8.125958 500.5193       101.9495 501.5753       111.3227 495.0290       253.8383 74.38220 8.943482 66.62342 20.39784 7.758781       22.27235 
1 1 1 -23 12 19 o 103.5997 7.225173 952.0609       127.0226 990.3533       149.0435 850.4301       242.8116 105.0028 8.381939 91.52291 16.12505 13.47991       18.17345 
1 1 1 -23 12 20 o 55.42015 11.69639 296.3354       107.2157 326.7059       117.4653 144.7367       262.4407 57.96021 12.25132 45.59573 19.35968 12.36448       22.91053 
1 1 1 -23 12 21 o 36.53258 12.69094 122.7924       96.85310 98.98135       109.9764 205.0829       204.4489 34.95054 13.30522 46.25756 18.00133 -11.30702      22.38475 
1 1 1 -23 12 22 o 27.24491 11.59346 20.85550       94.48943 122.8542       108.0373 -311.0454      194.8860 36.72280 13.33648 25.86311 12.70977 10.85969       18.42281 
1 1 1 -23 12 23 o 70.72490 10.93526 483.2175       127.8088 616.3625       165.7626 288.0183       200.7073 78.42653 12.82024 50.08862 18.17954 28.33791       22.24532 
1 1 1 -23 12 24 o 68.99801 10.56103 461.9687       120.4761 658.7139       167.5429 251.3149       173.3639 80.72215 12.56292 46.93286 16.91703 33.78930       21.07162 
1 1 1 -23 12 25 o 73.75668 9.889167 524.8616       121.4189 569.7037       171.6555 479.9601       171.7690 72.58183 14.35783 65.04365 15.65376 7.538185       21.24117 
1 1 1 -23 12 26 o 63.33421 11.36566 406.6859       118.4066 312.6640       171.3606 492.5938       163.7997 50.19765 16.89573 66.26019 14.84460 -16.06255      22.49061 
1 1 1 -23 12 27 o 35.22393 13.70891 122.8192       118.5810 441.3747       189.5922 -81.86935      151.9759 58.21627 17.58718 26.75923 12.64417 31.45705       21.66065 
1 1 1 -23 12 28 o 34.51442 14.19862 115.5897       134.6736 255.3021       201.5786 2.953984       180.9943 43.22651 17.52689 31.21979 14.43329 12.00672       22.70488 
1 1 1 -23 12 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 13 1  f 62.31443 8.809922 352.6248       91.13456 397.2444       104.1600 206.9414       188.2101 65.88266 9.535541 47.23439 17.52744 18.64827       19.95339 
1 1 1 -23 13 2  o 52.47682 10.71052 257.9797       92.73134 269.0674       113.1441 235.2921       161.8474 52.82749 12.69898 49.02195 16.42043 3.805542       20.75800 
1 1 1 -23 13 3  o 27.93190 11.54373 29.74345       89.55602 94.60734       100.9904 -209.0269      193.7620 34.64317 12.84234 29.02751 13.87462 5.615660       18.90584 
1 1 1 -23 13 4  o 41.00145 12.62821 157.7643       97.12593 174.4311       107.7224 85.33281       224.5662 42.93554 13.31174 42.48544 17.96627 0.4501038      22.36044 
1 1 1 -23 13 5  o 74.08489 8.542963 492.1837       106.0981 425.1870       123.7605 677.9468       206.0796 67.70258 11.08871 83.43204 15.01660 -15.72947      18.66702 
1 1 1 -23 13 6  o 80.70415 8.440834 582.1232       114.6066 633.3015       129.6043 398.5901       245.4335 83.86912 9.200385 61.44646 20.20759 22.42266       22.20347 
1 1 1 -23 13 7  o 170.4327 10.66852 2633.456       308.9342 0.000000       0.000000 2633.456       308.9342 ?        ?        170.4327 10.66852 0.000000       10.66852 
1 1 1 -23 13 8  o 136.7667 7.280945 1644.977       169.4351 1795.612       190.9730 1087.874       367.2630 142.5592 7.875207 99.80957 22.12839 42.74968       23.48796 
1 1 1 -23 13 9  o 92.41969 6.697418 749.9139       104.9826 694.9057       122.9306 898.1236       201.7831 88.32285 8.245892 98.18743 12.30470 -9.864586      14.81217 
1 1 1 -23 13 10 o 19.95783 9.261938 -58.77351      75.57953 -117.4453      78.09769 807.2781       300.0512 17.66367 8.535762 86.73988 20.56899 -69.07622      22.26977 
1 1 1 -23 13 11 o 35.05646 11.56674 109.8631       80.38873 75.39821       85.45225 375.0935       237.0536 31.62512 11.79539 59.69698 19.87061 -28.07186      23.10784 
1 1 1 -23 13 12 o 17.78592 8.491132 -89.94475      72.11763 -106.3317      74.12379 200.5554       312.0909 17.42070 8.392687 51.45732 21.43090 -34.03662      23.01566 
1 1 1 -23 13 13 o 86.82150 7.089263 666.0493       104.1894 660.3431       116.5382 688.7744       232.5681 86.04441 8.023849 82.18739 17.12634 3.857018       18.91279 
1 1 1 -23 13 14 o 121.2130 6.704200 1291.471       138.2316 1470.635       157.2377 681.8482       290.0421 129.1144 7.159530 77.98238 21.21606 51.13200       22.39152 
1 1 1 -23 13 15 o 65.32855 8.304614 385.2132       90.55173 416.5494       100.0977 244.0299       212.4677 67.72226 8.868592 50.05467 18.61308 17.66759       20.61792 
1 1 1 -23 13 16 o 139.2336 6.565857 1702.088       156.1124 1871.151       185.4548 1290.984       289.1944 145.2031 7.504940 114.0410 15.23062 31.16206       16.97928 
1 1 1 -23 13 17 o 35.48167 12.10924 114.0436       88.03400 65.06568       97.21731 337.1645       207.4979 31.32703 12.34744 55.77155 18.59193 -24.44452      22.31858 
1 1 1 -23 13 18 o 73.73654 8.702900 495.6289       107.4724 482.6741       117.3846 562.7639       267.2206 72.17599 9.775460 69.02429 20.88566 3.151703       23.06015 
1 1 1 -23 13 19 o 94.52229 7.120533 797.5704       114.0899 715.0173       132.5034 1034.223       224.3446 88.40259 8.898213 102.7906 13.07693 -14.38804      15.81721 
1 1 1 -23 13 20 o 54.15107 11.04140 284.4921       98.64015 274.3101       107.5049 338.7055       248.0636 52.48243 12.22302 53.61736 20.07751 -1.134933      23.50550 
1 1 1 -23 13 21 o 64.84958 11.08327 408.7571       118.3284 431.4479       145.7718 364.9222       202.6094 64.73935 13.61730 55.48620 18.36565 9.253151       22.86325 
1 1 1 -23 13 22 f 97.90987 7.904330 877.6743       131.0314 1013.185       166.8206 659.4163       211.7133 103.6999 9.526936 76.47388 16.68136 27.22604       19.21016 
1 1 1 -23 13 23 o 48.37963 13.43234 250.8835       114.9126 120.7428       140.8950 509.4408       198.5945 36.75501 14.74042 65.11821 17.48884 -28.36320      22.87224 
1 1 1 -23 13 24 o 100.8754 7.426769 933.0905       127.0346 1102.839       173.0612 734.7646       187.0627 107.3842 9.536765 83.13693 13.65011 24.24722       16.65159 
1 1 1 -23 13 25 o 62.30458 11.70657 399.5187       119.9791 395.2392       152.0421 406.5818       195.3289 58.52097 15.10993 55.61594 18.01306 2.905033       23.51128 
1 1 1 -23 13 26 o 48.04550 12.92514 255.7908       108.3644 330.0783       149.3295 173.1546       157.4972 51.85831 15.59540 39.13373 15.62322 12.72458       22.07491 
1 1 1 -23 13 27 o 38.39890 13.68262 169.5257       113.0989 196.2310       170.2631 148.4371       151.3025 39.84232 16.12436 36.80053 15.08393 3.041794       22.07985 
1 1 1 -23 14 1  o 90.21429 7.558723 728.7470       115.3731 679.0282       136.1900 855.1236       217.1291 85.97185 9.431447 92.82278 14.14531 -6.850937      17.00123 
1 1 1 -23 14 2  o 37.98386 12.63984 135.4617       95.92191 89.43992       107.5426 314.5539       212.1473 34.13617 13.11853 53.88276 18.77896 -19.74659      22.90732 
1 1 1 -23 14 3  o 27.66479 12.07497 -0.4529857     107.6778 -20.57990      122.6386 67.27232       224.9645 28.21542 12.57413 40.62743 17.59490 -12.41201      21.62612 
1 1 1 -23 14 4  o 60.65992 10.27269 343.5702       102.6131 280.3821       114.8328 593.9675       228.5932 53.52552 12.74608 74.38995 18.15459 -20.86442      22.18224 
1 1 1 -23 14 5  o 63.26754 16.05674 412.6129       173.7689 0.000000       0.000000 412.6129       173.7689 ?        ?        63.26754 16.05674 0.000000       16.05674 
1 1 1 -23 14 6  o 42.06871 12.87036 170.1929       101.0795 176.9340       106.8046 112.3225       312.9340 42.81649 13.25163 47.11982 20.57526 -4.303333      24.47339 
1 1 1 -23 14 7  o 184.0021 5.648220 2948.947       177.4746 3020.841       259.5646 2885.828       243.2072 184.1821 8.252702 180.3319 7.897723 3.850159       11.42283 
1 1 1 -23 14 8  o 52.26779 12.06161 263.1227       105.4691 347.4050       129.6586 98.28571       181.3262 59.72042 13.07621 39.93859 16.45801 19.78183       21.02031 
1 1 1 -23 14 9  o 69.30125 9.510433 439.9703       109.5815 434.5760       118.4635 471.9502       288.4413 68.39021 10.47734 63.97970 21.91858 4.410511       24.29401 
1 1 1 -23 14 10 o 68.70734 8.664656 427.9953       99.40080 476.6199       104.4643 -37.42143      323.1921 72.58523 8.594776 42.80064 19.60418 29.78459       21.40547 
1 1 1 -23 14 11 o 111.4117 6.618502 1093.624       125.3538 1057.528       139.4985 1245.029       285.6985 109.0548 7.536950 111.8850 15.35839 -2.830185      17.10806 
1 1 1 -23 14 12 o 31.31128 11.38448 80.03718       78.75916 94.52274       81.41886 -130.8746      310.6760 33.06341 11.62740 39.35128 18.43146 -6.287876      21.79255 
1 1 1 -23 14 13 o 68.47771 9.247145 430.2683       105.3676 484.3276       115.7266 168.2153       254.7961 72.53561 9.577060 46.54489 19.37275 25.99072       21.61073 
1 1 1 -23 14 14 o 36.15281 11.39129 122.9912       78.52753 139.9534       83.05329 -20.04478      241.1783 38.26862 11.65810 37.99159 17.22078 0.2770309      20.79583 
1 1 1 -23 14 15 o 138.7886 6.415784 1696.523       152.0566 1867.052       178.0525 1237.064       292.2622 145.0313 7.189260 109.4855 16.11395 35.54584       17.64496 
1 1 1 -23 14 16 o 52.24988 9.584804 256.6678       82.36895 222.5582       89.07736 457.8810       216.3501 47.87890 11.10949 63.26432 18.71430 -15.38542      21.76340 
1 1 1 -23 14 17 o 100.9780 6.820518 909.4987       116.9210 855.6594       136.2722 1059.718       227.6252 96.93711 8.312603 103.3816 13.19454 -6.444473      15.59472 
1 1 1 -23 14 18 o 80.05101 8.096521 585.4243       109.1578 620.1630       120.5956 427.9117       256.7926 81.97375 8.750203 58.11098 20.62679 23.86277       22.40604 
1 1 1 -23 14 19 o 72.51315 8.151436 483.9005       99.18826 400.4987       113.1593 760.4801       206.0689 64.29271 10.68171 84.96120 14.73763 -20.66850      18.20155 
1 1 1 -23 14 20 o 93.45406 8.071161 803.3015       127.5421 806.4897       160.0339 797.7510       211.1554 91.52793 10.42497 86.37440 14.85118 5.153534       18.14491 
1 1 1 -23 14 21 o 35.11041 13.34814 114.5854       110.5939 19.49892       131.2660 347.1978       205.3095 29.97759 13.20147 52.32281 18.45733 -22.34521      22.69255 
1 1 1 -23 14 22 o 46.29414 12.76157 227.7341       104.1353 324.3078       136.2493 92.07334       161.4849 53.97215 14.48187 35.63762 15.16024 18.33453       20.96563 
1 1 1 -23 14 23 o 90.04504 7.774388 752.3108       118.3718 771.6572       158.5849 727.9710       177.8773 88.13998 10.75963 83.12738 12.95270 5.012596       16.83871 
1 1 1 -23 14 24 o 52.72453 12.00253 295.0425       105.6408 511.0515       140.7679 16.53541       159.8401 69.56601 12.29955 30.99921 14.03816 38.56680       18.66411 
1 1 1 -23 14 25 o 40.59325 13.47642 188.8584       109.0629 177.8897       134.8582 209.5943       185.4213 39.05227 14.76541 40.90485 16.72438 -1.852581      22.30969 
1 1 1 -23 15 1  o 96.30510 6.815633 827.0419       111.3636 757.6968       140.8940 942.4904       181.7937 90.57744 9.238317 99.73808 10.84869 -9.160637      14.24923 
1 1 1 -23 15 2  o 28.44556 11.55942 44.96507       87.90010 30.10315       102.2712 86.98161       171.9593 28.77413 12.14385 37.69515 15.81908 -8.921019      19.94282 
1 1 1 -23 15 3  o 70.00735 8.692461 450.0858       101.6811 420.5763       122.9889 513.8179       180.7441 66.11434 11.29942 69.94667 15.53611 -3.832329      19.21061 
1 1 1 -23 15 4  o 30.09125 12.17933 54.01053       97.15206 31.59533       102.8611 239.2875       295.7269 28.95332 12.19695 49.51019 20.75951 -20.55687      24.07744 
1 1 1 -23 15 5  o 82.57693 7.605138 614.1973       106.0375 644.5300       130.0486 554.0317       183.1573 83.58527 9.267135 73.10706 15.16817 10.47821       17.77507 
1 1 1 -23 15 6  o 64.13330 10.23229 388.0060       108.2957 399.5013       135.7235 367.8628       179.6630 63.36549 12.97950 57.91333 17.03203 5.452164       21.41396 
1 1 1 -23 15 7  o 35.69696 11.91528 119.5308       85.21773 123.8856       100.4359 108.3374       161.0222 36.65232 12.91163 38.42202 15.63301 -1.769703      20.27563 
1 1 1 -23 15 8  o 21.19288 9.794080 -53.17168      83.22709 -89.30919      91.39482 122.3325       201.4124 20.66828 9.778131 41.22433 17.19674 -20.55606      19.78230 
1 1 1 -23 15 9  o 63.99796 10.58058 388.9391       111.5913 438.8258       131.5598 260.9944       210.6891 67.21064 11.89802 49.45404 18.50629 17.75660       22.00104 
1 1 1 -23 15 10 o 66.57388 8.794081 408.1645       97.52901 363.6496       112.9220 538.8716       193.4974 61.46289 11.17025 71.00405 16.30271 -9.541157      19.76241 
1 1 1 -23 15 11 o 36.52092 12.77298 124.2898       98.18861 124.2898       98.18861 0.000000       0.000000 36.52092 12.77298 ?        ?        0.000000       12.77298 
1 1 1 -23 15 12 o 107.2248 7.117983 1028.867       129.5921 1110.994       148.5879 767.8529       264.8933 110.8573 7.900751 81.40534 19.34134 29.45199       20.89281 
1 1 1 -23 15 13 o 33.02571 11.35775 100.1463       77.47869 84.18145       80.65432 290.9900       278.8583 31.42150 11.50597 50.80036 20.60872 -19.37885      23.60311 
1 1 1 -23 15 14 o 117.3937 6.944360 1233.633       138.5935 1326.431       158.4608 931.6052       285.8755 121.1073 7.702157 89.26771 19.31449 31.83956       20.79357 
1 1 1 -23 15 15 o 77.66515 7.346337 546.2276       96.27412 551.3477       107.5194 525.5195       216.2299 77.46338 8.255277 66.69994 18.39024 10.76344       20.15814 
1 1 1 -23 15 16 o 105.9996 6.849345 1009.056       123.3179 1189.359       146.5828 572.3892       228.1164 114.5280 7.537073 68.74604 18.86206 45.78195       20.31218 
1 1 1 -23 15 17 o 30.98284 11.63049 81.80756       83.34176 55.70553       92.32938 196.6374       193.6556 29.26915 11.86388 43.42080 17.32739 -14.15165      20.99977 
1 1 1 -23 15 18 o 117.0861 6.497750 1229.410       129.4081 1321.061       148.5236 940.5175       263.6911 120.6944 7.239652 89.67635 17.84696 31.01803       19.25945 
1 1 1 -23 15 19 o 41.14304 11.52712 172.9742       84.22595 177.3313       96.07299 158.5036       175.0837 41.22149 12.53440 40.19002 16.32093 1.031467       20.57872 
1 1 1 -23 15 20 o 38.62617 11.43354 153.1367       80.73465 128.3858       93.73016 224.2924       158.9237 35.69471 12.47987 44.02807 16.14678 -8.333359      20.40749 
1 1 1 -23 15 21 o 47.84801 10.41631 230.5437       82.69522 162.1097       96.53433 419.2188       160.2889 38.95702 12.66658 59.75872 15.55582 -20.80171      20.06056 
1 1 1 -23 15 22 o 23.99746 10.23859 21.19947       74.04894 21.77789       85.00866 19.38006       150.7666 25.22485 10.87015 30.49464 13.73762 -5.269794      17.51806 
1 1 1 -23 15 23 o 45.94048 14.16841 248.0032       122.2161 248.0032       122.2161 0.000000       0.000000 45.94048 14.16841 ?        ?        0.000000       14.16841 
1 1 1 -23 16 2  o 35.12861 13.67564 104.8869       118.0314 47.75384       129.5419 384.1960       286.4237 31.89819 13.57410 54.02993 21.22625 -22.13174      25.19544 
1 1 1 -23 16 3  o 34.97451 12.35927 115.2951       92.09599 75.51599       105.4546 243.1442       189.0544 32.05836 12.78857 46.80758 17.52756 -14.74922      21.69707 
1 1 1 -23 16 4  o 32.74401 12.76891 84.97658       103.0330 1.021828       123.6033 276.1493       186.5179 28.78616 12.73660 49.29877 17.57067 -20.51262      21.70137 
1 1 1 -23 16 5  o 46.49749 11.86410 216.9974       94.51184 178.4185       107.3636 349.8215       199.2143 41.81156 13.33514 54.46868 18.21777 -12.65712      22.57682 
1 1 1 -23 16 6  o 22.27430 10.11804 -32.45162      83.81900 -112.3321      94.96166 249.2673       178.3347 20.09582 9.634071 47.59515 17.15753 -27.49933      19.67730 
1 1 1 -23 16 7  o 52.07482 11.15134 266.2325       96.17464 215.7106       108.5291 451.0106       207.5542 45.79396 13.17219 61.87320 18.33628 -16.07924      22.57711 
1 1 1 -23 16 8  o 45.56129 11.71991 207.5201       91.70530 313.6834       105.9587 -109.3753      183.0659 56.48194 11.37897 29.74007 13.99893 26.74187       18.04026 
1 1 1 -23 16 9  f 72.50117 8.468145 484.9257       102.8667 437.6978       118.4155 630.1711       207.6636 67.45033 10.63287 75.66102 16.53449 -8.210686      19.65826 
1 1 1 -23 16 10 o 34.15346 12.06291 108.3982       87.72134 141.6265       97.19373 -37.57969      203.7171 37.89625 12.72464 33.62107 15.46018 4.275181       20.02333 
1 1 1 -23 16 11 f 105.9176 6.693699 1004.360       120.4472 1223.510       160.7657 723.9509       181.8527 115.6388 8.194259 84.69463 12.98808 30.94413       15.35695 
1 1 1 -23 16 12 f 70.71563 7.812579 458.1171       92.76790 450.6989       102.3905 492.1122       219.1881 69.50506 8.825568 63.42430 18.85397 6.080753       20.81736 
1 1 1 -23 16 13 o 57.89839 11.24122 331.6671       107.1356 331.6671       107.1356 0.000000       0.000000 57.89839 11.24122 ?        ?        0.000000       11.24122 
1 1 1 -23 16 14 f 89.27157 7.003666 720.6675       105.9111 845.2055       120.7224 304.5016       220.6838 96.41699 7.388385 49.78075 18.87230 46.63624       20.26702 
1 1 1 -23 16 15 o 75.18890 8.022783 522.7329       101.4197 518.4298       116.3693 536.3273       206.8364 73.82476 9.447403 66.67735 17.82294 7.147415       20.17203 
1 1 1 -23 16 16 o 65.30165 8.865407 403.6396       96.30520 442.2161       110.0797 277.7845       198.8295 67.68334 9.810033 47.52919 17.93869 20.15416       20.44587 
1 1 1 -23 16 17 o 46.98869 10.17256 219.3224       79.25938 205.8356       85.18330 306.2954       216.3181 44.87336 11.16236 48.45424 18.60915 -3.580879      21.70020 
1 1 1 -23 16 18 o 26.05060 10.81091 37.66790       79.01569 50.31275       87.15829 -20.67848      187.2228 27.84036 11.43416 31.65391 14.65000 -3.813549      18.58393 
1 1 1 -23 16 19 o 21.21733 9.644584 -23.63594      76.32629 -20.34670      83.70521 -39.86327      185.9207 22.39237 10.14802 30.66938 14.33072 -8.277010      17.55994 
1 1 1 -23 17 7  o 23.38408 10.83673 -54.55611      102.9356 -2.281296      114.7941 -269.0802      232.5474 27.36524 12.18249 28.92135 14.14409 -1.556114      18.66731 
1 1 1 -23 17 8  o 28.41426 11.54783 52.25258       87.73463 75.05402       97.27089 -47.22877      203.1761 31.06734 12.31719 32.50991 15.12020 -1.442570      19.50215 
1 1 1 -23 17 9  o 21.26844 9.802476 -42.43065      82.53890 -50.59444      91.74686 -7.774225      189.0328 22.10280 10.23868 32.90629 15.04283 -10.80349      18.19663 
1 1 1 -23 17 10 o 52.19661 12.03269 280.9543       105.0553 291.7607       125.3527 255.4522       192.5673 51.73629 13.89441 46.19973 17.60171 5.536568       22.42487 
1 1 1 -23 17 11 o 23.62508 10.75123 -28.60790      95.18940 1.713200       110.5470 -115.5614      187.2053 26.99381 11.98932 29.04420 13.81413 -2.050394      18.29136 
1 1 1 -23 17 12 o 59.60223 10.09260 347.9162       99.05676 317.8759       108.4689 498.8246       243.1137 55.64926 11.78121 59.59190 20.12421 -3.942642      23.31911 
1 1 1 -23 17 13 o 34.31887 11.17207 118.0210       75.08979 138.0357       79.31290 -55.05077      233.2284 36.73714 11.42763 33.52106 15.78543 3.216076       19.48770 
1 1 1 -23 17 14 o 140.8486 8.442857 1857.913       202.1323 1857.913       202.1323 0.000000       0.000000 140.8486 8.442857 ?        ?        0.000000       8.442857 
1 1 1 -22 0  1  o 221.0685 7.496253 4203.678       282.2537 4203.678       282.2537 4203.678       282.2537 221.0685 7.496253 221.0685 7.496253 0.000000       0.000000 
1 1 1 -22 0  2  o 291.4600 8.561142 7308.512       425.2692 7308.512       425.2692 7308.512       425.2692 291.4600 8.561142 291.4600 8.561142 0.000000       0.000000 
1 1 1 -22 0  3  o 40.29301 15.36771 190.0721       99.60996 190.0721       99.60996 190.0721       99.60996 40.29301 15.36771 40.29301 15.36771 0.000000       0.000000 
1 1 1 -22 0  4  o 69.75375 11.31394 449.8492       124.1341 449.8492       124.1341 449.8492       124.1341 69.75375 11.31394 69.75375 11.31394 0.000000       0.000000 
1 1 1 -22 0  5  o 63.90870 14.88896 404.3603       141.2878 404.3603       141.2878 404.3603       141.2878 63.90870 14.88896 63.90870 14.88896 0.000000       0.000000 
1 1 1 -22 0  6  o 60.63931 16.78359 382.2001       150.3188 382.2001       150.3188 382.2001       150.3188 60.63931 16.78359 60.63931 16.78359 0.000000       0.000000 
1 1 1 -22 0  7  o 66.81844 28.47422 562.0045       330.6739 562.0045       330.6739 562.0045       330.6739 66.81844 28.47422 66.81844 28.47422 0.000000       0.000000 
1 1 1 -22 0  8  o 347.3427 37.80591 11551.77       2175.066 11551.77       2175.066 11551.77       2175.066 347.3427 37.80591 347.3427 37.80591 0.000000       0.000000 
1 1 1 -22 0  9  o 64.53052 27.79082 525.6440       314.4458 525.6440       314.4458 525.6440       314.4458 64.53052 27.79082 64.53052 27.79082 0.000000       0.000000 
1 1 1 -22 0  10 o 183.1163 25.61640 3136.223       756.1350 3136.223       756.1350 3136.223       756.1350 183.1163 25.61640 183.1163 25.61640 0.000000       0.000000 
1 1 1 -22 0  11 o 59.60558 27.01226 457.2962       296.6003 457.2962       296.6003 457.2962       296.6003 59.60558 27.01226 59.60558 27.01226 0.000000       0.000000 
1 1 1 -22 0  12 o 47.28785 25.00722 289.7450       270.3495 289.7450       270.3495 289.7450       270.3495 47.28785 25.00722 47.28785 25.00722 0.000000       0.000000 
1 1 1 -22 0  13 o 109.6666 25.36693 1213.534       413.3573 1213.534       413.3573 1213.534       413.3573 109.6666 25.36693 109.6666 25.36693 0.000000       0.000000 
1 1 1 -22 0  14 o 239.6405 28.80878 5397.418       1133.812 5397.418       1133.812 5397.418       1133.812 239.6405 28.80878 239.6405 28.80878 0.000000       0.000000 
1 1 1 -22 0  15 o 113.6037 28.20970 1338.160       473.6105 1338.160       473.6105 1338.160       473.6105 113.6037 28.20970 113.6037 28.20970 -0.000000      0.000000 
1 1 1 -22 0  16 o 28.77077 18.90117 -29.28710      234.1997 -29.28710      234.1997 -29.28710      234.1997 28.77077 18.90117 28.77077 18.90117 0.000000       0.000000 
1 1 1 -22 0  17 o 54.89680 29.43164 403.6641       378.9787 403.6641       378.9787 403.6641       378.9787 54.89680 29.43164 54.89680 29.43164 0.000000       0.000000 
1 1 1 -22 0  18 o 106.6105 32.95264 1287.574       525.0978 1287.574       525.0978 1287.574       525.0978 106.6105 32.95264 106.6105 32.95264 0.000000       0.000000 
1 1 1 -22 0  19 o 37.74303 20.40505 181.6137       183.5949 181.6137       183.5949 181.6137       183.5949 37.74303 20.40505 37.74303 20.40505 0.000000       0.000000 
1 1 1 -22 0  20 o 36.43464 19.57414 169.8475       167.9570 169.8475       167.9570 169.8475       167.9570 36.43464 19.57414 36.43464 19.57414 0.000000       0.000000 
1 1 1 -22 0  21 o 47.00274 23.30843 294.1931       225.7349 294.1931       225.7349 294.1931       225.7349 47.00274 23.30843 47.00274 23.30843 0.000000       0.000000 
1 1 1 -22 0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  24 o 362.4598 12.19630 11476.11       752.9637 11476.11       752.9637 11476.11       752.9637 362.4598 12.19630 362.4598 12.19630 -0.000000      0.000000 
1 1 1 -22 0  25 o 93.11725 19.59465 862.9728       274.3000 862.9728       274.3000 862.9728       274.3000 93.11725 19.59465 93.11725 19.59465 0.000000       0.000000 
1 1 1 -22 0  26 o 190.0156 10.42811 3166.334       336.0445 3166.334       336.0445 3166.334       336.0445 190.0156 10.42811 190.0156 10.42811 -0.000000      0.000000 
1 1 1 -22 0  27 f 43.74558 25.57866 252.1964       318.8571 252.1964       318.8571 252.1964       318.8571 43.74558 25.57866 43.74558 25.57866 0.000000       0.000000 
1 1 1 -22 0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  30 f 54.99520 20.64340 381.2588       181.1017 381.2588       181.1017 381.2588       181.1017 54.99520 20.64340 54.99520 20.64340 0.000000       0.000000 
1 1 1 -22 0  31 o 31.99266 18.33005 140.5362       158.6698 140.5362       158.6698 140.5362       158.6698 31.99266 18.33005 31.99266 18.33005 0.000000       0.000000 
1 1 1 -22 0  32 o 26.42069 17.40878 13.83679       200.9242 13.83679       200.9242 13.83679       200.9242 26.42069 17.40878 26.42069 17.40878 -0.000000      0.000000 
1 1 1 -22 0  33 o 31.10184 18.80144 134.4979       183.3560 134.4979       183.3560 134.4979       183.3560 31.10184 18.80144 31.10184 18.80144 0.000000       0.000000 
1 1 1 -22 0  34 o 55.23605 18.18718 379.9720       152.2943 379.9720       152.2943 379.9720       152.2943 55.23605 18.18718 55.23605 18.18718 0.000000       0.000000 
1 1 1 -22 0  35 o 85.77620 11.91524 725.3350       164.9078 725.3350       164.9078 725.3350       164.9078 85.77620 11.91524 85.77620 11.91524 -0.000000      0.000000 
1 1 1 -22 0  36 o 26.57610 16.82675 93.35370       164.4065 93.35370       164.4065 93.35370       164.4065 26.57610 16.82675 26.57610 16.82675 -0.000000      0.000000 
1 1 1 -22 1  1  o 80.16090 5.876433 554.2642       79.88058 569.5717       111.7848 538.2908       114.1900 80.88410 8.206796 78.52118 8.660136 2.362923       11.93103 
1 1 1 -22 1  2  f 110.8695 5.218759 1053.500       98.80550 1005.743       137.1448 1105.039       142.4715 107.8584 7.492496 113.0950 7.418153 -5.236542      10.54355 
1 1 1 -22 1  3  o 70.35780 6.963022 429.5448       82.56065 445.6810       105.2709 403.7605       133.0718 71.34310 8.829353 67.13917 12.04946 4.203934       14.93810 
1 1 1 -22 1  4  o 78.65723 6.765317 535.3417       89.98745 467.8496       111.5160 661.3270       152.3598 73.06776 9.137127 86.76901 10.49603 -13.70126      13.91595 
1 1 1 -22 1  5  o 198.3458 5.515955 3372.584       186.8296 3078.607       250.6361 3740.203       280.2754 189.1333 7.760214 208.4432 7.874000 -19.30991      11.05535 
1 1 1 -22 1  6  o 115.5969 7.777285 1155.076       152.6310 1114.421       174.8192 1285.433       313.0390 113.2745 9.114786 119.8667 15.66814 -6.592133      18.12650 
1 1 1 -22 1  7  o 248.7992 7.972990 5329.011       338.7444 5277.510       372.4464 5575.565       814.9194 247.3680 8.816949 248.9254 19.32236 -1.557312      21.23894 
1 1 1 -22 1  8  o 238.6352 7.836341 4901.059       319.3373 4874.828       351.8723 5023.552       760.3804 237.7862 8.665555 236.4309 18.99353 1.355301       20.87693 
1 1 1 -22 1  9  o 214.2326 17.72086 4103.247       642.4742 4438.641       909.9047 3769.777       907.2925 218.3185 24.84913 199.3037 27.38157 19.01476       36.97607 
1 1 1 -22 1  10 o 180.5898 16.48220 2905.737       502.6875 2943.598       717.5616 2869.248       704.4351 177.6200 24.29421 175.4159 24.15714 2.204117       34.26042 
1 1 1 -22 1  11 o 57.42047 17.07557 297.5428       179.7636 385.8511       271.1559 228.2966       240.1136 65.69790 21.21760 54.58346 19.87306 11.11444       29.07104 
1 1 1 -22 1  12 o 120.0387 15.31440 1288.943       306.7701 1303.896       441.2154 1274.950       426.8196 117.7318 22.76948 116.6191 22.24424 1.112633       31.83167 
1 1 1 -22 1  13 o 113.4858 15.04428 1153.518       284.3648 1029.156       398.1347 1283.029       406.2946 104.0770 23.01255 117.3875 21.04121 -13.31049      31.18188 
1 1 1 -22 1  14 o 112.6231 16.34033 1147.365       305.0857 1318.630       409.9784 934.8326       456.7070 118.9170 20.95462 97.71806 26.63831 21.19889       33.89241 
1 1 1 -22 1  15 o 146.4022 16.09449 1925.705       395.7289 1842.202       557.7347 2010.362       561.5755 138.9068 24.40318 145.8690 23.33092 -6.962158      33.76162 
1 1 1 -22 1  16 o 142.6965 16.59138 1839.595       396.7471 1863.294       533.1545 1810.186       593.9218 140.2320 23.06624 136.1129 26.50546 4.119141       35.13674 
1 1 1 -22 1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 1  18 o 281.6992 22.42320 7450.730       1069.730 7190.736       1528.097 7700.585       1498.006 260.5134 35.25503 273.1206 32.77310 -12.60724      48.13515 
1 1 1 -22 1  19 o 30.57674 13.00297 7.000416       118.7241 -118.8472      346.4076 23.75043       126.3783 46.03559 20.77318 32.54538 13.60300 13.49021       24.83075 
1 1 1 -22 1  20 f 84.31120 13.12631 642.3724       182.8364 750.0225       245.3791 508.0028       274.1452 89.91000 16.59316 72.70794 20.94132 17.20206       26.71838 
1 1 1 -22 1  21 o 46.46490 14.98693 190.7274       135.3185 196.6810       190.2507 184.6317       192.5079 49.27583 17.72612 48.55405 17.77654 0.7217827      25.10419 
1 1 1 -22 1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 1  24 o 42.49954 17.43607 79.90476       202.4037 -5.192253      348.9561 123.0490       248.4707 49.02400 21.55834 47.87299 19.44217 1.151016       29.03033 
1 1 1 -22 1  25 o 89.62647 13.86405 737.7047       205.3418 561.8947       344.2162 834.8367       255.8532 74.54163 23.88820 94.16987 16.51230 -19.62823      29.03967 
1 1 1 -22 1  26 o 116.8082 10.85154 1220.834       213.9807 1050.053       279.9664 1460.750       331.8299 105.4757 16.04982 124.7565 15.94020 -19.28085      22.62049 
1 1 1 -22 1  27 o 66.04305 22.66246 453.4095       308.3864 0.000000       0.000000 453.4095       308.3864 ?        ?        66.04305 22.66246 0.000000       22.66246 
1 1 1 -22 1  28 o 88.87422 13.47943 748.3400       198.1545 596.3681       262.0234 951.3680       302.8561 74.79876 20.08838 95.97329 19.15038 -21.17453      27.75392 
1 1 1 -22 1  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 1  30 o 65.58327 20.54052 496.4080       255.7525 496.4080       255.7525 0.000000       0.000000 65.58327 20.54052 ?        ?        0.000000       20.54052 
1 1 1 -22 1  31 o 39.31116 14.49713 142.4006       128.3624 138.0276       158.7145 150.6697       218.2531 40.19001 15.79702 43.33294 17.97394 -3.142925      23.92923 
1 1 1 -22 1  32 o 35.40681 14.31313 94.20933       133.9975 188.9624       179.3897 -25.38854      201.5406 43.45277 16.87536 34.02035 15.54449 9.432415       22.94361 
1 1 1 -22 1  33 o 23.13539 10.91861 -86.74242      112.7051 -325.1526      185.1040 53.71427       142.0772 24.07077 11.93176 32.66763 14.06527 -8.596863      18.44448 
1 1 1 -22 1  34 o 20.04244 9.734295 -138.5737      104.9170 37.52404       163.8772 -260.8851      136.5762 32.44639 14.49189 20.44460 10.15387 12.00179       17.69509 
1 1 1 -22 1  35 o 34.52083 13.62684 119.1221       118.5745 -0.3336279     166.0688 243.3581       169.3589 30.43210 13.98079 43.52784 16.52528 -13.09574      21.64596 
1 1 1 -22 1  36 o 63.13749 11.88617 434.2895       123.4513 317.1414       173.3269 554.9059       175.8740 46.79978 16.90812 66.01022 15.81065 -19.21043      23.14868 
1 1 1 -22 2  1  o 138.5506 4.869610 1644.650       115.2138 1715.320       159.4868 1567.517       166.6211 141.2930 6.610011 134.7895 7.265729 6.503510       9.822579 
1 1 1 -22 2  2  o 195.2894 5.330412 3269.438       177.7630 3073.614       245.3723 3485.742       257.8838 188.9591 7.604239 201.2506 7.503865 -12.29144      10.68328 
1 1 1 -22 2  3  o 192.6002 5.368136 3179.994       176.5559 3084.433       234.5168 3305.018       268.2436 189.3719 7.251976 195.8677 8.019819 -6.495758      10.81243 
1 1 1 -22 2  4  o 137.3332 5.756526 1617.651       135.0013 1650.410       180.9495 1576.524       202.7456 138.2630 7.694358 134.8820 8.851393 3.381042       11.72818 
1 1 1 -22 2  5  o 248.9572 7.553065 5332.678       321.1070 5318.926       350.9503 5403.377       795.7352 248.4471 8.271985 244.9307 19.17812 3.516449       20.88602 
1 1 1 -22 2  6  o 80.10324 7.946290 557.7841       107.2624 560.1170       122.3516 550.0372       222.9591 80.05003 9.112899 77.29934 17.32005 2.750687       19.57113 
1 1 1 -22 2  7  o 173.0847 6.810290 2573.817       201.2919 2559.053       222.6593 2639.853       470.9044 172.4639 7.560328 172.1523 16.20921 0.3115692      17.88566 
1 1 1 -22 2  8  f 219.8632 7.025658 4154.644       263.7797 4245.370       292.2265 3755.523       612.9214 222.1033 7.704823 204.8125 17.69841 17.29076       19.30280 
1 1 1 -22 2  9  o 290.3881 9.045251 7279.255       448.5401 7153.301       489.6552 7936.187       1118.265 287.5273 9.972620 294.3995 22.41198 -6.872192      24.53059 
1 1 1 -22 2  10 o 162.1864 16.22530 2347.074       443.3462 2281.299       628.3253 2412.292       625.6555 155.8261 24.41441 160.8480 23.46924 -5.021927      33.86545 
1 1 1 -22 2  11 o 170.1132 16.44289 2585.075       471.7027 2535.088       665.9525 2635.405       668.2301 164.2212 24.49650 167.7804 24.00731 -3.559265      34.29912 
1 1 1 -22 2  12 o 86.65368 17.54207 691.0007       250.6734 649.1522       344.1100 738.3181       365.9044 82.70543 23.34457 87.91779 23.79242 -5.212364      33.33239 
1 1 1 -22 2  13 o 352.8017 26.07252 11754.46       1559.654 11675.71       2202.925 11833.61       2208.452 331.9643 39.64458 334.5811 39.40889 -2.616852      55.89950 
1 1 1 -22 2  14 f 322.0930 24.16717 9704.770       1319.567 9652.284       1863.779 9757.523       1868.528 305.1169 36.49482 306.9921 36.34848 -1.875153      51.50809 
1 1 1 -22 2  15 o 141.8189 16.71645 1816.442       397.0593 1911.538       561.6560 1721.433       561.3973 141.6385 24.08349 133.4046 25.57392 8.233917       35.12891 
1 1 1 -22 2  16 o 151.0446 15.94186 2052.177       404.9813 1896.250       594.9451 2186.811       552.8312 139.6272 25.90581 152.7695 21.81027 -13.14230      33.86442 
1 1 1 -22 2  17 o 202.9618 16.65378 3715.884       572.1169 4152.781       836.6599 3332.167       784.0875 209.0086 23.86947 185.8355 25.37066 23.17307       34.83421 
1 1 1 -22 2  18 o 107.7470 16.42233 1062.209       292.6091 897.5460       475.9832 1162.241       370.9902 94.25993 27.72285 110.9753 20.32549 -16.71537      34.37560 
1 1 1 -22 2  19 o 145.6670 8.974947 1848.108       222.1648 1311.831       514.6270 1970.944       246.2978 113.9532 26.88142 150.2191 9.652482 -36.26590      28.56189 
1 1 1 -22 2  20 o 111.1511 10.22372 1087.214       191.8796 1091.821       509.2589 1086.452       207.1459 102.6269 28.19267 110.8236 11.09470 -8.196777      30.29717 
1 1 1 -22 2  21 o 107.0287 13.04181 1029.109       233.4348 1070.258       300.1649 966.1372       371.3275 107.4537 16.91763 99.19463 22.44539 8.259033       28.10697 
1 1 1 -22 2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 2  23 o 117.6617 12.13083 1236.569       240.2446 1159.933       344.8705 1308.822       334.8648 110.5757 18.94554 118.6891 17.00795 -8.113388      25.45985 
1 1 1 -22 2  24 o 104.1981 12.69041 979.5400       221.1431 987.6075       318.2416 972.0070       307.5211 101.4307 19.07335 100.9126 18.52824 0.5181427      26.59114 
1 1 1 -22 2  25 o 31.86752 14.74173 -129.9950      189.2379 -143.4752      281.9627 -118.9463      255.2694 39.70847 18.23315 38.31881 17.50297 1.389652       25.27452 
1 1 1 -22 2  26 o 38.33181 16.19029 41.17807       182.0115 132.7172       313.9308 -5.173529      223.3896 51.10629 21.40680 39.55183 17.32427 11.55446       27.53872 
1 1 1 -22 2  27 o 39.57159 16.87257 44.43700       200.8626 141.9005       277.7022 -62.49663      290.8811 48.83762 20.26735 41.86711 18.95067 6.970509       27.74695 
1 1 1 -22 2  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 2  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 2  30 o 45.77382 15.90240 207.9540       152.0740 84.61058       248.9157 281.4105       192.0920 42.45736 18.44758 51.63382 17.87640 -9.176456      25.68811 
1 1 1 -22 2  31 o 36.12714 16.11094 15.25014       201.7016 15.25014       201.7016 0.000000       0.000000 36.12714 16.11094 ?        ?        0.000000       16.11094 
1 1 1 -22 2  32 o 31.00361 13.38056 31.59966       129.2000 291.2528       174.6465 -282.2815      192.0196 50.63769 17.05688 25.92349 12.71436 24.71420       21.27421 
1 1 1 -22 2  33 o 32.81309 13.09030 87.51334       110.4945 143.7217       165.1925 42.00458       148.6406 38.95016 15.83948 32.38499 14.15971 6.565166       21.24586 
1 1 1 -22 2  34 f 32.36371 13.48997 79.86349       123.8037 91.42178       174.5694 68.16766       175.6049 35.40674 15.41658 34.36290 15.19377 1.043846       21.64536 
1 1 1 -22 2  35 o 47.09824 12.40670 243.7878       101.1742 281.8690       140.4068 202.6595       145.9160 47.78191 15.25087 40.91266 15.38315 6.869247       21.66172 
1 1 1 -22 2  36 o 24.95892 11.73265 -49.26120      127.8369 4.535459       155.1658 -162.9338      225.5517 29.01754 13.39711 28.36485 13.88415 0.6526833      19.29384 
1 1 1 -22 3  1  o 148.7287 5.297277 1896.564       134.5394 1729.576       177.1227 2124.316       206.8532 141.5725 7.351747 157.0412 7.713414 -15.46870      10.65575 
1 1 1 -22 3  2  o 65.51582 7.641551 374.4875       83.88654 318.9329       106.9630 463.2528       135.2058 59.71645 10.89036 72.16247 11.34641 -12.44601      15.72708 
1 1 1 -22 3  3  o 152.1760 5.368759 1985.396       139.5154 1948.438       188.4070 2030.266       207.5948 150.4866 7.331573 153.3102 7.956815 -2.823532      10.81956 
1 1 1 -22 3  4  o 237.3771 6.964183 4844.251       282.3001 4925.951       308.4436 4422.671       700.6567 239.2272 7.550283 221.4949 18.69901 17.73228       20.16580 
1 1 1 -22 3  5  o 260.9713 7.907190 5865.838       352.3846 5802.794       384.4105 6197.605       881.8369 259.3352 8.680242 261.6648 19.88393 -2.329559      21.69602 
1 1 1 -22 3  6  o 309.8640 8.727487 8284.384       461.8089 8212.076       502.8629 8673.763       1166.928 308.1903 9.554958 307.6266 22.36663 0.5636597      24.32208 
1 1 1 -22 3  7  o 322.8779 9.286561 9007.488       512.0297 8864.829       556.5063 9794.472       1307.087 319.9276 10.18630 325.6355 23.66739 -5.707977      25.76637 
1 1 1 -22 3  8  o 115.7169 7.163379 1155.789       140.8562 1116.304       156.9402 1319.349       319.4131 113.5341 8.149003 121.3106 15.79330 -7.776512      17.77173 
1 1 1 -22 3  9  f 194.5778 7.380817 3257.431       245.2447 3246.362       273.4235 3302.983       554.6631 194.0627 8.250721 192.1120 17.08558 1.950684       18.97344 
1 1 1 -22 3  10 o 210.2658 7.529553 3805.546       270.3583 3852.487       301.9840 3615.991       606.8414 211.3591 8.366835 200.5563 17.90726 10.80275       19.76547 
1 1 1 -22 3  11 o 119.0878 8.555028 1229.943       172.8173 1318.509       189.2974 786.7078       423.4754 123.2085 9.060658 90.25574 26.03645 32.95277       27.56796 
1 1 1 -22 3  12 o 269.1845 20.70036 6615.719       944.2522 6351.155       1325.784 6888.078       1345.176 253.6766 31.26662 265.3971 30.22005 -11.72050      43.48394 
1 1 1 -22 3  13 f 107.5744 16.82128 1052.495       298.8874 1176.966       414.7247 917.9785       431.1338 111.4297 22.56871 97.07561 25.62989 14.35404       34.15022 
1 1 1 -22 3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 3  15 o 145.8794 14.78576 1900.943       363.2436 2194.492       551.6909 1676.298       482.6184 153.2050 21.69359 133.4703 21.93706 19.73474       30.85201 
1 1 1 -22 3  16 o 256.0653 19.75785 6016.285       857.2775 6283.355       1228.076 5762.449       1197.258 252.0041 29.07070 240.4617 29.79489 11.54245       41.62741 
1 1 1 -22 3  17 o 46.81642 15.34099 189.8706       141.4998 291.8939       263.4796 148.5193       167.7422 58.88581 20.89451 44.85944 16.56661 14.02636       26.66521 
1 1 1 -22 3  18 o 139.2549 9.980417 1696.513       235.7608 2134.458       572.1896 1606.959       258.7454 149.1402 23.22276 135.0445 11.32458 14.09573       25.83685 
1 1 1 -22 3  19 o 93.37835 11.83416 777.3431       184.4713 978.1674       436.5178 733.6806       203.5394 98.61378 25.67134 90.05541 13.66444 8.558372       29.08152 
1 1 1 -22 3  20 o 192.4794 17.34717 3395.330       564.0570 3577.170       833.8002 3241.895       765.9111 189.5173 26.48775 181.2988 25.43917 8.218475       36.72536 
1 1 1 -22 3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 3  23 o 133.1420 12.61715 1587.392       283.4418 0.000000       0.000000 1587.392       283.4418 ?        ?        133.1420 12.61715 0.000000       12.61715 
1 1 1 -22 3  24 o 157.8583 10.93286 2207.133       292.9011 0.000000       0.000000 2207.133       292.9011 ?        ?        157.8583 10.93286 0.000000       10.93286 
1 1 1 -22 3  25 o 57.17088 16.53379 311.4170       170.5767 755.6992       350.1709 173.1946       195.3169 85.43266 23.34033 47.28494 17.79406 38.14772       29.34961 
1 1 1 -22 3  26 o 74.36909 13.43761 516.4290       164.3733 519.6636       322.8234 515.2969       190.9843 70.56133 23.17413 73.21313 15.74368 -2.651802      28.01613 
1 1 1 -22 3  27 o 36.95299 15.96302 20.77464       184.2289 34.42469       280.1946 10.37975       244.5133 44.29304 19.40161 41.05826 18.05092 3.234776       26.50016 
1 1 1 -22 3  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 3  29 o 27.04744 12.81680 -147.3251      158.2607 -539.2071      274.8232 47.10792       193.5802 28.98000 14.39480 38.05306 16.40081 -9.073063      21.82193 
1 1 1 -22 3  30 o 49.95979 15.81006 259.3393       151.1401 153.4132       204.1257 387.8831       224.8651 43.42806 17.62726 58.49705 19.34738 -15.06898      26.17330 
1 1 1 -22 3  31 o 47.83400 15.14824 240.9176       138.7320 -90.33967      227.1996 437.8579       175.1831 34.01347 15.87601 63.65121 16.10441 -29.63774      22.61415 
1 1 1 -22 3  32 o 42.11171 14.73623 184.7554       130.7005 136.5892       178.2980 240.6996       192.1556 39.81695 16.35360 46.48714 17.61348 -6.670197      24.03487 
1 1 1 -22 3  33 o 35.33204 13.42856 119.5677       111.9103 5.450346       166.0354 214.5698       151.4926 31.67451 14.32907 43.43093 15.78944 -11.75642      21.32202 
1 1 1 -22 3  34 o 29.98384 12.90027 48.58628       119.3383 131.2053       162.8355 -47.27922      175.4043 36.93295 15.43924 29.65888 13.87818 7.274075       20.75991 
1 1 1 -22 3  35 o 39.88955 14.28512 187.6546       123.4254 158.9840       176.7188 214.9596       172.4588 37.86431 15.97083 41.10824 16.36826 -3.243931      22.86892 
1 1 1 -22 3  36 o 26.91704 11.91981 27.53464       108.4850 -49.21217      133.2114 178.6708       186.9370 25.33899 11.93164 37.60661 16.16193 -12.26762      20.08910 
1 1 1 -22 4  1  o 137.1642 16.92299 1698.254       387.9822 2069.082       581.3543 1400.451       520.9770 148.0028 23.80953 120.0579 26.15143 27.94496       35.36652 
1 1 1 -22 4  2  o 65.67059 10.13441 382.2399       109.9929 332.4614       118.3490 697.8702       298.0114 60.77331 11.82941 86.10065 20.55338 -25.32734      23.71448 
1 1 1 -22 4  3  f 154.2418 6.426184 2043.808       169.2611 2013.049       186.0618 2191.425       407.6042 152.9699 7.122778 156.7768 15.42460 -3.806885      16.98977 
1 1 1 -22 4  4  o 232.2951 7.174898 4642.209       284.6149 4676.675       311.8209 4470.154       696.7050 232.9869 7.837397 222.6332 18.49294 10.35370       20.08516 
1 1 1 -22 4  5  o 158.1647 6.561465 2149.366       177.2198 2118.792       195.6633 2288.990       418.1330 156.9191 7.301830 160.2950 15.46745 -3.375992      17.10435 
1 1 1 -22 4  6  o 138.5392 6.751279 1649.661       159.7206 1670.492       179.2938 1569.578       351.5488 139.0911 7.577125 132.3353 15.87309 6.755859       17.58886 
1 1 1 -22 4  7  o 245.2767 7.112901 5174.391       297.9237 5236.292       325.5096 4854.920       739.4855 246.5768 7.730537 231.9167 18.83493 14.66011       20.35966 
1 1 1 -22 4  8  o 246.2502 8.396648 5230.599       353.0893 4985.017       384.7566 6540.954       888.7555 240.0969 9.384207 268.8704 19.48928 -28.77347      21.63089 
1 1 1 -22 4  9  o 181.2862 6.960605 2826.054       215.4833 2838.228       238.4286 2771.781       503.4306 181.5346 7.691250 175.7781 16.98310 5.756531       18.64352 
1 1 1 -22 4  10 o 229.3288 7.783340 4531.052       304.8081 4419.032       332.6331 5117.833       761.2977 226.2497 8.609453 237.9396 18.89182 -11.68994      20.76111 
1 1 1 -22 4  11 f 337.8152 8.827124 9859.684       509.2139 9978.916       555.5065 9232.422       1274.136 339.4962 9.581917 314.7439 23.88399 24.75229       25.73437 
1 1 1 -22 4  12 o 85.77589 13.30570 659.4437       188.5832 555.8636       211.6431 1058.579       415.4569 77.70833 16.46106 105.0132 23.72677 -27.30486      28.87778 
1 1 1 -22 4  13 o 136.2241 8.686658 1610.133       201.0198 1610.133       201.0198 0.000000       0.000000 136.2241 8.686658 ?        ?        0.000000       8.686658 
1 1 1 -22 4  14 o 119.4606 14.19744 1275.823       283.9544 1592.624       445.2208 1058.599       368.6687 130.6869 20.63480 105.8603 21.13409 24.82668       29.53718 
1 1 1 -22 4  15 o 151.5593 15.54319 2063.348       396.5846 2010.285       577.3852 2110.741       545.6685 144.7503 24.21376 149.7838 21.98806 -5.033493      32.70750 
1 1 1 -22 4  16 o 147.9030 14.73331 1959.302       367.1642 2365.413       556.9219 1647.087       488.3135 159.0469 21.02041 131.4850 22.56042 27.56194       30.83554 
1 1 1 -22 4  17 o 93.57710 11.79228 778.9282       184.2540 1030.750       381.5809 702.3596       210.4095 103.3642 22.27471 87.88748 14.52717 15.47672       26.59326 
1 1 1 -22 4  18 o 173.7202 8.306639 2613.288       246.4209 2331.317       623.7640 2665.433       268.2403 154.8423 24.39759 175.0115 9.005961 -20.16920      26.00673 
1 1 1 -22 4  19 f 266.3994 20.38107 6631.427       920.1418 7169.041       1318.737 6121.373       1284.493 264.9163 29.65952 241.7310 31.89592 23.18523       43.55498 
1 1 1 -22 4  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 4  22 o 78.39754 19.24132 592.6962       255.6799 0.000000       0.000000 592.6962       255.6799 ?        ?        78.39754 19.24132 0.000000       19.24132 
1 1 1 -22 4  23 o 46.46769 18.79386 116.6217       231.1499 0.000000       0.000000 116.6217       231.1499 ?        ?        46.46769 18.79386 0.000000       18.79386 
1 1 1 -22 4  24 o 178.5749 10.65589 2821.015       323.4659 0.000000       0.000000 2821.015       323.4659 ?        ?        178.5749 10.65589 0.000000       10.65589 
1 1 1 -22 4  25 f 87.56110 12.84276 703.2336       186.3237 827.3584       297.1861 622.8431       239.1673 91.29868 19.64418 79.82289 17.97794 11.47578       26.62893 
1 1 1 -22 4  26 o 82.05053 13.56231 630.4415       183.3886 448.9112       321.3145 718.1440       223.3376 65.88310 23.10251 86.47085 15.70320 -20.58775      27.93415 
1 1 1 -22 4  27 o 31.16188 14.55913 -136.6664      191.8057 -408.9695      284.8624 89.17918       259.4267 32.45993 15.82672 44.93315 19.16730 -12.47322      24.85700 
1 1 1 -22 4  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 4  29 o 33.48392 14.76464 1.714784       164.7160 -123.3864      238.4644 115.8661       227.7893 34.79151 16.24778 43.12072 18.15712 -8.329212      24.36537 
1 1 1 -22 4  30 o 61.01857 14.41256 381.2173       147.7836 380.6246       248.3117 381.5424       183.8991 57.09639 20.28154 59.07693 17.19111 -1.980541      26.58712 
1 1 1 -22 4  31 o 21.33310 10.54005 -265.2046      140.2169 -261.0807      215.7457 -268.2204      184.4948 28.55027 13.88775 25.71709 12.58153 2.833179       18.73938 
1 1 1 -22 4  32 o 121.6213 7.184398 1338.436       148.5491 1635.292       220.3366 1091.067       201.1343 131.2381 9.904578 105.4701 11.34594 25.76801       15.06091 
1 1 1 -22 4  33 o 55.36964 12.53785 324.1459       115.7935 366.7924       170.9087 287.9591       157.4335 54.55860 16.74295 48.79134 16.19108 5.767265       23.29115 
1 1 1 -22 4  34 o 48.40556 16.35389 297.8659       160.5520 297.8659       160.5520 0.000000       0.000000 48.40556 16.35389 ?        ?        0.000000       16.35389 
1 1 1 -22 4  35 o 31.35714 13.61121 68.85844       135.2442 37.31445       164.9264 133.6160       236.3074 31.33848 14.21903 37.33573 16.97090 -5.997250      22.14029 
1 1 1 -22 5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 5  2  o 67.45096 20.00586 421.3049       246.9956 182.2071       500.6032 498.2398       283.9667 65.11139 27.13200 72.92137 21.40324 -7.809982      34.55784 
1 1 1 -22 5  3  o 59.51835 9.976792 315.0919       97.81277 292.9104       110.0367 398.6184       213.5273 56.97235 11.70184 65.61447 18.34329 -8.642120      21.75797 
1 1 1 -22 5  4  o 193.9294 6.979230 3235.313       231.1283 3222.014       242.0496 3372.797       778.2325 193.4567 7.326873 188.8956 24.71908 4.561066       25.78209 
1 1 1 -22 5  5  o 63.83632 8.670215 358.1714       92.06929 360.6588       101.6839 346.8532       216.9083 63.85849 9.623406 61.73125 18.84797 2.127235       21.16261 
1 1 1 -22 5  6  o 272.0508 8.038961 6381.863       373.4667 6306.117       406.6393 6790.118       944.0490 270.1641 8.814137 272.8169 20.41173 -2.652740      22.23348 
1 1 1 -22 5  7  o 209.7412 7.180300 3785.769       257.1747 3716.193       281.2514 4140.738       635.2736 207.6257 7.932530 214.6407 17.48385 -7.015030      19.19922 
1 1 1 -22 5  8  o 101.4209 7.386565 890.2444       127.0506 879.9591       145.3847 923.4837       261.3573 100.6024 8.543501 101.0543 15.65135 -0.4519196     17.83132 
1 1 1 -22 5  9  o 47.25041 10.50430 201.3170       82.56127 230.1943       94.25700 106.1351       171.1247 50.46950 11.22653 42.33935 16.47114 8.130146       19.93323 
1 1 1 -22 5  10 o 81.19586 8.747451 576.1201       119.3733 600.8734       136.6100 496.1769       245.5030 82.68999 9.869487 72.77773 19.40080 9.912262       21.76690 
1 1 1 -22 5  11 o 29.43164 12.09040 26.76796       97.47701 -8.569139      102.5318 358.8787       314.3291 27.58290 11.91203 64.80217 22.84025 -37.21928      25.75992 
1 1 1 -22 5  12 o 62.87672 10.02220 351.2760       103.9978 409.8289       135.4873 267.3007       162.2557 67.47908 12.20721 54.32993 16.23783 13.14915       20.31460 
1 1 1 -22 5  13 o 213.5967 6.898211 3927.331       251.6129 4045.791       267.1996 2999.922       747.6295 216.7101 7.220290 176.6145 25.52987 40.09567       26.53125 
1 1 1 -22 5  14 o 185.6859 8.306995 2980.175       263.4055 2965.350       282.4377 3079.189       729.9098 185.0462 8.938004 179.4657 24.45354 5.580490       26.03582 
1 1 1 -22 5  15 o 210.4352 7.593756 3821.652       272.8833 3871.385       289.6191 3428.268       814.5504 211.6725 8.012366 187.6980 26.12105 23.97450       27.32229 
1 1 1 -22 5  16 o 39.88753 14.63920 116.9903       130.6673 186.8436       298.5828 100.4433       145.3219 54.66492 21.60942 39.71727 15.25290 14.94766       26.45029 
1 1 1 -22 5  17 o 145.5044 10.43227 1856.608       257.4926 2172.304       579.8796 1779.072       287.3787 150.1711 23.37276 141.8266 11.97778 8.344574       26.26315 
1 1 1 -22 5  18 o 333.8317 46.34776 13833.73       2570.871 13833.73       2570.871 0.000000       0.000000 333.8317 46.34776 ?        ?        0.000000       46.34776 
1 1 1 -22 5  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 5  21 o 85.79787 18.34333 700.2961       260.6127 0.000000       0.000000 700.2961       260.6127 ?        ?        85.79787 18.34333 0.000000       18.34333 
1 1 1 -22 5  22 o 156.3448 11.19535 2164.811       296.9196 0.000000       0.000000 2164.811       296.9196 ?        ?        156.3448 11.19535 0.000000       11.19535 
1 1 1 -22 5  23 o 106.1254 15.10590 1038.485       266.0318 0.000000       0.000000 1038.485       266.0318 ?        ?        106.1254 15.10590 0.000000       15.10590 
1 1 1 -22 5  24 o 94.38832 15.84595 838.4058       246.3591 0.000000       0.000000 838.4058       246.3591 ?        ?        94.38832 15.84595 0.000000       15.84595 
1 1 1 -22 5  25 o 208.6211 8.162959 3809.912       290.8089 3570.979       451.7909 3978.940       379.9960 197.4578 13.47920 211.4833 10.52207 -14.02553      17.09978 
1 1 1 -22 5  26 o 50.00167 16.65035 238.3222       166.4388 154.4888       257.2511 298.6800       218.2808 48.13510 19.69202 55.23129 19.05980 -7.096195      27.40532 
1 1 1 -22 5  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 5  28 o 33.07833 14.60500 -5.156774      161.6945 -156.6467      263.2518 86.61931       204.9011 35.91950 16.86944 40.78543 17.19977 -4.865925      24.09171 
1 1 1 -22 5  29 o 45.24270 15.54114 203.3889       145.0449 224.1431       225.1741 188.6705       189.6252 48.21568 18.85599 45.14605 17.40111 3.069622       25.65827 
1 1 1 -22 5  30 o 40.86962 15.67461 152.5687       153.3423 380.5706       241.3718 -1.726369      198.5607 56.58216 20.00709 35.21179 15.82311 21.37037       25.50793 
1 1 1 -22 5  31 o 62.82627 13.01429 402.1707       135.0330 488.4370       230.2453 356.9430       166.7141 62.87175 19.45640 56.39761 16.35574 6.474148       25.41775 
1 1 1 -22 5  32 o 89.58302 9.061913 757.2316       136.7202 632.6189       215.2186 841.5457       177.0308 72.86003 17.51417 91.90594 11.53389 -19.04591      20.97085 
1 1 1 -22 5  33 o 31.83096 12.91761 82.49108       109.5985 -116.9336      162.0443 250.6339       148.7934 26.56238 12.69410 45.62612 15.73680 -19.06374      20.21848 
1 1 1 -22 5  34 o 61.45016 13.08892 415.4947       133.1433 286.6621       162.3862 679.7624       232.5724 47.01682 16.42716 70.10687 18.96692 -23.09006      25.09174 
1 1 1 -22 5  35 f 35.66422 15.23549 137.7382       164.3400 137.7382       164.3400 0.000000       0.000000 35.66422 15.23549 ?        ?        0.000000       15.23549 
1 1 1 -22 6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  4  o 44.09573 16.85747 126.5052       177.0038 8.743964       456.6116 147.3306       192.0181 57.28633 24.93819 46.49223 17.60915 10.79411       30.52860 
1 1 1 -22 6  5  o 177.1445 6.431470 2697.365       194.5538 2728.389       214.3145 2552.022       463.8726 178.0406 7.049051 168.5885 16.31685 9.452057       17.77438 
1 1 1 -22 6  6  o 320.5512 8.871925 8885.786       485.6431 8796.938       527.4996 9379.925       1244.006 318.5526 9.697038 317.3050 23.11750 1.247559       25.06893 
1 1 1 -22 6  7  o 257.7258 7.910401 5729.234       348.1436 5595.235       378.8404 6457.019       882.8880 254.4178 8.719805 266.2378 19.55618 -11.81992      21.41212 
1 1 1 -22 6  8  o 192.0665 6.689902 3172.955       219.4185 3186.585       239.3877 3101.328       548.7573 192.3472 7.288095 185.2389 17.55753 7.108276       19.01008 
1 1 1 -22 6  9  o 121.5082 7.230985 1275.980       149.3613 1219.197       162.9391 1574.721       373.7328 118.5825 8.094794 131.7389 17.01021 -13.15648      18.83807 
1 1 1 -22 6  10 o 87.67428 7.545167 667.4014       111.8643 660.4907       122.9641 700.5788       269.4254 87.04878 8.375438 86.54944 18.76986 0.4993439      20.55372 
1 1 1 -22 6  11 o 190.7094 6.471763 3127.919       210.7641 3219.711       233.5476 2725.123       489.2349 193.3520 7.073345 173.8267 16.68665 19.52525       18.12392 
1 1 1 -22 6  12 o 26.74227 10.92254 24.12330       78.98462 -12.51934      99.92249 85.14889       128.9513 26.93633 11.69591 37.26088 14.35309 -10.32455      18.51501 
1 1 1 -22 6  13 o 65.60846 8.479234 378.2796       92.77600 465.4587       109.9428 162.6543       172.9062 72.75814 9.043898 46.22548 16.85886 26.53267       19.13147 
1 1 1 -22 6  14 o 230.8795 6.855687 4591.979       270.2952 4899.316       291.8309 2737.173       716.9241 238.3822 7.168950 167.4814 25.90314 70.90076       26.87688 
1 1 1 -22 6  15 o 170.1958 6.603156 2494.511       191.9121 2865.266       256.6103 2023.951       289.0935 181.9691 8.257990 151.7001 11.23961 30.26904       13.94716 
1 1 1 -22 6  16 o 75.04234 25.56337 533.2004       392.3240 533.2004       392.3240 0.000000       0.000000 75.04234 25.56337 ?        ?        0.000000       25.56337 
1 1 1 -22 6  17 o 55.08369 22.87772 133.5189       354.2486 133.5189       354.2486 0.000000       0.000000 55.08369 22.87772 ?        ?        0.000000       22.87772 
1 1 1 -22 6  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  20 o 188.1116 10.66291 3111.970       341.1169 0.000000       0.000000 3111.970       341.1169 ?        ?        188.1116 10.66291 0.000000       10.66291 
1 1 1 -22 6  21 o 104.5671 15.00860 1003.529       260.3180 0.000000       0.000000 1003.529       260.3180 ?        ?        104.5671 15.00860 0.000000       15.00860 
1 1 1 -22 6  22 o 114.3860 14.16037 1192.725       270.6876 0.000000       0.000000 1192.725       270.6876 ?        ?        114.3860 14.16037 0.000000       14.16037 
1 1 1 -22 6  23 o 52.33930 19.45108 226.3465       231.9620 0.000000       0.000000 226.3465       231.9620 ?        ?        52.33930 19.45108 0.000000       19.45108 
1 1 1 -22 6  24 o 50.58279 20.23538 177.7599       264.7956 0.000000       0.000000 177.7599       264.7956 ?        ?        50.58279 20.23538 0.000000       20.23538 
1 1 1 -22 6  25 f 105.9928 13.96755 1053.598       246.6548 0.000000       0.000000 1053.598       246.6548 ?        ?        105.9928 13.96755 0.000000       13.96755 
1 1 1 -22 6  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  28 o 60.67353 15.30350 376.9238       158.5394 282.6227       259.1756 433.3079       200.4076 52.52241 20.31562 63.43116 17.78423 -10.90875      27.00006 
1 1 1 -22 6  29 o 27.95182 12.70683 -42.78996      132.5229 99.46932       220.7908 -122.9023      165.6877 41.17430 17.62614 28.20286 13.28828 12.97145       22.07395 
1 1 1 -22 6  30 o 68.89545 11.84277 464.9755       134.3082 876.4008       235.0034 265.4060       163.6725 91.11017 15.66943 49.27695 16.51272 41.83322       22.76403 
1 1 1 -22 6  31 o 55.31166 13.61737 323.8497       127.7609 485.3026       225.9867 248.0055       154.8893 61.75204 19.30298 46.92311 16.06188 14.82893       25.11153 
1 1 1 -22 6  32 o 37.32423 14.20754 141.5949       125.3915 136.3251       219.9196 144.1333       152.6322 39.57038 17.26442 38.13792 15.32548 1.432465       23.08529 
1 1 1 -22 6  33 o 40.86406 14.53655 191.4809       127.6051 199.7382       163.2043 178.4934       204.6802 41.15348 16.06438 40.19992 17.08365 0.9535561      23.45028 
1 1 1 -22 6  34 o 32.61478 13.41663 97.69027       120.2420 127.6662       150.8154 45.39281       199.2046 35.45426 14.84299 33.36636 15.32268 2.087902       21.33304 
1 1 1 -22 6  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  1  o 124.8812 5.882614 1339.426       125.4496 1271.062       151.9862 1485.562       222.2128 121.2317 7.376597 130.4184 10.05525 -9.186646      12.47085 
1 1 1 -22 7  2  f 54.93334 8.829014 267.2823       80.01743 247.4173       92.70304 325.3324       158.4715 52.41984 10.71774 59.46588 15.46145 -7.046040      18.81293 
1 1 1 -22 7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  6  o 94.14483 16.38495 811.2426       253.8485 540.3926       489.3580 910.9575       296.9220 77.97643 28.37364 99.18379 18.20147 -21.20737      33.70990 
1 1 1 -22 7  7  o 133.8438 25.15557 1735.646       553.8474 0.000000       0.000000 1735.646       553.8474 ?        ?        133.8438 25.15557 0.000000       25.15557 
1 1 1 -22 7  8  o 130.0788 20.08670 1574.454       431.8159 1583.197       614.7937 1565.942       606.6476 125.0481 29.30250 124.5016 29.06265 0.5464630      41.27074 
1 1 1 -22 7  9  f 218.0264 12.56961 4185.257       466.0020 4650.201       1003.669 4057.483       526.1525 218.0922 27.56488 213.5945 14.51119 4.497711       31.15121 
1 1 1 -22 7  10 o 176.0464 7.618516 2674.010       229.0338 2522.085       252.5875 3376.536       543.1614 170.4894 8.704871 193.4918 16.59930 -23.00241      18.74331 
1 1 1 -22 7  11 o 114.9935 12.42225 1173.439       240.0605 1856.342       564.8145 1022.876       265.2070 138.3290 24.82272 106.3469 15.02172 31.98212       29.01412 
1 1 1 -22 7  12 o 91.49194 14.62982 759.7044       220.8715 890.8215       527.6684 731.8514       243.2023 93.63112 29.53143 89.04789 16.60428 4.583229       33.87931 
1 1 1 -22 7  13 f 139.1299 12.66710 1716.971       297.6573 1935.174       562.5651 1632.133       350.7815 141.3768 24.17040 134.3534 15.57833 7.023331       28.75574 
1 1 1 -22 7  14 o 52.18693 20.81277 159.4626       279.2402 82.46138       454.4598 206.1664       353.9344 58.73857 25.22037 58.25903 23.36336 0.4795456      34.37897 
1 1 1 -22 7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  18 o 50.60764 20.16016 153.3291       261.7316 0.000000       0.000000 153.3291       261.7316 ?        ?        50.60764 20.16016 0.000000       20.16016 
1 1 1 -22 7  19 o 113.9166 11.22962 1151.519       215.6093 1428.682       290.6228 812.2202       321.5530 125.8857 13.74246 91.23843 21.06464 34.64726       25.15103 
1 1 1 -22 7  20 f 200.5678 10.61012 3542.142       362.1062 0.000000       0.000000 3542.142       362.1062 ?        ?        200.5678 10.61012 0.000000       10.61012 
1 1 1 -22 7  21 o 181.0572 10.71491 2896.076       329.8140 0.000000       0.000000 2896.076       329.8140 ?        ?        181.0572 10.71491 0.000000       10.71491 
1 1 1 -22 7  22 o 62.00384 21.76757 362.0015       285.2936 0.000000       0.000000 362.0015       285.2936 ?        ?        62.00384 21.76757 0.000000       21.76757 
1 1 1 -22 7  23 o 69.27494 18.75585 478.1035       227.3247 0.000000       0.000000 478.1035       227.3247 ?        ?        69.27494 18.75585 0.000000       18.75585 
1 1 1 -22 7  24 o 103.2492 14.34804 1004.005       246.1393 0.000000       0.000000 1004.005       246.1393 ?        ?        103.2492 14.34804 0.000000       14.34804 
1 1 1 -22 7  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 7  27 o 33.91494 15.15495 -17.65140      179.4423 49.81462       276.9768 -66.45057      235.5630 43.02261 19.04930 36.43248 16.70551 6.590126       25.33673 
1 1 1 -22 7  28 o 36.16253 15.27731 64.53312       162.1186 -211.8246      250.4260 263.9074       212.7053 32.90045 15.73891 50.15567 18.62885 -17.25523      24.38744 
1 1 1 -22 7  29 f 39.92178 15.21367 145.7048       143.8828 -12.05762      224.6768 255.3865       187.3371 36.42810 16.55435 48.60513 17.57545 -12.17703      24.14421 
1 1 1 -22 7  30 o 75.80075 12.14968 572.1728       151.9558 734.0999       242.0031 466.7747       195.2439 79.29671 18.25019 63.30954 17.48310 15.98717       25.27307 
1 1 1 -22 7  31 o 40.03145 15.16543 168.7759       142.4410 202.2620       233.6916 148.9808       179.6758 43.32426 18.32470 39.52457 16.34418 3.799683       24.55457 
1 1 1 -22 7  32 o 37.00865 14.59222 139.7562       135.8258 -104.8975      218.0277 294.9273       173.6365 30.84216 14.73526 48.06414 16.97198 -17.22198      22.47613 
1 1 1 -22 7  33 o 61.80883 13.68365 429.6989       140.6145 369.7401       169.6881 561.1089       251.2112 53.17678 16.74366 59.38219 20.44960 -6.205414      26.42984 
1 1 1 -22 7  34 o 55.51635 13.32455 357.0097       124.7147 384.0714       157.8302 312.0244       203.4927 53.87369 15.99522 44.99514 17.82288 8.878544       23.94790 
1 1 1 -22 8  1  o 202.0128 5.911027 3506.746       203.9125 3308.752       261.1243 3816.178       326.4409 195.7624 7.811168 209.8201 9.110781 -14.05763      12.00086 
1 1 1 -22 8  2  o 72.22379 8.209968 456.3595       99.45732 461.0620       117.1085 444.1911       188.3837 72.25353 9.739486 69.20644 16.22260 3.047096       18.92169 
1 1 1 -22 8  3  o 127.6676 5.792147 1399.995       126.2764 1547.496       160.1091 1157.250       205.3973 133.8572 7.029021 114.8170 10.59531 19.04020       12.71486 
1 1 1 -22 8  4  o 146.8727 5.882756 1853.016       147.5447 1917.281       182.6393 1732.285       250.3339 149.1798 7.169394 140.7184 10.49302 8.461411       12.70841 
1 1 1 -22 8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  16 o 60.97313 21.46496 326.3262       277.5350 0.000000       0.000000 326.3262       277.5350 ?        ?        60.97313 21.46496 0.000000       21.46496 
1 1 1 -22 8  17 o 68.67290 14.61904 436.9791       166.1783 592.5020       213.9672 200.5692       263.8049 79.62223 16.28575 53.10983 20.50930 26.51241       26.18887 
1 1 1 -22 8  18 o 40.17611 16.35346 72.69881       176.2978 249.9800       211.4975 -330.9599      319.1398 53.72103 18.74862 38.10904 18.09960 15.61199       26.05967 
1 1 1 -22 8  19 o 48.85057 16.77511 206.4574       168.9858 415.2237       226.6267 -54.97512      253.6067 65.75860 19.06923 40.63799 18.09815 25.12061       26.29027 
1 1 1 -22 8  20 o 108.8518 10.18326 1049.993       187.0892 991.9141       264.3143 1108.310       264.8546 103.4050 15.44159 109.9104 14.46247 -6.505318      21.15670 
1 1 1 -22 8  21 o 150.6090 8.095778 1983.253       207.4508 1796.790       301.0474 2151.860       286.2696 140.9797 12.63900 155.4749 10.85037 -14.49521      16.65757 
1 1 1 -22 8  22 o 123.7383 9.005651 1353.453       188.9868 1070.578       282.7987 1581.726       254.0432 106.0826 16.11822 132.5395 11.33330 -26.45686      19.70382 
1 1 1 -22 8  23 o 86.24228 16.72436 729.5534       237.4151 0.000000       0.000000 729.5534       237.4151 ?        ?        86.24228 16.72436 0.000000       16.72436 
1 1 1 -22 8  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 8  26 o 46.85318 19.15927 175.0635       243.3875 0.000000       0.000000 175.0635       243.3875 ?        ?        46.85318 19.15927 0.000000       19.15927 
1 1 1 -22 8  27 o 37.18301 15.68837 71.44640       170.6089 -140.7814      278.8501 198.4226       215.6905 36.68004 17.26919 46.37976 18.35626 -9.699718      25.20272 
1 1 1 -22 8  28 o 28.39995 13.08413 -63.22112      146.8550 -66.74214      244.1167 -61.22421      183.8411 35.97691 16.67814 31.81394 14.65044 4.162968       22.19901 
1 1 1 -22 8  29 o 52.30661 14.20569 290.1286       130.1682 729.7875       231.4927 86.84168       157.4107 80.52003 17.34765 36.17080 15.15495 44.34922       23.03505 
1 1 1 -22 8  30 f 39.62549 14.39928 163.1625       125.9701 -4.892855      232.9242 232.6366       149.7614 35.59395 16.42667 45.33170 15.77920 -9.737743      22.77759 
1 1 1 -22 8  31 o 39.29825 14.29151 167.8320       124.1264 437.3940       233.7335 61.94690       146.4903 55.18943 19.66937 32.77346 14.19587 22.41597       24.25710 
1 1 1 -22 8  32 o 71.97032 10.86448 525.2950       129.3683 839.9264       225.1287 370.1781       158.0736 83.67972 16.34089 54.79535 15.93640 28.88437       22.82528 
1 1 1 -22 8  33 o 49.42476 14.07965 292.7139       124.5785 613.8208       176.0795 -29.13209      176.2820 71.72637 14.86408 29.44975 13.82246 42.27662       20.29782 
1 1 1 -22 9  1  o 76.14813 8.679553 509.4890       110.8482 536.2485       131.1886 442.7020       207.2542 77.76812 10.11818 68.42678 17.62815 9.341339       20.32558 
1 1 1 -22 9  2  o 75.90551 7.550319 502.4810       96.56920 407.6930       103.9806 1097.197       260.4536 67.92263 9.201575 110.3087 14.15314 -42.38609      16.88136 
1 1 1 -22 9  3  o 106.8637 5.777315 984.2367       105.0368 834.2352       130.0535 1265.631       178.1279 97.95589 7.840516 120.5579 8.710990 -22.60204      11.71986 
1 1 1 -22 9  4  o 191.3959 6.101031 3150.033       199.4058 3476.530       262.1851 2702.031       307.1204 200.6649 7.651292 175.8468 10.27224 24.81807       12.80864 
1 1 1 -22 9  5  o 117.6602 5.798837 1189.628       116.5125 1189.531       144.3717 1189.810       197.3088 117.2286 7.247395 116.5315 10.01243 0.6971436      12.36016 
1 1 1 -22 9  6  o 20.71263 9.233091 -25.24307      66.17448 -41.39788      73.49284 43.96783       152.1183 20.93368 9.495678 36.53180 15.06660 -15.59812      17.80928 
1 1 1 -22 9  7  o 39.55671 11.63570 139.5708       83.84435 139.5708       83.84435 0.000000       0.000000 39.55671 11.63570 ?        ?        0.000000       11.63570 
1 1 1 -22 9  8  o 131.5681 7.652393 1499.579       171.1866 1499.579       171.1866 0.000000       0.000000 131.5681 7.652393 ?        ?        0.000000       7.652393 
1 1 1 -22 9  9  o 194.8102 7.862440 3279.484       261.5598 3279.484       261.5598 0.000000       0.000000 194.8102 7.862440 ?        ?        0.000000       7.862440 
1 1 1 -22 9  10 o 65.95555 9.846894 386.3571       107.5084 329.3539       115.9168 737.0595       287.5189 60.34138 11.67148 88.09965 19.61530 -27.75826      22.82506 
1 1 1 -22 9  11 f 220.5349 6.556476 4188.876       246.9163 4301.007       313.3800 4005.299       400.9774 222.9122 8.232573 213.7038 11.02524 9.208344       13.75976 
1 1 1 -22 9  12 o 144.1440 6.571729 1790.019       161.7626 1774.850       190.4979 1829.231       306.2872 143.0602 7.827428 143.5045 12.62717 -0.4443817     14.85645 
1 1 1 -22 9  13 o 99.55544 8.401052 864.9422       141.4897 850.7032       165.7722 903.1476       271.5409 98.28278 10.01719 98.80165 16.68866 -0.5188751     19.46421 
1 1 1 -22 9  14 o 101.0902 17.86332 956.5697       297.0925 0.000000       0.000000 956.5697       297.0925 ?        ?        101.0902 17.86332 0.000000       17.86332 
1 1 1 -22 9  15 o 112.9307 8.435887 1112.686       161.5094 1042.781       182.7914 1361.541       344.8878 108.8519 9.943523 121.2846 17.12886 -12.43267      19.80584 
1 1 1 -22 9  16 o 165.3991 7.051585 2363.767       199.1691 2056.301       234.0148 3171.782       379.3625 153.4622 8.968793 189.2639 11.79643 -35.80165      14.81874 
1 1 1 -22 9  17 o 152.0067 7.089293 1998.198       184.0210 2197.906       228.0361 1625.316       311.5959 158.7913 8.439898 134.1421 13.79951 24.64919       16.17586 
1 1 1 -22 9  18 o 40.38098 15.45122 111.3476       148.7875 407.9337       186.6506 -405.6104      246.4232 65.40175 16.66463 30.20590 14.72606 35.19585       22.23885 
1 1 1 -22 9  19 o 179.4795 7.004597 2792.373       214.6841 2826.052       287.4138 2749.867       322.8919 179.2461 9.422864 176.0066 10.79515 3.239471       14.32919 
1 1 1 -22 9  20 o 43.94677 14.76838 171.3280       130.9232 208.1871       160.2107 97.23070       227.1540 48.10058 16.33608 44.54056 18.39443 3.560017       24.60127 
1 1 1 -22 9  21 o 82.18851 11.32146 615.8604       154.6798 617.2324       211.2764 614.2753       227.0779 79.89284 16.04331 78.97520 17.31489 0.9176407      23.60494 
1 1 1 -22 9  22 o 106.6681 9.690001 1020.785       174.5806 1296.974       235.3135 682.6402       260.3724 119.0563 11.72646 81.55331 19.04175 37.50301       22.36288 
1 1 1 -22 9  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 9  24 o 47.19595 16.40722 213.6752       161.8950 287.8154       240.8751 152.5887       218.6441 53.65640 19.84486 45.22818 18.28335 8.428219       26.98332 
1 1 1 -22 9  25 o 70.42760 14.18259 491.0487       164.6693 627.9089       273.5925 413.3080       206.2006 74.24632 20.76614 61.86891 18.26117 12.37741       27.65326 
1 1 1 -22 9  26 o 33.93998 15.67732 -77.92101      212.8591 0.000000       0.000000 -77.92101      212.8591 ?        ?        33.93998 15.67732 0.000000       15.67732 
1 1 1 -22 9  27 o 90.29137 10.17399 763.6321       154.1357 944.5393       299.9081 698.6956       179.6821 90.21013 19.99378 84.16691 12.91382 6.043221       23.80164 
1 1 1 -22 9  28 o 68.06406 11.85410 457.4534       132.7741 321.8687       223.7639 531.1315       164.9506 51.88769 19.13967 71.63785 13.98558 -19.75016      23.70492 
1 1 1 -22 9  29 o 18.16347 9.066800 -264.2325      114.7303 -491.9727      209.9476 -167.2648      136.9949 23.43192 11.77715 23.16401 11.22058 0.2679119      16.26661 
1 1 1 -22 9  30 o 21.25508 10.47394 -223.4851      135.3786 -157.0122      224.4035 -261.5210      169.7479 30.23551 14.57562 23.71633 11.69486 6.519176       18.68738 
1 1 1 -22 9  31 o 35.12422 14.48712 112.7163       140.6543 277.9179       235.4270 21.01946       175.3988 45.16635 18.69557 32.18830 14.62727 12.97805       23.73776 
1 1 1 -22 9  32 o 20.76796 10.06910 -128.6175      110.9542 18.26764       201.7676 -192.2908      132.8437 32.57706 15.12345 21.30320 10.47390 11.27386       18.39623 
1 1 1 -22 10 1  o 109.1979 7.129817 1036.868       132.2221 1038.461       155.0903 1032.628       252.9855 108.9018 8.404668 106.1699 14.31904 2.731895       16.60341 
1 1 1 -22 10 2  o 185.4332 6.156395 2964.911       194.9467 2717.884       244.2791 3398.178       323.5132 176.9147 8.085752 197.1412 9.609763 -20.22652      12.55894 
1 1 1 -22 10 3  o 104.0153 6.310884 936.0643       111.5658 876.4702       128.2229 1121.776       226.3512 100.3532 7.537311 112.0959 12.01181 -11.74267      14.18078 
1 1 1 -22 10 4  o 121.8963 6.044586 1279.450       125.8226 1323.814       150.1604 1174.884       230.5328 123.5866 7.145610 114.8660 11.92661 8.720589       13.90338 
1 1 1 -22 10 5  o 29.36203 11.24300 53.14743       78.81314 77.81945       93.26634 -8.470785      147.3931 33.26563 12.33953 32.89803 14.24469 0.3676033      18.84609 
1 1 1 -22 10 6  o 42.53245 10.35314 164.2177       74.48785 219.6989       84.52547 -28.64642      157.5944 49.26834 10.37445 32.99088 14.49821 16.27746       17.82771 
1 1 1 -22 10 7  o 108.4407 6.217798 1015.623       114.6605 1060.866       142.7558 933.3762       192.4741 110.5293 7.609722 102.6357 11.16170 7.893608       13.50894 
1 1 1 -22 10 8  o 170.9672 6.356541 2517.331       185.5819 2465.997       218.8199 2648.862       350.2663 168.9077 7.586392 173.1463 11.91892 -4.238541      14.12848 
1 1 1 -22 10 9  o 221.0747 6.463766 4210.684       244.0206 4210.987       307.1162 4210.163       401.8833 220.4993 8.156307 219.3456 10.72925 1.153717       13.47746 
1 1 1 -22 10 10 o 211.4045 6.616826 3852.591       238.8723 4117.158       303.8489 3424.503       386.5064 218.0025 8.161959 197.1043 11.53335 20.89818       14.12925 
1 1 1 -22 10 11 o 80.65019 8.379580 569.8795       113.7215 715.0814       125.8812 -74.64515      265.2130 90.47166 8.238181 41.11806 18.39531 49.35360       20.15577 
1 1 1 -22 10 12 o 153.0212 6.458332 2018.568       168.7617 1919.483       196.5099 2296.990       329.4071 148.7085 7.765263 160.9214 12.07523 -12.21289      14.35655 
1 1 1 -22 10 13 o 46.23910 19.61321 53.15376       268.9301 0.000000       0.000000 53.15376       268.9301 ?        ?        46.23910 19.61321 0.000000       19.61321 
1 1 1 -22 10 14 o 91.22135 7.968002 727.1661       122.8761 708.7950       135.9701 809.0043       286.9813 89.77402 8.990162 91.89432 18.91827 -2.120300      20.94574 
1 1 1 -22 10 15 o 60.45097 10.73026 330.4400       106.7113 286.5100       116.6334 556.1766       264.3890 55.72138 12.55808 75.29390 20.16093 -19.57252      23.75223 
1 1 1 -22 10 16 o 172.8573 6.570510 2583.385       193.9495 2571.170       241.8159 2605.414       324.7371 171.8361 8.240782 171.2695 11.16429 0.5666046      13.87630 
1 1 1 -22 10 17 o 50.42993 13.47700 237.6599       118.2802 106.8207       135.3365 660.8139       243.3858 38.90279 14.77171 82.64337 17.77374 -43.74059      23.11081 
1 1 1 -22 10 18 o 127.1052 6.657973 1404.598       144.0104 1317.969       171.2464 1613.836       266.1411 122.5313 8.231917 133.8176 11.76611 -11.28627      14.35987 
1 1 1 -22 10 19 o 129.4548 6.612219 1459.188       145.6855 1440.934       175.7373 1499.297       260.4990 128.0331 8.079284 128.4355 12.01702 -0.4023438     14.48046 
1 1 1 -22 10 20 o 79.26513 9.559801 565.1797       126.7878 659.4736       153.4051 361.9361       225.2198 85.13947 10.79371 59.85171 19.33783 25.28775       22.14624 
1 1 1 -22 10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 10 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 10 23 o 91.91848 9.599440 768.1279       148.4553 775.9904       196.8101 757.7487       226.1240 90.08990 13.18300 87.07950 15.78786 3.010406       20.56813 
1 1 1 -22 10 24 o 56.69869 14.08136 322.2014       135.7202 188.7014       184.7540 478.6894       200.0294 45.31373 17.24646 67.08264 17.33636 -21.76891      24.45383 
1 1 1 -22 10 25 o 46.82434 15.15842 223.8469       138.3369 229.4996       218.4336 220.0613       178.7540 48.07068 18.63467 46.76390 17.12843 1.306778       25.31075 
1 1 1 -22 10 26 o 88.70279 10.20055 738.3619       151.6995 675.0496       219.4676 796.2863       209.9216 79.07920 16.77191 88.48860 14.38628 -9.409401      22.09665 
1 1 1 -22 10 27 o 74.79225 11.39986 546.3563       140.9948 344.9371       255.1837 634.8663       169.1604 52.65908 20.21475 79.36167 12.92707 -26.70259      23.99469 
1 1 1 -22 10 28 o 23.13884 10.84834 -73.59273      108.0715 86.93771       162.5411 -200.7899      144.6848 35.73498 15.20589 23.03324 11.24123 12.70174       18.90990 
1 1 1 -22 10 29 f 52.25281 13.15803 295.2188       117.3386 199.1370       152.2392 435.8253       184.1657 41.92046 15.72253 59.24023 17.19349 -17.31977      23.29837 
1 1 1 -22 10 30 f 61.06955 12.93897 402.4886       130.7407 333.3485       239.7070 431.7661       155.9847 48.04272 19.24098 60.91593 15.07642 -12.87321      24.44410 
1 1 1 -22 10 31 o 26.76732 11.89357 15.13535       108.8957 24.58898       174.7337 9.132026       139.2430 31.59773 14.45149 28.80395 13.06752 2.793776       19.48347 
1 1 1 -22 10 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 11 3  o 76.18604 9.685390 517.7041       123.1588 591.3397       142.4748 300.0248       244.9644 81.20271 10.52202 57.28764 20.16629 23.91507       22.74625 
1 1 1 -22 11 4  o 96.69595 6.462790 811.9019       106.1016 789.2251       121.1637 886.4790       219.7275 95.04810 7.526509 98.49449 13.41262 -3.446396      15.38007 
1 1 1 -22 11 5  o 39.21388 10.78736 140.0286       74.49837 141.8208       81.02607 130.2311       189.4490 39.53089 11.38457 44.36965 17.31121 -4.838764      20.71923 
1 1 1 -22 11 6  o 136.6919 5.786902 1610.361       135.0800 1741.231       176.1342 1423.463       210.4873 141.5655 7.310876 127.0791 9.774474 14.48633       12.20612 
1 1 1 -22 11 7  o 204.9263 5.418077 3614.638       189.6028 3623.761       276.3075 3606.521       260.6543 204.2548 7.921699 203.9547 7.483923 0.3001404      10.89782 
1 1 1 -22 11 8  o 187.2109 5.496701 3017.153       175.7257 3198.161       250.7287 2842.403       246.3562 192.0125 7.646675 180.8936 7.975141 11.11884       11.04873 
1 1 1 -22 11 9  o 119.0004 7.141798 1230.160       144.4589 1443.991       168.7934 644.7733       279.2812 128.7848 7.710647 81.00768 20.24530 47.77712       21.66394 
1 1 1 -22 11 10 o 163.9250 6.557139 2321.660       183.5530 2330.894       210.2561 2292.078       376.3447 163.9504 7.509902 159.0738 13.99683 4.876602       15.88427 
1 1 1 -22 11 11 o 78.10902 23.25925 618.8842       333.3692 0.000000       0.000000 618.8842       333.3692 ?        ?        78.10902 23.25925 0.000000       23.25925 
1 1 1 -22 11 12 o 34.63193 12.10523 97.03144       88.18460 131.6681       93.26929 -194.9067      270.7798 38.69702 12.43829 37.32734 17.39229 1.369678       21.38230 
1 1 1 -22 11 13 o 86.07121 8.493388 652.4187       123.2085 682.2823       138.2807 537.3939       271.3852 87.75324 9.372752 73.33617 20.74252 14.41707       22.76182 
1 1 1 -22 11 14 o 34.35742 12.08882 95.32310       88.01777 133.4827       94.18489 -167.7688      247.3050 38.84255 12.50067 35.94950 16.70716 2.893047       20.86615 
1 1 1 -22 11 15 o 161.2017 6.466323 2251.264       178.0037 2346.646       219.1517 2066.331       305.1541 164.0329 7.823697 151.4605 11.89391 12.57239       14.23641 
1 1 1 -22 11 16 o 100.0330 7.349783 876.3091       124.6718 916.0175       137.3271 690.1661       297.3297 102.0755 7.940799 81.73244 21.14321 20.34306       22.58521 
1 1 1 -22 11 17 o 29.84882 12.39114 29.62416       103.8510 53.51660       112.4994 -108.0935      270.0938 32.54269 13.12900 39.07327 17.90597 -6.530579      22.20348 
1 1 1 -22 11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 11 20 o ?        ?        -1086.528      233.3962 0.000000       0.000000 -1086.528      233.3962 ?        ?        ?        ?        0.000000       ?        
1 1 1 -22 11 21 o 58.03850 12.16340 321.6222       116.6952 391.3980       130.0278 32.76265       264.5619 64.09321 12.32780 42.31603 18.68282 21.77718       22.38353 
1 1 1 -22 11 22 f 39.11364 12.30305 144.6804       91.64324 125.4199       102.7856 219.3476       202.3782 37.39560 13.06914 48.03239 18.10542 -10.63680      22.32955 
1 1 1 -22 11 23 o 56.07101 11.66640 303.0693       108.0695 277.2122       129.8170 361.4416       195.0495 52.35696 14.17281 57.64509 17.91903 -5.288128      22.84645 
1 1 1 -22 11 24 o 122.6011 7.529524 1345.556       156.8762 1239.511       204.7080 1496.453       244.1906 115.1656 10.52538 125.5669 11.51644 -10.40123      15.60167 
1 1 1 -22 11 25 o 35.78485 13.92082 105.4100       122.2318 431.4504       194.9689 -105.7200      156.8934 61.63275 17.63339 27.66739 13.00327 33.96536       21.90939 
1 1 1 -22 11 26 o 47.68328 15.17370 248.4812       139.0695 166.1789       204.7708 318.9413       189.4673 42.25232 17.45827 51.94549 17.76456 -9.693169      24.90725 
1 1 1 -22 11 27 o 43.96114 14.37329 211.8667       124.2370 323.8936       211.1108 152.5140       153.6630 50.39146 18.59007 39.23038 15.50410 11.16108       24.20678 
1 1 1 -22 11 28 o 63.74931 10.79294 406.3750       113.3015 389.7938       160.7225 422.7557       159.7471 57.40052 15.86690 60.43998 15.42591 -3.039452      22.12955 
1 1 1 -22 11 29 o 42.41540 13.36429 200.6584       108.0860 57.37044       156.1863 332.3473       149.7314 32.75757 14.41360 52.43575 15.58197 -19.67818      21.22616 
1 1 1 -22 11 30 o 28.38328 12.15533 46.78282       105.0779 16.15999       156.7975 71.74702       141.5713 30.21737 13.76952 32.03061 13.91477 -1.813238      19.57601 
1 1 1 -22 12 1  o 78.95693 7.360352 548.7119       98.09710 531.8021       114.9360 594.0735       188.2485 77.20137 8.879996 79.06891 14.47541 -1.867538      16.98210 
1 1 1 -22 12 2  o 54.84707 9.886654 274.0284       89.19231 334.3669       101.3253 66.37189       187.9722 60.63128 10.14473 39.90503 16.62690 20.72625       19.47741 
1 1 1 -22 12 3  o 22.68961 10.16669 -30.91405      81.34754 56.27674       88.80094 -485.8778      202.8480 30.43503 11.85821 24.36879 12.14699 6.066242       16.97547 
1 1 1 -22 12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 8  o 38.66111 11.83243 135.3283       85.42438 134.7841       93.22688 138.1770       213.3060 38.84969 12.43001 45.78902 18.21267 -6.939335      22.05009 
1 1 1 -22 12 9  o 28.65668 14.01943 -390.0717      229.0468 0.000000       0.000000 -390.0717      229.0468 ?        ?        28.65668 14.01943 0.000000       14.01943 
1 1 1 -22 12 10 o 88.65198 8.341800 693.8328       124.7994 766.9601       137.6873 357.1548       295.4348 93.08901 8.764706 61.10387 22.07482 31.98514       23.75117 
1 1 1 -22 12 11 o 60.95783 11.14734 341.1129       111.7625 455.7722       119.2959 -481.6819      319.5703 71.07499 10.11427 34.32739 16.74295 36.74760       19.56080 
1 1 1 -22 12 12 o 62.48528 9.377916 351.5639       96.97697 388.6959       102.1180 10.38861       309.5399 65.76912 9.356164 45.82695 20.22201 19.94217       22.28155 
1 1 1 -22 12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 17 o 14.96119 7.526609 -258.0855      86.75838 -210.7513      94.69353 -505.5320      216.5078 17.27717 8.558805 25.07341 12.50634 -7.796246      15.15459 
1 1 1 -22 12 18 o 91.00661 7.728543 734.6106       118.9721 779.8656       136.6188 592.5908       242.0201 93.34605 8.669644 75.07856 18.89234 18.26749       20.78661 
1 1 1 -22 12 19 o 62.89826 8.795389 358.9497       91.88624 331.2445       101.2043 488.9588       219.2329 59.75393 10.28942 67.86590 18.43770 -8.111969      21.11447 
1 1 1 -22 12 20 o 93.78139 7.714971 784.3894       122.4571 772.8182       138.0250 827.1787       265.4221 92.47038 8.848891 88.53378 18.16512 3.936600       20.20581 
1 1 1 -22 12 21 o 33.32807 12.27890 91.52757       92.05449 137.6555       104.3647 -70.13270      195.3770 38.49416 13.18442 32.99252 15.15977 5.501640       20.09098 
1 1 1 -22 12 22 o 64.47286 10.04897 389.1817       107.0307 371.9891       120.0680 455.7020       236.1749 62.03637 11.76437 62.68068 19.75564 -0.6443024     22.99317 
1 1 1 -22 12 23 o 67.84264 10.26659 435.0047       115.2223 327.9542       156.1880 562.8298       170.6716 55.28498 15.77054 74.56414 13.91567 -19.27916      21.03226 
1 1 1 -22 12 24 o 28.24696 12.10252 23.65872       104.2528 190.2591       143.6343 -161.8245      151.5558 42.92328 15.40618 25.15923 12.09044 17.76405       19.58390 
1 1 1 -22 12 25 f 29.70440 12.42881 47.29313       105.6617 110.5095       147.4888 -19.36131      151.4463 36.62515 14.93851 29.97121 13.60901 6.653934       20.20802 
1 1 1 -22 12 26 o 74.37292 11.05413 549.5305       136.1217 657.8804       189.2528 433.3988       195.9312 77.37972 14.86252 58.72078 17.91000 18.65894       23.27364 
1 1 1 -22 12 27 o 79.14705 9.535592 605.0371       126.2852 795.4703       193.6304 464.0741       166.5923 86.11230 13.62068 63.26859 15.53355 22.84372       20.65948 
1 1 1 -22 12 28 f 22.90599 10.90998 -94.63541      117.6105 112.0808       161.0243 -331.0118      172.1893 35.64173 15.14975 22.29580 11.12604 13.34593       18.79637 
1 1 1 -22 12 29 o 55.25429 11.28259 322.4975       102.8573 358.8892       140.0309 279.8561       151.5789 54.49842 14.70613 46.31616 15.88863 8.182262       21.64991 
1 1 1 -22 13 1  o 44.66393 10.36283 186.1284       77.51022 208.7590       92.23122 131.7171       143.0126 46.99808 11.56962 40.47900 15.22753 6.519085       19.12416 
1 1 1 -22 13 2  o 50.68656 10.60699 239.0028       88.86160 263.1121       109.5352 192.5874       151.9821 52.60503 12.39656 45.76455 15.89769 6.840485       20.15964 
1 1 1 -22 13 3  o 64.74707 8.899259 377.4615       95.79410 259.5283       116.9936 617.3678       166.8648 52.06372 13.15420 81.38938 12.39757 -29.32566      18.07575 
1 1 1 -22 13 4  o 88.66145 6.906620 689.9003       103.7438 745.7609       134.3143 607.2881       163.3396 91.49304 8.701495 80.87064 12.20772 10.62241       14.99148 
1 1 1 -22 13 5  o 53.02714 11.05785 261.5963       96.88890 236.1651       112.4452 334.9071       190.9160 49.78735 13.06246 57.89843 17.68376 -8.111080      21.98507 
1 1 1 -22 13 6  o 43.91253 12.00332 181.0461       92.58366 183.7162       108.7157 173.9981       176.6283 44.23848 13.30732 45.54729 16.96410 -1.308807      21.56074 
1 1 1 -22 13 7  o 176.5325 10.28822 2793.219       308.8021 0.000000       0.000000 2793.219       308.8021 ?        ?        176.5325 10.28822 0.000000       10.28822 
1 1 1 -22 13 8  o 36.55794 11.57329 120.4952       80.98323 169.5339       90.70451 -72.19813      179.8013 42.57471 11.97423 32.53262 14.79375 10.04208       19.03253 
1 1 1 -22 13 9  o 149.8097 6.137997 1948.482       157.0249 2271.198       199.6971 1425.746       254.1573 161.2126 7.253888 124.7517 12.08175 36.46091       14.09211 
1 1 1 -22 13 10 f 100.2078 7.144404 881.3337       121.4550 1046.929       135.6886 213.9318       272.4037 109.1853 7.319788 51.77032 20.58478 57.41494       21.84748 
1 1 1 -22 13 11 o 74.12064 8.118313 488.5897       101.0752 445.3911       107.7904 803.2459       290.9131 70.33541 9.194442 88.04130 19.82667 -17.70589      21.85485 
1 1 1 -22 13 12 f 39.31100 11.69566 143.3671       84.31911 165.6268       87.10909 -187.5260      335.8519 42.01611 11.70546 40.94599 19.17372 1.070122       22.46441 
1 1 1 -22 13 13 o 86.80254 7.043928 663.1122       103.5112 671.9124       115.8801 628.3650       230.2615 87.05865 7.880025 78.82011 17.55731 8.238533       19.24458 
1 1 1 -22 13 14 o 59.84703 9.050392 324.9480       89.60533 354.1180       95.53430 111.5819       258.3770 62.45026 9.236927 45.67188 19.29024 16.77838       21.38771 
1 1 1 -22 13 15 o 62.92014 9.276775 360.3639       96.68495 377.0004       109.4204 301.1156       206.4931 63.90800 10.38268 54.47782 18.54598 9.430176       21.25449 
1 1 1 -22 13 16 o 54.35707 10.73604 276.9760       96.12026 272.6913       103.3518 304.4185       261.5624 53.55104 11.63450 54.85917 20.60201 -1.308128      23.66018 
1 1 1 -22 13 17 o 60.58608 9.496407 337.4457       95.02144 296.0129       105.6579 512.7080       217.3071 55.79907 11.47175 69.42573 18.13205 -13.62666      21.45628 
1 1 1 -22 13 18 o 37.52608 12.05193 131.8211       87.57872 77.18393       93.44232 526.6347       251.1861 32.15310 12.25860 68.26755 20.15640 -36.11445      23.59139 
1 1 1 -22 13 19 o 66.28678 8.668794 400.8169       95.77591 358.8258       108.2000 552.8110       205.8551 61.68995 10.65628 72.26523 16.97075 -10.57528      20.03903 
1 1 1 -22 13 20 o 29.18882 11.39936 58.15318       82.20969 55.74742       91.14024 68.65578       190.4286 29.80311 11.88895 38.16902 16.35531 -8.365913      20.21987 
1 1 1 -22 13 21 o 44.03750 13.10225 195.3535       105.8190 142.5827       131.9333 290.5273       177.1806 39.33827 14.65952 51.45425 17.18093 -12.11597      22.58508 
1 1 1 -22 13 22 o 27.66782 11.74418 26.35060       96.53371 -59.63614      124.3968 156.5186       153.0543 25.96643 11.99092 40.61303 15.63912 -14.64660      19.70695 
1 1 1 -22 13 23 f 83.80727 8.647575 652.6425       121.9808 643.9359       151.7671 668.5301       205.0151 81.06349 11.26828 77.88762 15.95067 3.175873       19.52942 
1 1 1 -22 13 24 o 21.78043 10.19305 -65.42075      94.67637 51.88940       123.7156 -231.2256      147.0806 31.23105 13.27718 22.47969 11.04593 8.751356       17.27125 
1 1 1 -22 13 25 o 47.55631 12.39738 238.9846       101.7105 315.6182       136.1521 142.2146       152.9979 52.90484 14.59544 38.12307 15.33525 14.78178       21.17066 
1 1 1 -22 13 26 o 77.33418 9.219401 575.8630       119.3522 606.9020       151.7503 525.5228       193.2561 76.60985 11.99304 64.99232 17.15977 11.61752       20.93539 
1 1 1 -22 13 27 o 26.87308 11.60736 30.48101       97.38570 25.44035       132.9930 36.30870       142.9991 29.36143 13.08883 30.56092 13.60168 -1.199490      18.87652 
1 1 1 -22 13 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 14 1  o 89.82726 6.571603 711.3500       100.1052 864.4346       136.2203 531.6100       147.6041 98.24103 8.194615 74.89851 11.94149 23.34251       14.48278 
1 1 1 -22 14 2  o 62.10221 9.947007 356.0231       101.9271 371.9418       135.7270 335.4345       154.3569 61.85223 13.24924 57.60700 15.39603 4.245224       20.31207 
1 1 1 -22 14 3  o 56.69389 9.897067 296.9859       92.33137 218.9088       113.4017 450.5350       159.0308 47.43384 13.40570 67.81522 14.18838 -20.38138      19.51980 
1 1 1 -22 14 4  o 76.19211 7.404061 515.3392       95.11790 340.3166       121.7867 789.0841       152.3091 59.71096 12.35137 93.26033 9.705920 -33.54937      15.70864 
1 1 1 -22 14 5  o 75.68353 16.18254 575.0410       202.8118 0.000000       0.000000 575.0410       202.8118 ?        ?        75.68353 16.18254 0.000000       16.18254 
1 1 1 -22 14 6  o 42.63424 13.57355 171.8578       111.2745 95.18962       124.9302 466.1666       244.7719 36.34481 14.09173 65.67214 20.01551 -29.32733      24.47851 
1 1 1 -22 14 7  o 44.81231 11.46137 190.6071       88.05695 288.2272       105.0176 -40.54610      161.6003 55.24134 11.50622 31.68163 14.25213 23.55971       18.31710 
1 1 1 -22 14 8  o 60.46993 8.503944 330.2313       85.38710 250.5749       95.48309 648.2767       190.7922 51.54990 11.16941 81.88963 14.15573 -30.33973      18.03165 
1 1 1 -22 14 9  o 55.33590 9.290475 280.3676       84.67904 277.9148       93.97237 290.9608       195.2932 54.63215 10.45364 53.61021 18.03706 1.021942       20.84740 
1 1 1 -22 14 10 o 40.39661 11.08830 153.9936       78.81404 124.9236       84.90513 335.0677       211.9045 36.90694 11.86795 56.73621 18.78234 -19.82927      22.21767 
1 1 1 -22 14 11 o 24.11850 10.62417 -13.49676      85.07293 -47.32182      90.53107 241.9154       248.7707 22.87138 10.43785 51.14550 19.86988 -28.27412      22.44462 
1 1 1 -22 14 12 o 35.21453 12.18923 108.8892       89.30804 145.8275       95.92812 -131.3639      244.6481 39.45880 12.60711 35.38202 16.50123 4.076786       20.76607 
1 1 1 -22 14 13 o 41.10872 11.16237 160.7414       80.37891 188.7075       83.60072 -181.2584      292.3526 44.52528 11.04782 37.28049 17.59154 7.244793       20.77298 
1 1 1 -22 14 14 o 53.77119 9.405798 267.2351       83.22144 294.5240       89.53783 94.03579       225.5727 56.40797 9.641688 42.15588 17.92507 14.25209       20.35363 
1 1 1 -22 14 15 o 120.6157 6.165022 1277.083       126.5572 1287.992       147.8692 1247.209       244.7031 120.5256 7.217713 114.2710 12.75788 6.254623       14.65806 
1 1 1 -22 14 16 o 75.12570 8.287003 510.5306       104.5442 526.7786       114.5046 429.1394       256.2789 75.95110 9.003819 60.93495 20.66151 15.01616       22.53812 
1 1 1 -22 14 17 o 24.18351 10.41475 5.001210       77.93398 -2.369249      85.10533 43.28851       193.9710 24.62339 10.74157 37.25271 16.23466 -12.62932      19.46652 
1 1 1 -22 14 18 o 58.40753 9.709876 320.1255       93.44637 323.8415       101.6788 299.9254       237.0681 58.26567 10.61007 51.91754 19.58957 6.348133       22.27835 
1 1 1 -22 14 19 o 75.62435 7.145752 514.5385       91.18726 563.9786       102.7136 330.5977       198.1194 78.87057 7.725434 53.67725 18.16658 25.19333       19.74099 
1 1 1 -22 14 20 o 43.43235 12.66820 192.5070       99.75821 265.5894       126.9601 74.57715       161.2772 50.05687 14.19759 35.72196 15.17223 14.33491       20.77903 
1 1 1 -22 14 21 o 34.84583 12.65664 114.1845       97.30848 109.0019       124.0533 122.4735       156.8872 35.52348 13.96495 37.88871 15.42519 -2.365231      20.80760 
1 1 1 -22 14 22 o 45.26867 12.99981 217.0654       105.7850 312.3548       127.5012 6.580614       189.4971 53.82178 13.80550 33.55206 15.23033 20.26973       20.55613 
1 1 1 -22 14 23 o 29.62106 11.99706 62.26659       94.33384 182.3547       121.3125 -121.4179      150.0347 41.02773 14.20611 25.69180 12.26043 15.33592       18.76517 
1 1 1 -22 14 24 o 98.97094 7.414941 902.1204       124.4083 1112.329       172.1900 672.5483       179.9460 107.5526 9.471958 78.71315 13.89533 28.83945       16.81660 
1 1 1 -22 14 25 o 57.88771 11.40930 348.1053       108.7739 424.7658       134.0447 200.2901       186.1330 62.48986 12.98542 40.99787 16.75875 21.49199       21.20086 
1 1 1 -22 14 26 o 22.56482 10.44562 -38.45918      95.25555 -80.86701      114.1788 58.63266       172.7642 22.83842 10.84087 32.93587 14.78284 -10.09745      18.33185 
1 1 1 -22 15 1  o 32.89773 11.92243 92.75385       86.27673 55.35962       103.0102 180.6328       157.9139 30.81488 12.51694 43.35276 16.06127 -12.53788      20.36267 
1 1 1 -22 15 2  o 40.73205 12.12003 161.7612       90.54462 145.3220       106.4140 204.8804       172.3431 39.09971 13.31362 45.54031 16.79741 -6.440598      21.43374 
1 1 1 -22 15 3  f 75.23212 15.26826 580.0780       189.4505 0.000000       0.000000 580.0780       189.4505 ?        ?        75.23212 15.26826 0.000000       15.26826 
1 1 1 -22 15 4  o 94.87109 7.506922 804.4679       120.6247 809.4351       138.3869 788.7581       246.1064 94.46852 8.675321 86.32065 17.29839 8.147873       19.35188 
1 1 1 -22 15 5  o 43.76669 12.65889 187.7490       99.98658 180.4535       125.8327 200.2452       164.6862 43.04430 14.47836 45.39579 16.46892 -2.351486      21.92826 
1 1 1 -22 15 6  o 90.08855 7.315112 723.2815       111.5644 883.6052       134.6265 371.8192       199.3293 99.22440 8.013679 58.43330 18.10642 40.79110       19.80055 
1 1 1 -22 15 7  o 100.1393 6.563602 885.4216       111.6193 818.8661       137.4720 1014.187       191.2149 95.20363 8.546928 104.3156 10.89498 -9.112015      13.84740 
1 1 1 -22 15 8  o 65.85058 9.686683 401.0381       105.6724 322.8332       128.6940 562.8936       185.1420 57.03162 13.43525 74.63231 15.04654 -17.60069      20.17187 
1 1 1 -22 15 9  o 35.57648 11.03822 118.5966       74.05325 142.8906       81.45701 2.885251       177.7735 38.67819 11.49273 34.49364 15.26766 4.184547       19.10979 
1 1 1 -22 15 10 o 45.12480 11.75268 197.7888       91.46204 130.6013       99.32459 572.4673       234.5534 37.58946 12.86218 71.89889 18.86680 -34.30943      22.83401 
1 1 1 -22 15 11 o 51.11941 10.05042 246.2582       84.60751 253.4167       88.32648 166.5801       294.6785 51.73495 10.35911 47.53598 20.35659 4.198975       22.84079 
1 1 1 -22 15 12 o 87.82519 6.942365 686.2418       103.2698 694.7534       114.7515 649.9798       236.8532 87.95999 7.717613 76.95922 18.29174 11.00077       19.85320 
1 1 1 -22 15 13 o 102.9391 6.777815 940.9373       118.4775 907.5921       137.9552 1034.649       231.2696 100.2564 8.127901 102.4449 13.55255 -2.188507      15.80299 
1 1 1 -22 15 14 o 81.92004 7.228144 601.5875       100.0790 603.7306       108.6967 589.6567       256.4613 81.70272 7.888841 70.33015 20.25412 11.37257       21.73621 
1 1 1 -22 15 15 o 118.0661 6.737012 1240.443       135.2666 1355.203       156.1662 895.7009       270.6694 122.8511 7.479608 89.56325 18.31513 33.28786       19.78354 
1 1 1 -22 15 16 o 73.58219 7.230166 488.4126       89.67637 470.1161       100.1510 562.4119       201.4120 71.55260 8.353745 71.42171 16.79600 0.1308899      18.75875 
1 1 1 -22 15 17 o 43.22023 11.27421 185.7690       84.08080 246.8315       94.14690 -54.85054      186.8893 49.91559 11.30719 31.79130 14.68659 18.12429       18.53506 
1 1 1 -22 15 18 o 88.15652 6.849480 699.6998       102.3036 665.6733       121.4096 783.0176       189.9822 84.81846 8.496511 87.76946 13.07467 -2.951004      15.59287 
1 1 1 -22 15 19 f 32.81244 11.46006 101.5887       79.02760 111.6647       87.02892 54.22700       188.6834 34.16511 12.02077 35.71227 15.77196 -1.547157      19.83062 
1 1 1 -22 15 20 o 73.04415 7.838901 492.6863       96.24955 527.9983       110.1275 378.4686       198.0621 74.95435 8.769712 54.86644 18.15828 20.08791       20.16510 
1 1 1 -22 15 21 o 70.86729 7.433372 462.1263       88.61718 367.6383       105.3663 690.5052       163.8103 61.04287 10.48581 82.46183 11.98362 -21.41896      15.92354 
1 1 1 -22 15 22 o 40.14941 10.83339 165.2823       75.99297 128.5140       87.95701 273.5331       150.9208 35.39987 12.10384 47.64304 15.85469 -12.24318      19.94678 
1 1 1 -22 15 23 o 89.24121 6.639124 728.0167       100.4520 871.0005       123.2138 444.6167       173.4665 96.77082 7.515065 59.62765 16.48454 37.14317       18.11674 
1 1 1 -22 15 24 f 29.03300 11.95401 62.93712       95.56171 121.0141       113.2703 -80.47673      177.9957 34.44201 13.40014 28.37954 13.48984 6.062466       19.01419 
1 1 1 -22 16 1  o 48.64510 15.80598 256.3962       150.3256 0.000000       0.000000 256.3962       150.3256 ?        ?        48.64510 15.80598 0.000000       15.80598 
1 1 1 -22 16 2  o 59.20677 10.80404 338.0359       105.2094 407.7599       114.1016 -57.71524      271.8389 65.28284 10.59854 37.55856 17.47536 27.72429       20.43813 
1 1 1 -22 16 3  o 54.80903 10.55494 288.6062       95.20516 356.5706       130.9770 212.4680       138.6295 59.31131 13.26416 45.23418 15.19684 14.07713       20.17131 
1 1 1 -22 16 4  o 76.54993 7.623053 530.0943       98.32422 555.6384       122.8988 484.6692       163.8891 77.22339 9.521229 68.49196 14.46585 8.731430       17.31804 
1 1 1 -22 16 5  o 50.03830 12.15057 249.5825       102.7872 167.5831       126.6125 408.0929       176.0354 41.19498 14.49851 61.01041 16.49933 -19.81543      21.96440 
1 1 1 -22 16 6  o 23.27466 10.31029 -12.00221      81.23182 -3.565826      92.22749 -41.18917      171.5445 25.27141 11.09879 31.43862 14.35563 -6.167212      18.14573 
1 1 1 -22 16 7  o 48.61486 11.03078 230.6637       89.47479 262.0767       103.9963 141.1516       175.5514 51.32386 12.06861 40.75212 16.41476 10.57174       20.37390 
1 1 1 -22 16 8  o 75.41727 7.817015 516.5891       99.21114 491.7242       118.4632 574.9905       181.5522 72.33768 9.845756 74.35397 14.81883 -2.016289      17.79148 
1 1 1 -22 16 9  o 22.17262 9.949039 -21.83753      78.19347 9.723374       89.00811 -128.5557      163.6719 25.73952 11.10734 27.53897 13.04519 -1.799456      17.13331 
1 1 1 -22 16 10 o 25.70768 10.79418 23.79186       80.13437 30.37821       88.83179 -4.988204      185.6915 27.21350 11.39214 33.86314 15.25139 -6.649633      19.03643 
1 1 1 -22 16 11 o 103.5517 6.221320 951.8076       109.5022 982.2783       129.8672 876.8571       203.6785 104.4414 7.327967 93.61500 13.09961 10.82641       15.00996 
1 1 1 -22 16 12 o 38.33063 12.51979 145.3649       94.26996 145.3649       94.26996 0.000000       0.000000 38.33063 12.51979 ?        ?        0.000000       12.51979 
1 1 1 -22 16 13 o 40.45536 11.67406 163.7127       85.12286 141.5747       94.26402 261.5352       198.1510 37.83210 12.52730 48.09552 17.95715 -10.26342      21.89504 
1 1 1 -22 16 14 o 59.97005 8.388748 334.1153       83.55660 379.7625       92.25492 125.7178       197.1193 63.81032 8.692556 39.93946 16.85796 23.87085       18.96711 
1 1 1 -22 16 15 o 30.71463 11.36548 81.47627       79.02757 78.82471       87.60258 93.06596       183.1477 30.98911 11.85637 37.49396 16.05210 -6.504847      19.95604 
1 1 1 -22 16 16 o 41.04588 11.23623 169.5856       81.05852 200.3388       92.23707 65.27856       169.8703 44.25949 11.93220 35.23123 15.27361 9.028263       19.38197 
1 1 1 -22 16 17 o 16.87281 7.917029 -49.95641      57.75818 -35.00511      62.84510 -131.2565      146.5472 18.68316 8.589602 25.22970 12.06129 -6.546543      14.80729 
1 1 1 -22 16 18 o 88.57593 6.744222 710.6727       101.2450 811.1133       123.7225 507.0673       176.1525 93.77444 7.796829 66.71340 15.72015 27.06104       17.54746 
1 1 1 -22 16 19 o 100.0699 6.348757 903.4579       107.9293 1000.873       133.9486 723.1509       182.2350 104.1779 7.581407 82.41010 13.41055 21.76785       15.40521 
1 1 1 -22 16 20 o 21.87384 9.700161 -4.837648      72.09025 46.51237       78.73457 -271.1374      179.3001 26.68577 10.90301 24.14692 11.92812 2.538853       16.16031 
1 1 1 -22 16 21 o ?        ?        -232.8658      60.52572 -229.6623      64.68586 -255.3951      171.5431 11.85919 6.025393 23.67699 11.69059 -11.81780      13.15201 
1 1 1 -22 17 3  o 74.38776 7.607888 505.8485       95.28243 563.3892       118.3631 399.9087       160.6047 77.46815 9.122101 60.02252 15.54522 17.44564       18.02406 
1 1 1 -22 17 4  o 55.86364 9.641415 298.8019       88.65157 289.4065       105.7999 320.9457       162.4257 53.51617 11.88631 52.91860 16.33587 0.5975685      20.20261 
1 1 1 -22 17 5  o 31.57886 11.54095 88.70834       81.08849 170.1283       92.85810 -172.7916      166.4141 40.80481 12.30400 26.07102 12.56394 14.73379       17.58525 
1 1 1 -22 17 6  o 42.32182 12.83684 185.1958       100.8572 254.9480       119.6284 13.76129       187.5446 48.97723 13.74327 34.14488 15.35755 14.83234       20.60902 
1 1 1 -22 17 7  o 93.45626 6.821840 786.0082       108.1188 877.8951       135.1529 622.6824       180.1879 97.72849 8.173495 76.95805 14.23533 20.77044       16.41495 
1 1 1 -22 17 8  o 25.05642 10.71725 16.20485       81.50299 -12.19663      91.29399 127.7177       180.8982 24.32653 10.84439 39.20731 16.32149 -14.88078      19.59571 
1 1 1 -22 17 9  o 65.25330 9.725096 406.4732       105.0571 351.5669       127.5564 522.2626       185.2360 58.13326 13.15607 68.24507 16.14676 -10.11181      20.82787 
1 1 1 -22 17 10 o 53.81635 11.26678 288.9006       100.2209 267.2836       120.8619 336.4809       179.3101 50.03081 13.73053 53.20808 17.26129 -3.177265      22.05628 
1 1 1 -22 17 11 o 53.21827 8.990702 268.9178       78.79557 272.4955       87.35089 253.2904       182.5599 52.95811 10.02615 46.72297 17.27727 6.235142       19.97568 
1 1 1 -22 17 12 o 19.92543 8.891681 -13.66246      61.54754 -34.28571      67.77673 83.31416       146.9723 19.54541 8.961697 34.72242 14.60085 -15.17701      17.13175 
1 1 1 -22 17 13 o 43.59640 10.08614 187.6962       73.59774 153.5870       80.32355 366.1625       183.7324 38.86705 11.37625 54.62873 17.44692 -15.76168      20.82821 
1 1 1 -22 17 14 o 65.99450 12.75668 454.2992       138.5616 454.2992       138.5616 0.000000       0.000000 65.99450 12.75668 ?        ?        0.000000       12.75668 
1 1 1 -22 17 15 o 30.15593 12.08810 69.88346       94.70302 86.55067       120.8986 43.41612       152.3509 33.01041 13.50152 32.33924 14.23239 0.6711731      19.61765 
1 1 1 -22 17 16 o 31.45909 11.96844 89.50777       88.95229 66.76410       110.6878 130.9800       149.4680 30.85937 12.80008 36.97747 15.05533 -6.118101      19.76120 
1 1 1 -22 17 17 o 83.14338 7.214793 636.9382       101.4207 662.3223       126.8153 591.8888       168.9410 83.07172 9.087793 73.33807 14.00044 9.733650       16.69132 
1 1 1 -21 0  1  o 241.6401 7.191941 5014.991       296.1730 5014.991       296.1730 5014.991       296.1730 241.6401 7.191941 241.6401 7.191941 -0.000000      0.000000 
1 1 1 -21 0  2  o 35.97810 15.07461 157.4837       92.94192 157.4837       92.94192 157.4837       92.94192 35.97810 15.07461 35.97810 15.07461 -0.000000      0.000000 
1 1 1 -21 0  3  o 124.2888 6.817032 1334.414       143.6920 1334.414       143.6920 1334.414       143.6920 124.2888 6.817032 124.2888 6.817032 -0.000000      0.000000 
1 1 1 -21 0  4  o 92.36954 8.020403 747.4367       124.3164 747.4367       124.3164 747.4367       124.3164 92.36954 8.020403 92.36954 8.020403 0.000000       0.000000 
1 1 1 -21 0  5  o 142.0428 8.861157 1750.236       213.0201 1750.236       213.0201 1750.236       213.0201 142.0428 8.861157 142.0428 8.861157 0.000000       0.000000 
1 1 1 -21 0  6  o 206.8585 7.613079 3680.140       268.1012 3680.140       268.1012 3680.140       268.1012 206.8585 7.613079 206.8585 7.613079 -0.000000      0.000000 
1 1 1 -21 0  7  f 158.9636 24.13228 2362.232       610.3550 2362.232       610.3550 2362.232       610.3550 158.9636 24.13228 158.9636 24.13228 -0.000000      0.000000 
1 1 1 -21 0  8  o 298.8627 32.85184 8329.310       1624.979 8329.310       1624.979 8329.310       1624.979 298.8627 32.85184 298.8627 32.85184 0.000000       0.000000 
1 1 1 -21 0  9  o 111.8833 25.72424 1253.883       427.9120 1253.883       427.9120 1253.883       427.9120 111.8833 25.72424 111.8833 25.72424 0.000000       0.000000 
1 1 1 -21 0  10 o 148.9538 24.49469 2096.500       572.4115 2096.500       572.4115 2096.500       572.4115 148.9538 24.49469 148.9538 24.49469 -0.000000      0.000000 
1 1 1 -21 0  11 o 146.8002 24.54965 2042.160       563.6850 2042.160       563.6850 2042.160       563.6850 146.8002 24.54965 146.8002 24.54965 0.000000       0.000000 
1 1 1 -21 0  12 o 122.1949 25.34817 1466.385       466.6324 1466.385       466.6324 1466.385       466.6324 122.1949 25.34817 122.1949 25.34817 0.000000       0.000000 
1 1 1 -21 0  13 o 39.15355 22.57516 172.8026       243.0720 172.8026       243.0720 172.8026       243.0720 39.15355 22.57516 39.15355 22.57516 -0.000000      0.000000 
1 1 1 -21 0  14 f 158.3644 25.37987 2377.683       633.5004 2377.683       633.5004 2377.683       633.5004 158.3644 25.37987 158.3644 25.37987 0.000000       0.000000 
1 1 1 -21 0  15 o 41.57188 23.32193 209.6031       249.7310 209.6031       249.7310 209.6031       249.7310 41.57188 23.32193 41.57188 23.32193 0.000000       0.000000 
1 1 1 -21 0  16 o 99.51335 30.18322 1092.553       447.6447 1092.553       447.6447 1092.553       447.6447 99.51335 30.18322 99.51335 30.18322 0.000000       0.000000 
1 1 1 -21 0  17 o 181.2429 26.46910 3117.761       768.1602 3117.761       768.1602 3117.761       768.1602 181.2429 26.46910 181.2429 26.46910 0.000000       0.000000 
1 1 1 -21 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  19 o 167.1298 24.19121 2644.155       648.3455 2644.155       648.3455 2644.155       648.3455 167.1298 24.19121 167.1298 24.19121 -0.000000      0.000000 
1 1 1 -21 0  20 o 144.1166 23.31007 1987.637       528.6559 1987.637       528.6559 1987.637       528.6559 144.1166 23.31007 144.1166 23.31007 -0.000000      0.000000 
1 1 1 -21 0  21 o 130.8800 10.33104 1505.847       227.5882 1505.847       227.5882 1505.847       227.5882 130.8800 10.33104 130.8800 10.33104 0.000000       0.000000 
1 1 1 -21 0  22 o 82.71545 26.06549 769.4260       323.5066 769.4260       323.5066 769.4260       323.5066 82.71545 26.06549 82.71545 26.06549 -0.000000      0.000000 
1 1 1 -21 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  25 o 48.09878 25.86403 314.7253       293.4907 314.7253       293.4907 314.7253       293.4907 48.09878 25.86403 48.09878 25.86403 0.000000       0.000000 
1 1 1 -21 0  26 o 18.85877 13.73002 -547.0623      255.4439 -547.0623      255.4439 -547.0623      255.4439 18.85877 13.73002 18.85877 13.73002 0.000000       0.000000 
1 1 1 -21 0  27 o 43.25083 25.12928 240.4785       304.7773 240.4785       304.7773 240.4785       304.7773 43.25083 25.12928 43.25083 25.12928 -0.000000      0.000000 
1 1 1 -21 0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  30 o 29.73890 17.97294 97.11168       167.4677 97.11168       167.4677 97.11168       167.4677 29.73890 17.97294 29.73890 17.97294 -0.000000      0.000000 
1 1 1 -21 0  31 o 19.24226 13.52418 -159.9704      171.8010 -159.9704      171.8010 -159.9704      171.8010 19.24226 13.52418 19.24226 13.52418 -0.000000      0.000000 
1 1 1 -21 0  32 o 34.18619 19.76147 167.6566       186.9977 167.6566       186.9977 167.6566       186.9977 34.18619 19.76147 34.18619 19.76147 0.000000       0.000000 
1 1 1 -21 0  33 o 25.66173 16.55711 40.58702       168.6184 40.58702       168.6184 40.58702       168.6184 25.66173 16.55711 25.66173 16.55711 -0.000000      0.000000 
1 1 1 -21 0  34 o 71.65553 16.96142 567.1970       180.2017 567.1970       180.2017 567.1970       180.2017 71.65553 16.96142 71.65553 16.96142 0.000000       0.000000 
1 1 1 -21 0  35 o 22.55507 14.55252 34.12695       130.2558 34.12695       130.2558 34.12695       130.2558 22.55507 14.55252 22.55507 14.55252 0.000000       0.000000 
1 1 1 -21 0  36 o 22.79358 15.78452 -65.20342      211.1976 -65.20342      211.1976 -65.20342      211.1976 22.79358 15.78452 22.79358 15.78452 -0.000000      0.000000 
1 1 1 -21 1  1  o 102.1317 5.230767 896.0405       90.92183 1013.684       127.4072 773.9526       129.7917 108.4136 6.917983 94.47158 8.124365 13.94205       10.67070 
1 1 1 -21 1  2  o 147.1166 4.779402 1853.214       120.0707 1913.559       167.7952 1789.888       171.8902 149.3035 6.581237 144.3509 6.973159 4.952576       9.588410 
1 1 1 -21 1  3  o 67.64645 7.864927 398.7901       89.15767 433.0712       115.5397 348.3296       140.1779 70.13828 9.923594 62.02948 13.60775 8.108803       16.84187 
1 1 1 -21 1  4  o 158.4559 5.376145 2150.968       145.4727 2141.720       194.9105 2162.597       218.5762 157.9032 7.228402 158.3457 8.110635 -0.4424133     10.86426 
1 1 1 -21 1  5  o 64.94693 9.525480 371.3476       102.5050 335.2397       120.9424 463.4390       193.1465 61.14153 12.01200 71.25999 16.23464 -10.11846      20.19534 
1 1 1 -21 1  6  o 115.3363 7.200707 1146.795       141.1127 1191.552       164.0739 1019.611       276.5834 117.4038 8.235934 106.7902 15.62940 10.61369       17.66660 
1 1 1 -21 1  7  o 198.0520 7.126492 3368.168       241.0222 3379.215       268.5191 3322.365       546.7645 198.2427 7.931878 193.6078 16.70115 4.634888       18.48900 
1 1 1 -21 1  8  o 197.6706 13.57430 3420.211       455.4298 3153.040       785.5250 3555.492       558.9641 184.1018 25.68584 200.4151 16.47841 -16.31337      30.51722 
1 1 1 -21 1  9  o 204.5258 17.17936 3714.284       594.4500 3832.416       841.4991 3596.612       839.8618 203.7652 24.68749 196.7868 25.59859 6.978317       35.56346 
1 1 1 -21 1  10 o 159.8373 15.82291 2264.203       426.2101 2225.000       602.6269 2303.439       602.8775 155.1636 23.47725 158.1547 22.99630 -2.991089      32.86353 
1 1 1 -21 1  11 o 251.7063 19.64465 5685.953       837.6975 5981.399       1184.234 5390.059       1185.132 252.1320 27.97642 237.7585 29.84746 14.37347       40.90906 
1 1 1 -21 1  12 o 169.0624 16.19394 2539.337       461.8013 2660.249       650.3702 2416.384       655.8354 169.8562 23.01484 160.9134 24.65267 8.942749       33.72591 
1 1 1 -21 1  13 o 271.6087 20.70842 6674.532       953.2516 6445.398       1344.088 6906.423       1352.151 258.1206 31.12085 268.3235 30.02432 -10.20285      43.24311 
1 1 1 -21 1  14 o 77.81237 16.52119 554.4881       212.7441 593.6351       287.1820 506.8764       316.7122 79.64066 20.86587 74.10688 22.80033 5.533775       30.90695 
1 1 1 -21 1  15 o 185.1275 16.67843 3061.993       521.6027 2952.372       728.7241 3177.159       746.9279 177.2238 24.75480 184.2014 24.34194 -6.977631      34.71786 
1 1 1 -21 1  16 o 102.2909 24.16181 1005.560       415.3288 1005.560       415.3288 0.000000       0.000000 102.2909 24.16181 ?        ?        0.000000       24.16181 
1 1 1 -21 1  17 o 192.8043 24.80283 3529.389       797.6833 0.000000       0.000000 3529.389       797.6833 ?        ?        192.8043 24.80283 0.000000       24.80283 
1 1 1 -21 1  18 o 110.0493 15.12358 1092.304       276.7005 1605.651       482.8843 841.3463       337.6273 130.1252 22.54795 93.92715 21.51227 36.19801       31.16389 
1 1 1 -21 1  19 o 89.23196 13.58798 717.4063       200.5130 640.4342       279.7072 798.7800       287.5937 82.04112 20.11876 92.26393 18.88934 -10.22281      27.59659 
1 1 1 -21 1  20 o 206.5928 8.948133 3702.229       315.6818 3439.097       784.8002 3753.023       344.8069 188.2869 25.02841 207.7120 9.721032 -19.42516      26.84995 
1 1 1 -21 1  21 o 73.33995 11.08222 480.9377       134.4651 361.2475       232.7896 540.8683       164.7246 62.36367 19.60724 77.28551 12.93863 -14.92184      23.49153 
1 1 1 -21 1  22 o 219.6743 18.37254 4460.832       682.8801 4301.293       965.2264 4620.709       966.2508 205.6455 28.23063 214.6695 26.95248 -9.023987      39.03082 
1 1 1 -21 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 1  24 o 352.3916 8.259560 10782.05       497.0320 11686.99       715.1766 9936.648       691.2526 364.0493 11.50406 335.1385 12.07843 28.91074       16.68028 
1 1 1 -21 1  25 o 205.8798 7.366580 3672.678       258.9891 3514.643       369.3653 3825.519       363.2433 199.4189 10.88764 208.7332 10.19071 -9.314301      14.91278 
1 1 1 -21 1  26 o 34.84653 15.19941 -11.33987      170.3561 -114.1233      233.1180 106.4552       249.5615 36.56450 16.71123 46.84455 19.30637 -10.28005      25.53432 
1 1 1 -21 1  27 o 102.7260 18.29063 1029.237       309.0951 0.000000       0.000000 1029.237       309.0951 ?        ?        102.7260 18.29063 0.000000       18.29063 
1 1 1 -21 1  28 o 76.28606 14.20833 554.8251       178.2824 510.7057       239.3954 609.7630       267.1387 70.33110 19.33339 76.37775 20.17937 -6.046654      27.94614 
1 1 1 -21 1  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 1  30 o 74.15966 11.15276 515.1274       136.8657 452.2044       178.8104 604.1461       212.6808 66.46304 15.95653 76.51646 16.74220 -10.05341      23.12817 
1 1 1 -21 1  31 o 30.09071 13.25696 -1.186213      132.5119 -67.52263      176.2252 85.12324       201.0117 31.23331 14.36849 39.64325 16.89038 -8.409931      22.17518 
1 1 1 -21 1  32 o 21.76876 10.50171 -149.6527      116.9935 -126.3249      158.4459 -177.6182      173.4824 27.13131 12.84721 27.02132 12.97203 0.1099930      18.25717 
1 1 1 -21 1  33 o 40.64938 13.76517 170.9464       113.7488 226.7637       184.5714 136.7635       144.4388 45.25438 17.23458 38.39749 15.07705 6.856888       22.89865 
1 1 1 -21 1  34 o 31.04462 12.70034 71.08813       107.0060 -30.35745      174.9192 131.7564       135.2701 30.68122 14.18595 36.79105 14.54456 -6.109838      20.31712 
1 1 1 -21 1  35 o 23.69782 11.23330 -85.08044      121.7701 -56.22242      153.1124 -134.7475      200.8683 27.60245 12.93195 28.70949 13.82735 -1.107038      18.93228 
1 1 1 -21 1  36 o 77.31993 11.56783 633.1921       148.0443 480.6037       226.2801 747.3882       195.7543 54.71600 19.36892 79.13672 15.03514 -24.42072      24.51960 
1 1 1 -21 2  1  o 141.0193 4.840767 1703.136       116.5721 1828.723       161.6277 1566.983       168.2897 145.9501 6.484992 134.8042 7.338222 11.14595       9.793090 
1 1 1 -21 2  2  o 218.1253 5.244331 4076.558       195.3431 3967.627       268.8240 4198.429       284.3425 214.8366 7.327533 220.9539 7.535953 -6.117279      10.51110 
1 1 1 -21 2  3  o 107.1567 5.555044 986.7502       101.3015 955.1352       126.4587 1043.372       169.2366 105.2085 7.079948 109.6162 9.123907 -4.407707      11.54865 
1 1 1 -21 2  4  o 122.5159 6.480457 1291.554       135.0992 1325.006       150.9882 1157.234       302.5508 123.9922 7.161424 113.6858 16.02929 10.30636       17.55631 
1 1 1 -21 2  5  o 314.0023 9.435421 8505.701       505.9365 8253.199       549.8987 9898.148       1291.340 308.9580 10.42273 329.7631 23.07718 -20.80508      25.32172 
1 1 1 -21 2  6  f 149.5952 6.559607 1920.258       167.5705 1905.007       187.0584 1982.220       377.0552 148.9052 7.356400 149.7634 14.94289 -0.8581238     16.65553 
1 1 1 -21 2  7  f 239.9232 8.209981 4952.985       336.3693 4822.307       368.8887 5597.668       819.3441 236.5212 9.133208 250.0787 19.33639 -13.55753      21.38484 
1 1 1 -21 2  8  o 221.9390 7.213816 4230.934       273.4014 4295.160       302.2423 3941.768       641.3198 223.4805 7.919790 210.2715 18.03498 13.20894       19.69730 
1 1 1 -21 2  9  o 185.6382 7.130379 2959.858       226.0382 2998.561       252.8725 2805.983       504.2099 186.7177 7.930749 177.6649 16.81933 9.052750       18.59534 
1 1 1 -21 2  10 o 158.0560 15.51218 2212.884       413.2881 2264.298       584.3199 2161.414       584.6356 156.9376 22.44234 152.9596 23.10229 3.978027       32.20831 
1 1 1 -21 2  11 o 118.6575 14.95653 1252.533       296.3268 1407.104       415.3063 1092.230       422.9366 123.9214 20.33075 107.6547 23.65209 16.26665       31.18911 
1 1 1 -21 2  12 o 97.69947 15.40709 857.6793       248.5306 850.2731       340.5009 866.1236       363.5841 95.37073 21.42989 95.92633 22.57190 -0.5556030     31.12444 
1 1 1 -21 2  13 o 51.69544 17.30882 225.9892       179.8332 90.27787       245.2068 383.9407       264.5370 47.23867 19.26393 65.49602 20.93663 -18.25735      28.45069 
1 1 1 -21 2  14 f 58.02694 20.63035 272.0337       256.9806 272.0337       256.9806 0.000000       0.000000 58.02694 20.63035 ?        ?        0.000000       20.63035 
1 1 1 -21 2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 2  16 o 34.46294 13.67912 58.56717       120.0980 -21.51914      229.6732 88.70651       140.8958 40.63256 17.68753 38.66505 14.97244 1.967506       23.17375 
1 1 1 -21 2  17 o 174.6724 15.56428 2728.323       459.3896 3054.477       678.4756 2452.215       624.2560 180.6904 22.47416 161.1198 23.37090 19.57062       32.42355 
1 1 1 -21 2  18 o 49.74186 15.72429 219.0879       149.5354 517.8296       338.9512 146.8915       166.6275 74.19324 23.69725 44.73209 16.51309 29.46115       28.88325 
1 1 1 -21 2  19 o 36.22122 14.04636 77.85403       124.1445 224.9546       354.9229 57.34818       132.5152 59.29686 23.52217 35.50333 14.27525 23.79352       27.51500 
1 1 1 -21 2  20 o 100.2106 8.636621 876.5425       146.3514 676.1940       237.2760 999.5662       185.9324 85.26569 16.89316 106.5775 10.34654 -21.31178      19.80984 
1 1 1 -21 2  21 o 37.93711 13.00843 118.2741       101.5996 20.20242       141.4661 222.7449       146.0085 33.91436 14.29623 49.74025 15.51041 -15.82589      21.09396 
1 1 1 -21 2  22 o 68.15577 15.84524 434.7758       180.9219 484.4319       246.6941 376.9851       266.1347 71.01442 19.66827 63.72580 21.04668 7.288616       28.80631 
1 1 1 -21 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 2  24 o 88.50511 12.53562 707.1926       184.1620 475.6444       295.2184 854.7014       235.6306 69.99058 22.09046 96.51255 14.76664 -26.52197      26.57145 
1 1 1 -21 2  25 f 91.74414 13.62295 768.9515       206.9467 0.000000       0.000000 768.9515       206.9467 ?        ?        91.74414 13.62295 0.000000       13.62295 
1 1 1 -21 2  26 o 134.5010 10.21010 1602.696       232.7578 1915.140       326.8045 1281.043       331.5859 145.3180 13.31756 116.3664 17.20530 28.95158       21.75729 
1 1 1 -21 2  27 o 93.78885 13.33063 813.3148       207.4942 895.0770       292.4298 730.4116       294.4630 95.23515 18.64870 84.58399 20.58194 10.65115       27.77392 
1 1 1 -21 2  28 o 42.33577 15.76881 146.9215       152.6187 -177.0373      277.8866 286.8437       182.6274 37.32684 17.46683 53.99881 17.41008 -16.67197      24.66173 
1 1 1 -21 2  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 2  30 o 26.24243 12.23456 -94.63819      134.3054 -203.2012      206.0383 -14.42752      177.1019 29.97097 14.32052 33.87268 15.10172 -3.901711      20.81200 
1 1 1 -21 2  31 o 73.83749 13.35649 540.0801       162.2119 540.0801       162.2119 0.000000       0.000000 73.83749 13.35649 ?        ?        0.000000       13.35649 
1 1 1 -21 2  32 o 94.21636 8.767933 816.3613       139.4478 1064.687       190.2673 528.1740       204.9702 105.9475 10.66130 68.50439 17.46770 37.44310       20.46421 
1 1 1 -21 2  33 o 37.60383 13.12357 141.4917       103.6262 105.8821       149.8307 174.1443       143.4751 36.43492 14.98106 41.00235 15.28579 -4.567425      21.40298 
1 1 1 -21 2  34 o 48.98139 14.10293 269.7016       124.3529 200.3935       178.0577 335.6929       173.7448 41.91328 16.64978 51.70636 17.00203 -9.793079      23.79672 
1 1 1 -21 2  35 o 32.05100 13.42557 79.57411       123.4862 187.8680       167.4341 -49.58599      182.8546 40.15110 16.08069 29.90767 14.05031 10.24343       21.35416 
1 1 1 -21 2  36 o 36.58655 14.83398 153.0943       144.3877 77.74557       192.0599 251.0328       218.9654 33.92763 15.37407 41.72865 17.69872 -7.801025      23.44370 
1 1 1 -21 3  1  o 25.70658 10.12815 32.70256       65.38663 37.24702       78.39513 22.31461       118.5257 27.92472 11.06199 31.74323 13.21261 -3.818518      17.23196 
1 1 1 -21 3  2  f 172.9536 5.162748 2562.943       152.4799 2550.820       209.0134 2576.735       222.9377 172.2775 7.104664 173.0784 7.542907 -0.8009338     10.36203 
1 1 1 -21 3  3  o 311.0282 8.668923 8339.312       460.4334 8281.899       500.5297 8655.191       1174.063 309.6723 9.465106 307.9123 22.48408 1.760010       24.39512 
1 1 1 -21 3  4  o 181.5904 6.651468 2831.087       206.2587 2815.945       226.5477 2904.448       498.6491 180.9974 7.329684 180.7853 16.32837 0.2121735      17.89804 
1 1 1 -21 3  5  o 202.4542 7.030352 3520.715       243.0556 3474.364       266.4754 3750.182       592.9072 200.9851 7.764102 205.3352 17.06371 -4.350113      18.74704 
1 1 1 -21 3  6  o 225.3866 7.450523 4366.207       286.7589 4295.762       313.6917 4724.407       707.3594 223.4003 8.222756 230.1040 18.14905 -6.703720      19.92491 
1 1 1 -21 3  7  o 134.7282 7.000014 1563.066       160.4946 1548.886       180.9670 1615.314       347.3800 133.9507 7.946916 134.8587 15.35821 -0.9079895     17.29243 
1 1 1 -21 3  8  f 157.0852 6.903586 2118.976       185.1876 2100.054       208.3102 2190.295       404.4210 156.2582 7.806670 157.3049 15.24671 -1.046707      17.12910 
1 1 1 -21 3  9  o 180.3031 6.651506 2790.673       204.7977 3006.267       234.1786 2089.570       422.2981 187.0305 7.332173 153.1665 16.40050 33.86401       17.96489 
1 1 1 -21 3  10 o 74.47926 11.04597 490.7062       136.2308 424.8827       165.9971 626.4973       238.4217 68.40176 14.65252 82.68044 17.43550 -14.27867      22.77484 
1 1 1 -21 3  11 o 139.4094 15.94580 1732.799       372.7836 1668.827       516.4983 1802.359       538.5862 133.6214 23.49312 138.9564 23.53760 -5.335022      33.25575 
1 1 1 -21 3  12 o 176.8108 16.56599 2786.458       494.3510 2731.253       680.1920 2848.265       719.7170 171.2898 23.90554 174.4032 24.87051 -3.113419      34.49663 
1 1 1 -21 3  13 f 255.8595 30.20432 6333.309       1294.246 6333.309       1294.246 0.000000       0.000000 255.8595 30.20432 ?        ?        0.000000       30.20432 
1 1 1 -21 3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 3  15 o 204.0650 17.32666 3740.517       598.0810 3786.610       863.1840 3697.955       829.4526 199.4749 25.95519 197.7142 25.13511 1.760666       36.13095 
1 1 1 -21 3  16 o 68.73393 16.04684 435.9119       184.9261 642.3151       317.8273 330.2718       227.3775 82.08131 22.15815 60.63656 19.41341 21.44476       29.45954 
1 1 1 -21 3  17 o 128.9883 14.14749 1484.738       306.5095 1726.799       456.7059 1286.354       413.4539 136.3635 20.22574 116.7391 21.53334 19.62437       29.54260 
1 1 1 -21 3  18 o 33.73021 13.17290 63.73685       109.7801 30.51181       288.2642 69.37299       118.7268 47.20266 20.17170 35.06749 13.69805 12.13517       24.38307 
1 1 1 -21 3  19 f 147.4736 8.932438 1892.321       223.8893 2257.274       575.9733 1827.362       242.9991 154.0095 22.57021 144.6026 9.900296 9.406937       24.64610 
1 1 1 -21 3  20 o 47.32191 14.66687 200.3725       130.7831 229.6670       363.7483 196.0234       140.1555 59.60599 23.75970 47.20569 15.25521 12.40030       28.23552 
1 1 1 -21 3  21 o 147.8425 12.68398 1945.409       317.1253 2126.791       399.8278 1637.766       520.7139 153.1360 15.50314 128.6826 24.59270 24.45343       29.07143 
1 1 1 -21 3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 3  24 o 66.08617 19.64535 420.3542       237.9743 0.000000       0.000000 420.3542       237.9743 ?        ?        66.08617 19.64535 0.000000       19.64535 
1 1 1 -21 3  25 o 102.2003 11.54005 935.4833       197.8739 942.6332       342.1338 931.8897       242.5558 97.66724 21.12792 100.6787 14.52867 -3.011482      25.64121 
1 1 1 -21 3  26 o 123.5081 9.338561 1346.683       195.5046 1592.134       324.5300 1206.863       244.9391 131.3123 14.72637 115.3189 12.64560 15.99339       19.41075 
1 1 1 -21 3  27 o 98.81636 8.919997 866.4908       148.8978 1058.812       276.8883 788.2498       176.6071 105.3597 15.88296 93.14372 11.33716 12.21600       19.51409 
1 1 1 -21 3  28 o 36.23242 15.28039 45.99037       161.7329 -416.8890      278.1112 282.5247       198.8070 31.80289 15.53524 53.54828 18.19770 -21.74538      23.92698 
1 1 1 -21 3  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 3  30 o 57.92826 15.64506 346.3016       158.4025 660.6163       235.3234 85.89613       214.1943 78.67261 17.91707 40.90005 17.43087 37.77255       24.99714 
1 1 1 -21 3  31 o 23.30469 10.96267 -93.36105      111.9376 -160.2824      170.6805 -42.85287      148.2799 27.46634 13.09882 29.50589 13.42401 -2.039555      18.75588 
1 1 1 -21 3  32 o 52.59597 16.81073 310.7746       170.5520 310.7746       170.5520 0.000000       0.000000 52.59597 16.81073 ?        ?        0.000000       16.81073 
1 1 1 -21 3  33 o 22.21607 10.47916 -82.42149      103.5644 -127.2965      155.6399 -46.76409      138.7374 26.22816 12.50834 27.54423 12.69977 -1.316067      17.82534 
1 1 1 -21 3  34 o 42.26382 14.96253 204.9920       135.0381 326.7736       172.8215 14.07738       216.3848 50.75681 16.96817 34.38227 15.85529 16.37454       23.22303 
1 1 1 -21 3  35 o 45.31760 15.09301 249.6146       136.7582 268.5591       170.4538 215.3869       229.1156 45.36153 16.70918 41.60286 17.88634 3.758675       24.47688 
1 1 1 -21 3  36 o 29.65798 12.82902 59.18455       119.3147 29.22544       161.1981 95.48579       177.4420 30.45722 13.91080 33.93163 15.12297 -3.474409      20.54786 
1 1 1 -21 4  1  o 107.8681 5.833276 1001.081       107.0509 841.1653       133.5624 1288.371       179.0186 98.49747 8.010056 121.9038 8.655884 -23.40635      11.79344 
1 1 1 -21 4  2  o 324.7763 9.520931 9118.707       528.0386 9021.060       551.0963 10212.92       1844.791 322.8287 9.996623 319.9205 34.30296 2.908264       35.72990 
1 1 1 -21 4  3  o 94.38076 6.980840 769.6266       111.7123 803.3314       125.9520 645.3390       241.8651 96.31216 7.723083 83.82165 17.46395 12.49051       19.09544 
1 1 1 -21 4  4  f 188.9887 6.704776 3067.690       216.3824 3037.198       237.0392 3220.122       529.9805 187.9288 7.386266 190.1865 16.48137 -2.257706      18.06080 
1 1 1 -21 4  5  o 172.4213 6.605034 2552.812       194.4768 2522.831       214.2804 2692.894       463.1757 171.2943 7.325506 174.1568 15.74436 -2.862427      17.36514 
1 1 1 -21 4  6  f 30.09865 11.92332 43.56222       91.07989 -19.08662      109.3362 185.6032       164.6320 27.91791 12.17700 47.85044 16.55038 -19.93253      20.54737 
1 1 1 -21 4  7  f 147.1051 6.281119 1856.964       157.7854 1880.878       174.9916 1752.987       364.8918 147.9696 6.925370 140.3903 15.47761 7.579300       16.95633 
1 1 1 -21 4  8  o 36.08500 11.18101 112.6245       76.01038 140.6202       91.21694 49.01822       137.4925 40.09696 12.21820 35.65623 14.46893 4.440727       18.93764 
1 1 1 -21 4  9  o 113.0548 6.855342 1101.863       131.7235 1084.112       148.2368 1168.487       287.1802 111.9785 7.800825 114.4321 15.06217 -2.453598      16.96236 
1 1 1 -21 4  10 o 142.5941 7.185316 1752.168       174.4022 1737.269       196.4390 1807.623       378.9755 141.7993 8.146662 142.3882 15.85528 -0.5888367     17.82577 
1 1 1 -21 4  11 o 135.4934 7.417377 1583.703       170.9694 1660.104       198.2854 1362.292       337.5496 138.5311 8.421845 123.1239 16.46688 15.40718       18.49556 
1 1 1 -21 4  12 o 219.2280 8.724876 4147.050       326.6310 4147.050       326.6310 0.000000       0.000000 219.2280 8.724876 ?        ?        0.000000       8.724876 
1 1 1 -21 4  13 o 265.9432 19.52200 6401.707       880.3790 6990.468       1252.799 5827.302       1237.431 270.7026 27.48214 244.3075 30.31196 26.39514       40.91556 
1 1 1 -21 4  14 f 109.2683 14.59836 1069.212       265.5844 1152.668       410.5714 1009.166       348.2598 110.3059 22.55745 103.9517 20.34708 6.354126       30.37832 
1 1 1 -21 4  15 f 281.2368 21.03173 7264.927       1002.753 7640.469       1428.524 6900.144       1407.914 278.0021 30.59759 262.3810 32.09147 15.62109       44.34044 
1 1 1 -21 4  16 o 109.8826 9.967937 1056.366       185.0052 1176.401       382.8702 1019.802       211.3122 111.9071 20.80078 107.4607 11.70453 4.446404       23.86773 
1 1 1 -21 4  17 f 101.3866 10.43278 903.7272       178.0488 1172.087       395.9472 835.7077       199.3402 111.0401 21.65904 96.90265 12.32532 14.13742       24.92042 
1 1 1 -21 4  18 o 240.2027 9.142467 5004.722       375.0103 7067.671       1155.148 4761.687       396.4853 270.9818 25.25381 233.9719 9.923422 37.00989       27.13354 
1 1 1 -21 4  19 o 25.77466 11.60722 -49.56305      107.5210 -56.25252      282.4426 -48.42932      116.2759 43.30476 19.20223 27.04041 12.13282 16.26435       22.71411 
1 1 1 -21 4  20 o 44.66932 14.38792 175.0472       124.7502 36.34303       275.2106 210.9173       139.9544 46.20361 19.72632 48.51591 15.19475 -2.312302      24.89996 
1 1 1 -21 4  21 o 69.30538 18.25794 456.9497       219.0984 485.9204       416.0228 445.8303       257.7379 72.52356 26.19616 68.29005 20.47775 4.233505       33.25022 
1 1 1 -21 4  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 4  23 o 113.3417 11.76020 1145.154       224.3047 0.000000       0.000000 1145.154       224.3047 ?        ?        113.3417 11.76020 0.000000       11.76020 
1 1 1 -21 4  24 o 179.1848 7.739573 2785.743       236.8210 2739.835       422.6682 2806.750       285.9156 173.8619 14.36483 178.9621 9.388431 -5.100159      17.16074 
1 1 1 -21 4  25 f 118.7597 8.609617 1236.765       173.4184 1139.855       293.2982 1288.856       215.0330 110.5325 16.00455 120.4645 10.55965 -9.931961      19.17425 
1 1 1 -21 4  26 o 31.77077 14.20500 -45.04061      157.8941 -41.56536      293.7826 -46.45219      187.2348 43.35994 19.38221 34.64914 15.48195 8.710800       24.80647 
1 1 1 -21 4  27 o 73.66093 14.13955 516.5917       171.3914 343.7060       269.5085 633.9873       222.0849 59.01341 21.11163 80.26968 16.74372 -21.25628      26.94537 
1 1 1 -21 4  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 4  29 o 47.85471 15.58390 226.4391       146.1006 156.3823       219.8099 281.8836       195.5469 45.20595 18.31182 52.48663 18.04412 -7.280678      25.70823 
1 1 1 -21 4  30 o 57.82706 13.83391 335.8459       134.7750 622.0078       230.6271 187.4377       166.0862 75.65271 18.09535 44.40075 16.46724 31.25196       24.46654 
1 1 1 -21 4  31 o 33.10138 13.26381 75.74701       113.9740 -42.22400      172.8992 166.4029       151.5665 31.60904 14.42520 41.78667 15.68474 -10.17764      21.30956 
1 1 1 -21 4  32 o 84.52641 9.428452 670.2926       133.7737 528.2610       180.6908 842.5685       199.0012 69.77366 15.56113 91.27619 13.14642 -21.50253      20.37099 
1 1 1 -21 4  33 o 36.63176 13.16899 135.0696       104.9873 109.3912       151.0622 159.0608       146.0152 36.21465 14.98180 39.36570 15.24250 -3.151051      21.37260 
1 1 1 -21 4  34 o 50.49868 14.40215 294.0594       130.2736 97.92125       172.2824 555.9554       199.0785 35.56711 15.40044 66.35461 17.36697 -30.78750      23.21175 
1 1 1 -21 4  35 f 32.80548 13.72183 92.63747       128.7302 8.121228       156.7142 267.9729       225.7216 29.99207 13.70519 43.52034 18.18401 -13.52827      22.77039 
1 1 1 -21 4  36 o 29.72647 12.99824 56.95814       125.2753 163.2209       151.8452 -169.5344      221.6856 36.80180 15.10077 27.99457 13.71600 8.807234       20.40005 
1 1 1 -21 5  1  o 322.1660 6.903575 8924.200       379.8006 9073.184       531.0757 8768.236       543.3736 323.7897 9.604870 318.1219 10.00237 5.667847       13.86726 
1 1 1 -21 5  2  o 133.8721 6.333965 1539.097       144.7997 1516.856       159.8825 1640.570       341.5107 132.6205 7.085379 135.6846 14.98942 -3.064102      16.57967 
1 1 1 -21 5  3  o 226.5498 7.182700 4414.419       277.8774 4371.820       303.2230 4637.753       694.2866 225.2866 7.881789 227.2456 18.03963 -1.959045      19.68631 
1 1 1 -21 5  4  o 240.2760 7.304704 4966.280       299.7195 4959.978       327.1714 4999.176       747.4941 239.9499 7.984594 235.6067 18.73351 4.343201       20.36414 
1 1 1 -21 5  5  o 65.60322 7.951653 375.9561       87.26099 395.1918       97.63781 299.6161       194.5087 67.13632 8.722521 57.85153 17.87955 9.284794       19.89374 
1 1 1 -21 5  6  o 220.9960 6.568216 4194.846       247.8756 4335.928       271.4638 3487.239       607.9563 224.5743 7.078641 196.8758 18.29246 27.69855       19.61431 
1 1 1 -21 5  7  o 51.23136 10.14903 234.9911       85.64989 247.9919       96.41418 186.3264       186.5362 52.49133 11.10277 49.00550 17.56031 3.485836       20.77585 
1 1 1 -21 5  8  o 81.93142 8.102098 583.8674       111.8720 581.5643       128.3967 591.1271       227.9600 81.51199 9.396295 80.17286 17.16823 1.339134       19.57137 
1 1 1 -21 5  9  o 87.56825 7.305452 664.1174       108.2462 651.7931       120.5211 715.5427       246.1900 86.57659 8.251808 88.45756 16.91443 -1.880966      18.81995 
1 1 1 -21 5  10 o 67.50525 8.912182 400.0764       100.2243 422.5889       113.5076 320.4245       213.5067 69.20143 9.886238 59.80798 18.77338 9.393448       21.21738 
1 1 1 -21 5  11 o 82.19608 10.03443 593.6512       137.9223 593.6512       137.9223 0.000000       0.000000 82.19608 10.03443 ?        ?        0.000000       10.03443 
1 1 1 -21 5  12 o 96.23415 7.997321 803.7073       130.2337 756.3019       149.6666 951.5277       264.2885 93.00629 9.559517 102.6779 15.56062 -9.671585      18.26245 
1 1 1 -21 5  13 o 136.8750 7.630930 1619.075       177.6528 1721.302       198.6885 1211.536       396.7122 140.9931 8.288717 113.6853 21.21508 27.30789       22.77679 
1 1 1 -21 5  14 o 94.55575 8.831061 779.5161       140.9438 907.3012       170.6519 505.2918       249.9907 101.8081 9.942737 73.36881 19.58631 28.43933       21.96546 
1 1 1 -21 5  15 o 92.11820 10.68161 747.9135       164.9105 744.9138       325.9696 748.9453       191.1812 88.26498 21.76385 91.65337 12.54428 -3.388397      25.12020 
1 1 1 -21 5  16 o 188.7525 9.689552 3101.156       311.2663 3893.207       801.2881 2960.395       337.7944 202.6546 23.59600 183.9822 10.79897 18.67238       25.94974 
1 1 1 -21 5  17 o 169.7256 9.049941 2504.495       261.3511 3000.260       626.8707 2400.193       287.5320 179.3062 20.86301 165.7395 10.20885 13.56667       23.22684 
1 1 1 -21 5  18 o 99.45819 9.733356 868.3311       163.1935 966.7764       370.4175 844.6208       181.7866 99.91704 22.27751 97.68172 11.09482 2.235313       24.88739 
1 1 1 -21 5  19 o 31.66804 13.10130 29.39144       115.5251 81.11958       251.0208 15.49109       130.1245 46.49776 19.28048 32.40653 13.68861 14.09122       23.64561 
1 1 1 -21 5  20 o 150.6595 26.40594 2275.917       654.5955 2275.917       654.5955 0.000000       0.000000 150.6595 26.40594 ?        ?        0.000000       26.40594 
1 1 1 -21 5  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 5  22 o 151.5723 10.13101 2018.161       260.7148 0.000000       0.000000 2018.161       260.7148 ?        ?        151.5723 10.13101 0.000000       10.13101 
1 1 1 -21 5  23 o 83.12495 14.91922 640.0537       203.9951 0.000000       0.000000 640.0537       203.9951 ?        ?        83.12495 14.91922 0.000000       14.91922 
1 1 1 -21 5  24 o 71.90654 18.46041 501.1534       227.8385 0.000000       0.000000 501.1534       227.8385 ?        ?        71.90654 18.46041 0.000000       18.46041 
1 1 1 -21 5  25 o 151.4744 8.663881 2013.721       223.1758 1721.099       367.6873 2184.412       280.8219 135.5024 16.21213 156.7732 10.55095 -21.27086      19.34310 
1 1 1 -21 5  26 o 56.95482 18.17386 316.7317       199.3954 515.4155       294.7467 149.0776       270.7540 70.15384 22.06375 49.13977 20.16403 21.01407       29.88975 
1 1 1 -21 5  27 o 175.0057 7.469311 2686.341       223.2208 2736.382       339.7987 2648.353       296.0646 173.1442 11.55886 171.5947 10.14883 1.549469       15.38200 
1 1 1 -21 5  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 5  29 o 117.9363 8.136260 1244.723       162.8581 1032.909       275.2882 1358.767       201.9976 100.5271 16.61681 122.0269 9.775763 -21.49979      19.27910 
1 1 1 -21 5  30 o 81.14171 9.390754 607.0091       127.7161 389.7825       197.1205 764.1730       167.6685 59.23886 17.94123 89.84489 11.16945 -30.60603      21.13396 
1 1 1 -21 5  31 o 79.89318 10.84764 610.2155       144.1681 597.5598       209.9807 621.5012       198.2900 73.54607 17.05130 76.42095 15.71915 -2.874886      23.19135 
1 1 1 -21 5  32 o 89.46149 8.923248 748.1519       134.5016 757.5248       182.4398 736.9918       199.0749 86.37715 12.75204 83.31305 14.52055 3.064102       19.32514 
1 1 1 -21 5  33 o 25.72337 11.75177 -28.31002      115.1385 -86.72959      144.4149 73.60885       190.7481 26.17757 12.35593 35.74047 15.81749 -9.562902      20.07142 
1 1 1 -21 5  34 o 25.46219 11.75093 -36.01386      119.1989 37.42150       153.5263 -147.4648      189.1350 31.52853 14.05834 27.60698 13.32691 3.921556       19.37120 
1 1 1 -21 5  35 o 41.40170 15.89639 221.7467       157.8215 221.7467       157.8215 0.000000       0.000000 41.40170 15.89639 ?        ?        0.000000       15.89639 
1 1 1 -21 6  1  o 206.4905 14.63200 3778.401       512.6067 3352.570       908.5356 3977.263       620.8674 184.3754 29.87855 210.2931 17.44664 -25.91776      34.59932 
1 1 1 -21 6  2  o 124.4219 5.484515 1327.901       116.5298 1292.948       151.4161 1378.676       182.4980 122.3483 7.280114 126.0906 8.525757 -3.742233      11.21109 
1 1 1 -21 6  3  o 155.6377 4.932718 2075.865       131.1001 2147.313       178.7468 1992.686       192.8640 158.0607 6.622355 152.1347 7.423709 5.926010       9.948218 
1 1 1 -21 6  4  o 61.48011 8.384731 331.9481       85.73338 300.0826       94.48740 480.4082       203.9473 58.08750 9.879259 72.12748 16.86061 -14.03998      19.54175 
1 1 1 -21 6  5  o 131.2794 6.289429 1480.166       140.9970 1509.715       148.7061 1217.138       443.6688 132.5480 6.569822 112.9952 23.74737 19.55280       24.63940 
1 1 1 -21 6  6  o 156.8371 6.358500 2112.906       170.2964 2088.544       186.1336 2238.070       421.8952 155.8322 6.994641 158.2758 15.82143 -2.443558      17.29863 
1 1 1 -21 6  7  o 129.4224 6.197953 1438.352       136.9808 1518.088       153.7948 1132.338       301.2912 132.7128 6.809128 111.9678 16.23085 20.74500       17.60127 
1 1 1 -21 6  8  o 137.2926 6.563863 1619.762       153.8894 1598.945       168.4827 1724.553       378.0135 136.1190 7.274615 138.5678 16.28570 -2.448746      17.83659 
1 1 1 -21 6  9  o 179.6136 7.358001 2777.053       225.6841 2797.339       238.1020 2597.657       708.0777 180.1911 7.737985 164.8095 26.02292 15.38159       27.14901 
1 1 1 -21 6  10 f 90.79297 7.005990 713.2707       107.7835 713.0392       122.7083 714.0524       225.4987 90.59439 8.014472 88.68770 15.45101 1.906693       17.40590 
1 1 1 -21 6  11 f 131.2899 6.867473 1486.646       153.4329 1490.255       173.9954 1474.026       325.3567 131.2602 7.797544 128.3053 15.14126 2.954941       17.03113 
1 1 1 -21 6  12 o 95.49872 6.835862 788.5320       110.7417 795.7724       125.4186 762.9146       235.9131 95.77235 7.734665 91.58615 15.64601 4.186195       17.45344 
1 1 1 -21 6  13 o 263.2740 7.845644 5979.848       352.7269 5953.270       385.7971 6115.241       870.7557 262.4122 8.609405 258.5029 19.87789 3.909241       21.66223 
1 1 1 -21 6  14 o 128.8650 6.729138 1432.922       147.5663 1545.395       193.2824 1275.745       228.4882 133.4266 8.527551 120.4222 11.24103 13.00443       14.10957 
1 1 1 -21 6  15 o 157.0152 7.034316 2124.009       188.6103 2292.378       265.6524 1952.865       267.8315 162.2156 9.633236 149.3697 10.56841 12.84584       14.30002 
1 1 1 -21 6  16 o 105.4762 8.735636 970.0880       155.9280 1075.132       218.1107 860.2803       223.0016 110.1832 11.77433 97.77779 13.73441 12.40544       18.09058 
1 1 1 -21 6  17 o 88.27333 10.75323 690.0765       158.7457 459.0010       346.5722 751.4296       178.5808 70.46016 24.02649 91.89677 11.64074 -21.43661      26.69793 
1 1 1 -21 6  18 o 133.3786 14.57123 1603.150       326.4834 2031.226       497.2032 1278.663       432.8846 146.9071 20.36728 114.6532 22.91109 32.25386       30.65524 
1 1 1 -21 6  19 o 188.0428 28.08931 3581.492       874.3361 3581.492       874.3361 0.000000       0.000000 188.0428 28.08931 ?        ?        0.000000       28.08931 
1 1 1 -21 6  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 6  21 o 69.46252 19.89439 463.9025       248.0476 0.000000       0.000000 463.9025       248.0476 ?        ?        69.46252 19.89439 0.000000       19.89439 
1 1 1 -21 6  22 o 201.5362 9.321199 3545.619       320.7945 0.000000       0.000000 3545.619       320.7945 ?        ?        201.5362 9.321199 0.000000       9.321199 
1 1 1 -21 6  23 o 193.4825 11.06638 3313.401       364.1183 0.000000       0.000000 3313.401       364.1183 ?        ?        193.4825 11.06638 0.000000       11.06638 
1 1 1 -21 6  24 o 75.15430 18.34644 552.1891       233.3987 0.000000       0.000000 552.1891       233.3987 ?        ?        75.15430 18.34644 0.000000       18.34644 
1 1 1 -21 6  25 o 172.4976 8.762003 2620.147       257.2526 2672.978       389.9687 2579.445       342.2956 170.7617 13.48295 168.9801 11.93900 1.781570       18.00915 
1 1 1 -21 6  26 o 59.27896 15.61965 345.4110       160.3328 439.2173       241.8099 271.8140       214.1847 65.00486 19.90975 53.33991 18.84818 11.66495       27.41628 
1 1 1 -21 6  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 6  28 o 82.05473 11.26105 628.6757       153.6307 265.8936       251.5560 844.4758       194.0160 52.11832 20.05524 94.53029 12.31100 -42.41197      23.53239 
1 1 1 -21 6  29 o 74.90949 12.09652 539.2938       149.4663 523.4102       225.7306 551.6948       199.4543 68.56504 18.74284 72.46174 16.48971 -3.896698      24.96406 
1 1 1 -21 6  30 o 57.78025 14.48471 346.9133       142.6476 66.92266       222.8170 541.3679       185.6888 39.49330 17.30026 71.65337 15.61665 -32.16007      23.30620 
1 1 1 -21 6  31 o 45.64967 14.88118 222.5991       133.2087 167.7520       202.9357 264.1224       176.5743 42.54776 17.45778 48.43608 17.11371 -5.888325      24.44694 
1 1 1 -21 6  32 o 26.42600 11.91864 -16.01058      113.8711 -19.50374      152.6751 -11.63138      170.9453 29.77574 13.57564 31.47495 14.35603 -1.699203      19.75838 
1 1 1 -21 6  33 f 35.12365 13.60661 121.2787       116.3993 145.5520       145.4835 78.10050       194.0360 37.62229 15.01688 35.65916 15.85887 1.963127       21.84057 
1 1 1 -21 6  34 f 43.05182 14.11139 217.2743       119.7228 280.6522       152.4856 115.4130       193.3146 46.97186 15.93744 36.44626 16.03612 10.52560       22.60883 
1 1 1 -21 6  35 o 42.24423 14.63924 225.8072       128.8353 384.2758       153.9206 -145.0293      235.4596 54.27720 15.70840 29.34577 14.32607 24.93143       21.26006 
1 1 1 -21 7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 7  2  o 86.15703 23.37072 713.3573       352.5603 0.000000       0.000000 713.3573       352.5603 ?        ?        86.15703 23.37072 0.000000       23.37072 
1 1 1 -21 7  3  o 165.5167 14.15828 2430.467       396.3278 1948.211       754.9178 2613.961       465.6623 137.4801 32.64269 170.7451 16.16295 -33.26497      36.42508 
1 1 1 -21 7  4  o 88.42656 6.645827 676.0796       99.61980 589.2600       130.3764 797.8804       154.4241 81.96018 9.490852 95.50497 9.598581 -13.54479      13.49848 
1 1 1 -21 7  5  o 179.3629 6.577772 2765.871       201.4713 2739.339       220.3059 2901.438       497.9892 178.3725 7.232633 179.8678 16.39306 -1.495346      17.91769 
1 1 1 -21 7  6  o 269.0597 8.146789 6246.820       374.3148 6077.076       406.8335 7183.092       955.4781 265.0767 8.987590 280.5579 20.07594 -15.48123      21.99591 
1 1 1 -21 7  7  o 160.3099 6.953084 2211.352       190.3443 2200.460       199.3614 2323.649       640.1460 159.8509 7.303381 156.0321 24.85913 3.818817       25.90976 
1 1 1 -21 7  8  o 244.6817 7.583865 5159.430       316.8793 5098.574       344.3780 5495.484       809.2599 243.0131 8.298581 245.6553 19.45027 -2.642181      21.14661 
1 1 1 -21 7  9  o 111.3642 6.551291 1069.971       124.0387 1115.358       141.5688 919.9968       257.3428 113.5630 7.339364 100.8332 15.43670 12.72975       17.09263 
1 1 1 -21 7  10 o 96.42878 6.767704 803.8329       110.7363 792.0560       124.2779 849.2108       243.9508 95.54626 7.681827 96.83157 15.25818 -1.285301      17.08282 
1 1 1 -21 7  11 o 32.69500 11.92822 77.04106       86.56827 -38.93235      100.7869 403.2914       169.0443 25.45761 11.36808 66.17551 15.26949 -40.71791      19.03656 
1 1 1 -21 7  12 o 32.55894 11.60072 80.38321       81.29819 9.445483       126.9205 129.7394       105.8679 31.77103 13.47499 39.48486 13.28021 -7.713837      18.91929 
1 1 1 -21 7  13 o 175.5239 5.814039 2646.698       174.2674 2912.660       233.7981 2314.205       261.4097 183.7721 7.450055 163.0610 9.428158 20.71117       12.01638 
1 1 1 -21 7  14 o 210.3927 5.893078 3804.187       211.7263 4053.010       297.4200 3548.535       301.4734 216.5589 8.042522 202.4197 8.721564 14.13922       11.86372 
1 1 1 -21 7  15 o 45.72337 13.06414 189.2244       107.0914 323.6406       173.6891 106.7851       136.0235 59.09189 16.55236 39.45818 14.84936 19.63372       22.23700 
1 1 1 -21 7  16 o 52.57398 16.87633 247.0697       171.7446 266.3344       386.8902 242.3419       191.6639 62.24711 24.60095 52.82520 17.86821 9.421909       30.40525 
1 1 1 -21 7  17 o 48.48002 21.61795 -71.10432      363.0789 -71.10432      363.0789 0.000000       0.000000 48.48002 21.61795 ?        ?        0.000000       21.61795 
1 1 1 -21 7  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 7  20 o 138.9842 10.61526 1702.388       250.0351 0.000000       0.000000 1702.388       250.0351 ?        ?        138.9842 10.61526 0.000000       10.61526 
1 1 1 -21 7  21 o 124.3499 12.72130 1387.259       266.3304 0.000000       0.000000 1387.259       266.3304 ?        ?        124.3499 12.72130 0.000000       12.72130 
1 1 1 -21 7  22 o 137.1313 11.59004 1674.992       268.8666 0.000000       0.000000 1674.992       268.8666 ?        ?        137.1313 11.59004 0.000000       11.59004 
1 1 1 -21 7  23 o 52.84053 19.32927 237.6656       227.5369 0.000000       0.000000 237.6656       227.5369 ?        ?        52.84053 19.32927 0.000000       19.32927 
1 1 1 -21 7  24 o 109.0914 16.54490 1135.703       298.5469 0.000000       0.000000 1135.703       298.5469 ?        ?        109.0914 16.54490 0.000000       16.54490 
1 1 1 -21 7  25 o 80.21127 19.76051 665.5741       268.9006 0.000000       0.000000 665.5741       268.9006 ?        ?        80.21127 19.76051 0.000000       19.76051 
1 1 1 -21 7  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 7  27 o 22.44505 11.03064 -268.5272      146.8549 -444.8546      269.8160 -194.3046      175.0555 30.25542 14.88530 27.44201 13.13593 2.813406       19.85258 
1 1 1 -21 7  28 o 88.06565 9.703245 712.3686       143.5017 561.7356       245.3598 790.6833       176.9152 70.65697 19.63133 91.52446 11.57845 -20.86749      22.79144 
1 1 1 -21 7  29 o 43.60018 14.57852 190.8328       127.5721 126.8071       232.2681 218.4912       152.6600 42.82177 18.19823 46.11743 15.93804 -3.295662      24.19084 
1 1 1 -21 7  30 o 89.32142 9.131957 739.8059       137.3317 729.2258       231.5511 745.5471       170.5703 81.08659 17.25237 87.55197 11.70147 -6.465385      20.84632 
1 1 1 -21 7  31 o 29.46334 12.68493 31.51552       115.5463 311.6848       209.3625 -91.19836      138.5592 50.21795 18.51525 25.85849 12.17398 24.35947       22.15898 
1 1 1 -21 7  32 o 56.33018 11.70200 327.1083       108.8868 227.9938       162.9596 407.0522       146.3538 43.89119 16.30491 60.38052 14.39682 -16.48933      21.75129 
1 1 1 -21 7  33 o 56.83591 13.59419 360.1581       130.1646 199.3339       171.9239 576.1558       199.2440 41.05362 16.34401 67.55386 17.22015 -26.50023      23.74153 
1 1 1 -21 7  34 o 37.33383 13.95286 160.6787       119.6898 152.0701       139.7052 184.4318       232.0635 36.68672 14.69041 39.16943 17.38530 -2.482712      22.76086 
1 1 1 -21 8  1  o 164.7025 5.450084 2327.669       153.2870 2009.199       196.4044 2823.966       245.1816 152.6784 7.533064 180.9140 7.936222 -28.23552      10.94215 
1 1 1 -21 8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 8  5  o 142.5327 25.89628 1973.145       607.0927 0.000000       0.000000 1973.145       607.0927 ?        ?        142.5327 25.89628 0.000000       25.89628 
1 1 1 -21 8  6  o 103.6433 20.04555 1007.469       341.9507 1000.464       573.5984 1011.332       425.9088 99.18343 30.71201 101.7772 24.74541 -2.593796      39.44062 
1 1 1 -21 8  7  o 110.0680 11.24606 1067.251       208.4107 1413.771       610.5155 1021.544       221.7301 117.5587 30.23927 107.3334 12.32056 10.22530       32.65287 
1 1 1 -21 8  8  o 39.87647 11.49910 142.0944       82.61600 111.5956       85.24928 613.0215       334.9859 36.34621 11.90738 79.89893 23.18828 -43.55272      26.06688 
1 1 1 -21 8  9  o 269.1379 8.088618 6256.633       371.7502 6128.892       404.6581 6947.578       941.1178 266.0516 8.906774 274.8915 20.18970 -8.839844      22.06705 
1 1 1 -21 8  10 o 91.27076 6.559230 720.4133       101.5502 727.2613       113.4905 692.9100       227.4422 91.56416 7.319436 86.92315 15.90891 4.641014       17.51193 
1 1 1 -21 8  11 o 220.0009 5.704519 4157.467       214.3114 4596.174       284.8282 3584.999       325.3652 230.9006 7.223639 203.2616 9.373761 27.63901       11.83420 
1 1 1 -21 8  12 o 168.0620 13.62628 2511.026       387.6983 2435.356       733.5922 2540.351       456.6864 155.7235 28.64206 167.7341 16.14328 -12.01059      32.87815 
1 1 1 -21 8  13 o 169.2811 12.98760 2540.542       372.5765 3227.147       722.6436 2291.950       434.8238 183.6904 23.58208 159.1003 16.23177 24.59007       28.62840 
1 1 1 -21 8  14 o 25.21691 11.38636 -51.39022      104.2738 -251.4872      448.3941 -39.95048      107.2131 49.31703 22.77095 26.26198 11.72626 23.05505       25.61291 
1 1 1 -21 8  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 8  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 8  18 o 117.9228 9.299958 1217.665       185.7555 1065.302       242.2185 1435.226       289.4397 108.8226 13.31180 126.3752 13.62763 -17.55255      19.05036 
1 1 1 -21 8  19 o 232.7249 6.833645 4676.952       271.5796 4494.972       390.8732 4846.793       377.6130 226.6503 10.09899 235.7453 9.379983 -9.095016      13.78309 
1 1 1 -21 8  20 o 34.76266 15.04180 -4.164008      164.1258 390.9889       236.3637 -372.0918      228.0760 64.02434 19.69674 29.27966 14.25093 34.74468       24.31153 
1 1 1 -21 8  21 o 80.72195 13.73275 599.2837       182.5209 566.4974       293.1518 620.0391       233.2453 75.39113 21.63795 80.53664 17.46283 -5.145515      27.80560 
1 1 1 -21 8  22 o 74.36391 21.58371 560.7072       290.2187 0.000000       0.000000 560.7072       290.2187 ?        ?        74.36391 21.58371 0.000000       21.58371 
1 1 1 -21 8  23 o 76.48447 21.18477 604.4758       286.1923 0.000000       0.000000 604.4758       286.1923 ?        ?        76.48447 21.18477 0.000000       21.18477 
1 1 1 -21 8  24 o 79.34523 17.13593 625.1422       225.3916 0.000000       0.000000 625.1422       225.3916 ?        ?        79.34523 17.13593 0.000000       17.13593 
1 1 1 -21 8  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 8  26 o 87.75104 12.07584 723.3992       176.1612 427.2970       329.7256 841.6811       208.3967 61.77463 23.14449 93.81863 13.38735 -32.04401      26.73740 
1 1 1 -21 8  27 o 51.94493 14.78494 273.6511       137.4326 185.5927       256.4091 309.1461       162.7916 47.53042 19.57694 54.50105 16.25910 -6.970631      25.44828 
1 1 1 -21 8  28 o 126.8080 7.520175 1438.352       162.1189 1321.277       265.5052 1507.951       204.7124 115.6935 13.70528 128.2257 9.414872 -12.53219      16.62752 
1 1 1 -21 8  29 o 23.37686 11.20893 -143.2768      128.6670 236.7761       192.8548 -448.1468      172.7292 47.15687 17.69411 21.25419 10.68256 25.90268       20.66879 
1 1 1 -21 8  30 o 65.39882 13.78211 448.8072       149.0629 502.9709       253.5131 420.1859       184.2857 61.38822 20.55101 59.92286 17.14323 1.465363       26.76256 
1 1 1 -21 8  31 o 35.67948 13.85624 121.0001       120.9415 -59.66943      237.9839 183.9056       140.4266 33.73969 15.90577 40.97361 15.15261 -7.233921      21.96805 
1 1 1 -21 8  32 o 65.53160 10.60141 430.8358       114.5845 330.7192       176.6822 503.5118       150.5343 50.51329 17.15531 68.02148 13.43610 -17.50819      21.79067 
1 1 1 -21 8  33 o 28.53712 11.88751 57.14154       96.05206 91.17131       139.6717 26.60734       132.3038 33.13605 14.09771 29.20587 13.03458 3.930174       19.20015 
1 1 1 -21 8  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  1  o 170.5019 5.654055 2496.625       164.6233 2519.184       214.8143 2464.524       256.2544 170.9271 7.359531 168.4453 8.940633 2.481812       11.58005 
1 1 1 -21 9  2  o 85.79608 6.594766 637.0905       95.88068 633.7296       112.8890 645.7919       181.6429 85.33229 7.834540 84.81004 12.95291 0.5222473      15.13797 
1 1 1 -21 9  3  o 129.9955 5.965307 1451.998       132.4229 1410.332       156.6872 1556.154       247.7315 127.7340 7.212815 133.1557 10.99310 -5.421692      13.14812 
1 1 1 -21 9  4  o 39.40966 10.63049 139.7902       73.18646 62.00948       81.05285 483.1604       170.2996 30.59711 11.47281 72.80457 14.20790 -42.20746      18.26170 
1 1 1 -21 9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  15 o 32.01138 12.75574 50.02606       104.8076 87.08398       111.7673 -220.0403      301.7238 35.78991 13.46206 39.68246 18.44601 -3.892555      22.83599 
1 1 1 -21 9  16 o 51.32417 12.86965 242.0906       112.5892 223.0124       121.9681 352.0249       292.7818 49.32813 13.88944 62.85196 22.05217 -13.52383      26.06175 
1 1 1 -21 9  17 o 106.6727 7.172602 987.7342       129.8974 931.8134       157.6338 1106.049       229.2887 103.0958 9.045189 111.2382 12.27498 -8.142410      15.24765 
1 1 1 -21 9  18 o 70.75463 11.52479 451.6896       134.4547 331.6485       160.8767 729.7935       244.8678 59.46303 15.63555 88.17310 16.87750 -28.71006      23.00697 
1 1 1 -21 9  19 o 226.9760 6.570640 4449.415       254.6769 4309.708       340.8315 4626.032       383.2182 222.2898 8.978800 229.8628 9.762825 -7.572968      13.26392 
1 1 1 -21 9  20 o 83.89345 11.03990 632.2711       154.3184 267.7986       205.5787 1102.750       233.5694 54.29772 18.50477 110.4293 12.61219 -56.13154      22.39406 
1 1 1 -21 9  21 o 76.79378 12.64913 542.4653       160.1013 301.7979       209.9628 876.7866       247.4661 56.46549 18.69625 96.51930 15.54176 -40.05381      24.31247 
1 1 1 -21 9  22 o 41.56454 16.13871 121.8006       164.0437 -279.8551      242.3091 461.6602       222.8910 32.16786 15.41299 67.75164 18.66772 -35.58378      24.20835 
1 1 1 -21 9  23 o 54.01759 16.58555 286.9879       167.6854 -125.7814      260.7578 578.0488       218.9654 37.51295 17.33617 75.98332 17.26744 -38.47038      24.46849 
1 1 1 -21 9  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  25 o 39.60203 16.42212 87.98603       182.1251 0.000000       0.000000 87.98603       182.1251 ?        ?        39.60203 16.42212 0.000000       16.42212 
1 1 1 -21 9  26 o 101.4176 11.09478 960.2465       189.0130 0.000000       0.000000 960.2465       189.0130 ?        ?        101.4176 11.09478 0.000000       11.09478 
1 1 1 -21 9  27 o 76.07526 12.64946 565.0107       158.5597 48.02764       259.9049 871.4891       200.1134 41.12526 18.31786 94.72096 12.69072 -53.59570      22.28449 
1 1 1 -21 9  28 o 34.63020 14.20318 78.73458       134.2535 478.7589       202.0300 -237.6048      179.6591 65.04425 17.71138 26.04831 12.67129 38.99594       21.77738 
1 1 1 -21 9  29 o 46.35536 13.91876 228.4332       119.0153 221.0279       200.5197 232.4608       147.8802 45.15497 17.75362 45.99377 15.69449 -0.8388023     23.69616 
1 1 1 -21 9  30 o 84.33714 9.434031 679.5836       133.5408 721.8995       230.1888 658.1172       163.9503 77.22551 17.81766 80.09179 12.38711 -2.866280      21.70045 
1 1 1 -21 9  31 o 30.90070 13.02918 62.31584       117.5497 90.74711       166.4608 34.03463       166.0209 35.13865 15.17650 32.41444 14.52413 2.724209       21.00658 
1 1 1 -21 9  32 o 79.26788 9.651209 619.5907       127.9449 565.5210       179.0098 676.0588       182.9370 68.64100 15.62285 76.97049 14.44860 -8.329491      21.27993 
1 1 1 -21 9  33 o 18.74355 9.095791 -113.5475      91.09064 -116.1283      132.6744 -111.2462      125.2861 23.22371 11.19847 22.67327 10.92017 0.5504436      15.64148 
1 1 1 -21 10 1  f 102.8848 6.206310 914.7206       108.5298 934.3230       127.5999 863.4464       206.3700 103.7629 7.246730 98.13725 12.60575 5.625648       14.54029 
1 1 1 -21 10 2  o 93.42430 6.333639 754.7993       100.4481 770.9825       120.4535 717.8505       182.0068 94.17649 7.553445 89.56867 12.21828 4.607819       14.36457 
1 1 1 -21 10 3  o 348.2730 7.442793 10469.56       442.6472 10143.04       611.4391 10829.15       641.6483 340.9795 10.50081 352.2029 10.66847 -11.22333      14.96941 
1 1 1 -21 10 4  o 129.4294 5.923901 1440.047       130.9311 1354.498       154.3423 1659.640       247.2778 125.1119 7.255264 137.5465 10.60967 -12.43455      12.85317 
1 1 1 -21 10 5  o 149.6683 5.361925 1923.278       137.0416 1736.120       178.3772 2192.865       214.0849 141.6587 7.399528 159.3060 7.869589 -17.64731      10.80201 
1 1 1 -21 10 6  o 187.8148 5.714729 3031.014       183.2852 3031.088       246.4688 3030.923       274.1432 187.3333 7.704511 187.0708 8.581624 0.2624359      11.53273 
1 1 1 -21 10 7  o 199.6416 5.660976 3424.425       192.9942 3344.141       262.7845 3518.434       284.3606 196.7310 7.822127 201.6562 8.257638 -4.925156      11.37428 
1 1 1 -21 10 8  o 227.5930 6.645720 4461.165       258.2871 4754.038       329.1049 3991.470       416.7752 234.4098 8.221609 213.1738 11.49141 21.23593       14.12966 
1 1 1 -21 10 9  o 66.43531 9.004980 389.5443       99.52788 382.9536       107.5716 428.7350       262.3160 65.64374 9.904364 67.53266 20.74558 -1.888924      22.98859 
1 1 1 -21 10 10 o 69.16578 8.705256 420.9392       100.5416 354.1256       109.3598 785.8309       255.5684 62.89716 10.55577 92.09250 16.87283 -29.19534      19.90268 
1 1 1 -21 10 11 o 43.72300 12.16210 173.3035       94.11452 204.8721       100.1214 -66.35493      275.8645 47.37143 12.27637 42.38913 18.87701 4.982300       22.51779 
1 1 1 -21 10 12 o 72.69655 9.958010 468.7581       120.3705 424.8501       134.0558 651.4700       273.4622 68.61659 11.87039 82.49753 19.68556 -13.88094      22.98755 
1 1 1 -21 10 13 o 24.06488 11.05504 -71.80695      103.8166 -44.26051      114.1769 -203.2633      249.4229 26.94221 12.06039 35.65125 16.63841 -8.709030      20.54968 
1 1 1 -21 10 14 o 86.80608 7.863239 657.5552       115.2959 587.3853       129.2745 930.3956       254.9131 81.60363 9.451857 100.7820 15.29193 -19.17835      17.97723 
1 1 1 -21 10 15 o 32.27271 12.26113 67.64674       93.27571 169.7188       102.8489 -405.3453      221.3978 43.37806 12.91958 28.00642 13.71867 15.37164       18.84456 
1 1 1 -21 10 16 o 188.8897 6.382247 3077.265       205.8656 2934.361       261.1370 3311.900       334.6125 183.8084 8.319573 194.2453 10.12268 -10.43692      13.10282 
1 1 1 -21 10 17 o 92.38463 8.467177 748.6676       132.0935 785.9718       155.6512 652.6436       249.7258 94.25713 9.814142 82.44705 18.22219 11.81007       20.69700 
1 1 1 -21 10 18 o 53.74962 12.86621 268.5154       116.5233 331.2253       135.9953 95.35086       225.9878 59.55651 13.66228 44.76930 18.40217 14.78721       22.91938 
1 1 1 -21 10 19 o 103.5141 7.774098 938.1693       136.4168 1004.523       166.6780 803.5409       237.4183 106.5956 9.248308 92.37096 15.60750 14.22469       18.14181 
1 1 1 -21 10 20 f 99.69499 8.417885 877.0049       141.9705 770.9018       171.9322 1104.391       251.6951 92.31248 11.13131 109.1913 13.80705 -16.87881      17.73529 
1 1 1 -21 10 21 o 70.89360 10.65944 458.6769       125.0517 534.1862       149.1611 280.0667       229.4080 76.06002 11.87191 54.41595 19.47664 21.64407       22.80968 
1 1 1 -21 10 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 10 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 10 24 o 31.37147 13.31261 28.22250       123.9853 145.7100       174.8362 -90.63372      175.8517 42.54549 16.62166 30.84813 14.24927 11.69736       21.89341 
1 1 1 -21 10 25 o 69.54295 11.76516 461.7083       134.7351 589.1475       222.5367 387.9582       169.2902 74.07088 17.81207 60.98601 16.04072 13.08487       23.97028 
1 1 1 -21 10 26 o 30.99065 13.10807 36.55373       119.5779 69.78310       195.6047 16.72498       151.1005 38.42781 16.52411 32.63563 14.27267 5.792187       21.83472 
1 1 1 -21 10 27 o 48.06886 14.37018 241.4841       127.0656 48.03251       174.6256 459.1668       185.2396 35.56105 15.45127 64.55315 16.68338 -28.99210      22.73932 
1 1 1 -21 10 28 o 22.08315 10.45735 -93.24229      105.0069 -126.4163      161.2776 -68.83022      138.3494 27.00839 12.83885 26.83541 12.47968 0.1729851      17.90470 
1 1 1 -21 10 29 o 83.34420 9.315090 661.7043       130.3083 897.8514       213.8164 522.1698       164.3579 91.59011 14.12487 69.25384 14.36862 22.33627       20.14868 
1 1 1 -21 10 30 o 69.28032 10.44267 476.6776       119.7078 456.7564       159.1593 502.6254       181.6454 63.19943 14.97662 64.58257 16.43086 -1.383141      22.23223 
1 1 1 -21 10 31 o 24.93493 11.35828 -18.58832      106.5681 162.6026       179.4871 -117.2390      132.4387 38.62101 16.18225 23.58715 11.32624 15.03386       19.75219 
1 1 1 -21 10 32 o 39.50605 14.08026 187.3884       119.7744 174.2838       171.8240 199.7749       167.0500 38.07411 15.88310 39.58727 15.98887 -1.513157      22.53701 
1 1 1 -21 11 1  o 125.8147 6.328996 1370.425       135.5437 1403.652       161.2512 1290.415       250.2209 126.9940 7.468511 119.7588 12.41568 7.235214       14.48889 
1 1 1 -21 11 2  o 137.1325 5.492733 1618.589       128.6266 1376.757       156.3045 2125.932       226.3943 125.8864 7.302315 156.0665 8.527095 -30.18006      11.22654 
1 1 1 -21 11 3  o 107.8609 6.122176 1005.823       112.2996 993.6592       139.1728 1028.523       190.1201 106.8260 7.680395 107.8202 10.45734 -0.9941483     12.97476 
1 1 1 -21 11 4  o 90.70647 6.650793 713.6260       102.2999 734.2249       116.4070 643.7550       214.3903 91.82394 7.488935 83.26855 15.65186 8.555382       17.35122 
1 1 1 -21 11 5  o 74.47875 7.492227 484.4391       93.99645 469.1126       111.4104 522.2968       175.0979 72.87912 9.153985 75.40926 14.11618 -2.530136      16.82445 
1 1 1 -21 11 6  o 59.44872 10.17448 316.8941       99.57603 273.0991       118.1913 424.0144       184.8456 54.49232 12.90110 67.21374 16.27753 -12.72142      20.77008 
1 1 1 -21 11 7  o 71.35118 8.156586 446.6225       97.59705 444.2721       109.4468 455.7476       215.6518 70.89054 9.262370 69.29810 18.04549 1.592438       20.28377 
1 1 1 -21 11 8  o 163.3480 5.811054 2295.440       162.0954 2400.351       210.8698 2143.908       253.4282 166.6488 7.409864 156.6084 9.521472 10.04042       12.06501 
1 1 1 -21 11 9  o 62.66167 9.600631 349.5613       99.45789 360.8255       104.4645 240.4242       325.1660 63.59455 9.945144 58.10413 22.67683 5.490414       24.76176 
1 1 1 -21 11 10 f 100.8382 7.272109 883.1053       124.3836 877.7303       133.6420 917.9157       340.1003 100.3877 7.858526 97.32665 21.07366 3.061005       22.49124 
1 1 1 -21 11 11 f 133.0417 13.10661 1585.581       293.9022 0.000000       0.000000 1585.581       293.9022 ?        ?        133.0417 13.10661 0.000000       13.10661 
1 1 1 -21 11 12 o 51.57059 10.73297 241.5922       91.44482 215.2531       98.65555 402.2699       243.6685 48.43552 11.99141 64.99832 19.99919 -16.56280      23.31869 
1 1 1 -21 11 13 o 105.7309 7.263127 971.8170       130.3423 956.0867       151.3206 1017.045       256.5863 104.5099 8.553828 105.4348 14.64669 -0.9249344     16.96153 
1 1 1 -21 11 14 o 63.84955 10.45478 366.8727       110.0457 403.3995       123.0846 221.3547       245.6723 66.79381 11.18668 53.00154 19.95427 13.79226       22.87608 
1 1 1 -21 11 15 o 46.72140 11.54432 200.9486       91.57143 264.6476       99.38271 -157.1492      235.6380 53.78268 11.18550 35.43705 16.41306 18.34563       19.86212 
1 1 1 -21 11 16 o 27.23523 11.76213 -4.039474      99.97161 8.815243       107.4442 -86.92995      272.8374 29.04412 12.36097 40.64299 18.37894 -11.59888      22.14902 
1 1 1 -21 11 17 o 58.45750 10.08862 309.7255       97.07086 268.2826       104.1509 583.8310       267.8531 53.85141 11.66321 76.03910 20.26205 -22.18769      23.37907 
1 1 1 -21 11 18 o 68.44591 9.935937 422.7742       112.7402 511.8800       129.6042 145.6523       228.5607 75.26997 10.35751 46.86372 18.78141 28.40625       21.44806 
1 1 1 -21 11 19 o 139.9378 6.442943 1702.074       153.9647 1471.625       186.6572 2192.639       272.3363 129.0172 8.520146 156.4406 10.25091 -27.42332      13.32944 
1 1 1 -21 11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 11 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 11 22 o 72.61892 9.414602 479.8223       114.0015 498.3095       136.0532 436.2494       208.8723 73.10321 11.26006 64.33988 18.19716 8.763329       21.39920 
1 1 1 -21 11 23 o 78.57799 8.221351 555.5675       108.6846 621.3652       137.7829 447.1952       176.8273 82.16640 10.02777 66.03703 15.87622 16.12938       18.77793 
1 1 1 -21 11 24 o 25.51892 11.54459 -37.12460      107.7817 -111.0794      131.9742 110.9930       186.7709 25.18350 11.86380 40.38838 16.67952 -15.20488      20.46841 
1 1 1 -21 11 25 o 27.50531 12.36515 -26.18951      121.4042 -138.0967      212.2829 28.20110       147.9953 31.73401 14.97918 32.89748 14.25909 -1.163467      20.68085 
1 1 1 -21 11 26 f 82.29754 9.544415 633.3818       131.6435 522.7573       208.1677 707.1064       169.9395 67.61654 17.78883 84.93479 12.05505 -17.31825      21.48876 
1 1 1 -21 11 27 o 61.14998 14.19915 399.1988       145.4278 641.6940       234.4135 247.4672       185.4253 72.64439 18.76420 46.57505 17.37461 26.06935       25.57288 
1 1 1 -21 11 28 o 26.19487 11.48987 9.208791       98.56718 -77.15248      138.3795 98.15251       140.4333 26.10559 12.25087 34.95471 14.45158 -8.849123      18.94550 
1 1 1 -21 11 29 o 29.37200 12.54715 44.59135       111.4549 -64.35335      148.2509 186.2108       169.0268 27.20591 12.73942 40.79594 16.21696 -13.59003      20.62238 
1 1 1 -21 11 30 f 25.71849 11.29572 14.81419       95.53999 76.59711       136.1607 -45.10483      134.0910 32.40305 13.85577 26.31870 12.25495 6.084349       18.49773 
1 1 1 -21 11 31 o 63.63095 11.03522 424.1036       115.5622 570.5829       153.7442 233.8632       175.2113 71.43863 13.08491 41.67427 16.52837 29.76436       21.08084 
1 1 1 -21 12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 12 3  o 64.27615 8.253362 366.2171       88.49772 421.8201       105.4146 233.4667       162.8807 68.76591 9.208093 50.36258 16.45714 18.40333       18.85806 
1 1 1 -21 12 4  o 88.58153 6.487209 682.4976       97.44775 780.4254       123.0315 517.6370       159.6327 94.41553 7.697821 74.97247 12.93602 19.44305       15.05315 
1 1 1 -21 12 5  o 67.86978 8.760533 408.7568       99.16328 332.4846       120.8976 565.5685       173.3501 60.06086 12.20376 78.30022 13.44917 -18.23937      18.16072 
1 1 1 -21 12 6  o 129.7205 5.839237 1451.505       129.3501 1450.414       162.9545 1453.362       212.6752 129.0662 7.424834 128.2942 9.781214 0.7719727      12.28008 
1 1 1 -21 12 7  o 46.54604 10.88119 198.7155       84.93900 184.6021       93.75716 263.3333       200.6158 44.77262 12.01314 53.88678 18.28046 -9.114151      21.87443 
1 1 1 -21 12 8  o 64.96746 8.436173 373.6460       91.38396 399.8401       104.9056 291.2290       186.0825 66.95642 9.436695 55.73668 17.53129 11.21974       19.90973 
1 1 1 -21 12 9  o 155.7771 10.90202 2154.126       288.1814 0.000000       0.000000 2154.126       288.1814 ?        ?        155.7771 10.90202 0.000000       10.90202 
1 1 1 -21 12 10 o 112.7909 6.865146 1105.540       131.5995 1176.035       156.7193 936.9700       242.3441 116.0011 7.959642 100.7838 14.49855 15.21735       16.53977 
1 1 1 -21 12 11 o 63.07877 10.34219 359.1620       107.5413 313.6298       116.2117 630.5920       283.7393 58.33447 12.06425 79.35571 20.71592 -21.02125      23.97281 
1 1 1 -21 12 12 o 72.28654 7.959410 460.4029       96.62361 390.9360       105.2075 834.7458       244.2266 66.06304 9.607320 94.20857 15.73608 -28.14553      18.43705 
1 1 1 -21 12 13 o 32.70988 12.20802 76.54192       91.56517 133.7313       100.0070 -219.9467      227.7071 39.07529 12.90156 32.64158 15.44007 6.433712       20.12078 
1 1 1 -21 12 14 o 85.98712 7.679617 649.5281       111.5785 578.3182       127.0454 889.7347       233.3357 80.52477 9.416905 97.66514 14.42483 -17.14037      17.22655 
1 1 1 -21 12 15 o 105.0432 6.811143 962.9336       121.5184 1015.738       134.6890 731.8553       281.7571 107.7010 7.367607 84.96383 19.78810 22.73717       21.11517 
1 1 1 -21 12 16 o 83.60094 7.817426 616.9365       110.3078 648.2413       126.8738 519.9915       223.2692 85.33588 8.834335 71.91054 18.17353 13.42534       20.20700 
1 1 1 -21 12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 12 19 o 17.80716 8.696215 -153.2321      86.97801 -131.1351      94.93273 -268.7557      217.0620 19.81046 9.532365 29.72144 14.32967 -9.910976      17.21062 
1 1 1 -21 12 20 f 28.14237 11.62237 31.44989       90.68642 90.25352       97.81364 -328.5116      242.0056 33.93244 12.62687 30.35980 14.75422 3.572641       19.41971 
1 1 1 -21 12 21 o 62.25009 9.445280 356.0585       97.25275 195.2377       112.0262 848.0275       195.9374 44.74118 13.51965 94.54053 12.43857 -49.79936      18.37114 
1 1 1 -21 12 22 o 64.54005 8.867134 380.9666       95.14491 330.8470       115.4827 486.8824       167.8777 58.54622 11.95520 69.57155 14.59623 -11.02533      18.86734 
1 1 1 -21 12 23 o 118.3731 6.726596 1241.915       135.4110 1338.587       185.6108 1131.921       197.9880 121.1588 9.036110 110.0012 10.67434 11.15755       13.98545 
1 1 1 -21 12 24 o 116.8546 6.760070 1215.612       134.3198 1437.727       185.5235 970.9200       194.7240 125.4562 8.713796 100.5515 11.55009 24.90471       14.46841 
1 1 1 -21 12 25 o 65.88669 10.13071 414.8694       110.3325 368.3937       152.5273 465.8786       159.7936 58.25156 15.17988 66.40733 14.49764 -8.155773      20.99072 
1 1 1 -21 12 26 o 74.56918 9.641100 530.8716       119.8940 758.4418       179.4321 347.3149       161.1490 86.39150 12.52810 54.81096 16.13373 31.58054       20.42671 
1 1 1 -21 12 27 o 26.24407 11.71323 -3.412386      106.8521 -258.8678      165.0007 181.0927       140.2273 23.42651 11.54770 40.72433 15.12567 -17.29782      19.02985 
1 1 1 -21 12 28 o 41.65419 12.61940 187.2691       97.51152 300.6750       117.4758 -63.96668      174.8523 52.51872 13.13315 29.27502 13.74872 23.24370       19.01334 
1 1 1 -21 12 29 o 30.99614 12.10171 87.96440       92.63166 82.59445       124.7528 94.56327       138.2930 32.12459 13.47724 33.48247 14.12570 -1.357880      19.52361 
1 1 1 -21 12 30 o 32.68663 13.85791 93.34301       134.1529 93.34301       134.1529 0.000000       0.000000 32.68663 13.85791 ?        ?        0.000000       13.85791 
1 1 1 -21 13 1  o 118.7031 5.418386 1218.697       109.8333 1275.265       150.0942 1153.488       161.1498 120.5847 7.323707 114.2215 8.319077 6.363205       11.08349 
1 1 1 -21 13 2  o 105.4647 6.153250 968.0109       110.3377 1043.724       148.2513 873.9918       165.2039 108.8149 8.035096 98.69991 9.936824 10.11497       12.77902 
1 1 1 -21 13 3  o 41.76867 11.97884 161.8992       89.87513 152.4097       106.7134 185.0555       166.6980 41.05504 13.31594 46.17387 16.59450 -5.118832      21.27656 
1 1 1 -21 13 4  o 94.87548 20.23788 915.7133       317.8841 0.000000       0.000000 915.7133       317.8841 ?        ?        94.87548 20.23788 0.000000       20.23788 
1 1 1 -21 13 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 13 16 o 119.9923 6.823833 1262.523       139.2469 1337.753       157.4915 993.0876       298.0501 123.1818 7.523073 98.74216 18.35155 24.43967       19.83371 
1 1 1 -21 13 17 o 56.31439 9.841524 292.1621       91.19672 253.5693       101.0107 462.3184       212.0990 51.66759 11.71803 66.50459 18.16333 -14.83699      21.61524 
1 1 1 -21 13 18 o 88.65965 7.314562 696.8657       109.7543 653.1454       121.5757 889.4518       255.1633 85.28915 8.458968 93.90574 16.51489 -8.616592      18.55521 
1 1 1 -21 13 19 o 77.22234 7.581285 532.5609       98.68512 529.8707       113.2570 541.0440       201.1175 76.43523 8.840116 72.29655 16.63593 4.138687       18.83883 
1 1 1 -21 13 20 o 26.28281 10.71293 32.89651       75.78687 -3.526872      84.67415 179.5965       169.9322 24.56210 10.71459 44.08414 16.59596 -19.52205      19.75419 
1 1 1 -21 13 21 o 53.70723 11.42928 278.8900       101.6035 380.3876       130.9093 125.1201       161.1307 62.14563 12.76276 39.72659 15.82047 22.41904       20.32671 
1 1 1 -21 13 22 o 62.01691 9.944818 362.4014       101.7604 315.5574       130.8936 433.9685       161.7887 55.46033 13.85966 64.44363 14.98520 -8.983292      20.41191 
1 1 1 -21 13 23 o 97.47475 7.472086 858.8735       123.4289 810.1692       153.5891 947.6828       207.3986 92.81462 9.840507 97.56963 12.75285 -4.755005      16.10810 
1 1 1 -21 13 24 o 123.8973 6.558292 1375.203       138.2628 1704.857       191.9866 1020.013       199.2838 136.1028 8.300084 101.6308 11.69603 34.47204       14.34184 
1 1 1 -21 13 25 o 45.78778 12.85369 222.5529       104.6200 415.8525       145.7480 17.08466       150.2656 61.93665 14.09686 31.21755 13.91480 30.71910       19.80765 
1 1 1 -21 13 26 o 24.19692 11.14655 -41.17933      106.5419 122.0773       136.5232 -295.4747      170.3886 36.15861 14.50686 23.10451 11.45187 13.05410       18.48228 
1 1 1 -21 13 27 o 26.89218 11.53607 30.79119       94.92902 -64.30504      130.6766 137.0498       138.1333 25.44682 11.92998 36.69469 14.63702 -11.24787      18.88297 
1 1 1 -21 13 28 o 33.96463 13.40946 116.3856       114.8391 -19.41156      198.9815 184.2081       140.6223 31.36754 14.71071 39.35841 15.03046 -7.990870      21.03140 
1 1 1 -21 14 1  o 108.4945 6.188608 1028.880       114.1824 1165.692       151.2306 847.4809       174.1383 114.7599 7.762636 96.17316 10.78929 18.58675       13.29163 
1 1 1 -21 14 2  o 25.10081 10.74152 5.401039       81.94500 -14.52520      97.19418 54.38267       152.3857 25.80984 11.36310 35.82620 14.95259 -10.01636      18.78031 
1 1 1 -21 14 3  o 109.9378 5.995497 1053.873       112.1324 1134.198       152.0708 958.1585       166.0017 113.2045 7.916307 103.1874 9.528326 10.01707       12.38777 
1 1 1 -21 14 4  o 57.35173 10.61060 304.4730       100.0900 394.9950       132.4231 183.8469       152.8647 64.68629 12.43984 45.04514 15.92250 19.64116       20.20583 
1 1 1 -21 14 5  o 63.91460 17.73206 416.9581       200.3346 0.000000       0.000000 416.9581       200.3346 ?        ?        63.91460 17.73206 0.000000       17.73206 
1 1 1 -21 14 6  o 164.6230 5.338311 2346.083       150.0708 2622.707       216.1602 2088.692       208.5107 173.0201 7.316061 153.8583 7.963341 19.16180       10.81386 
1 1 1 -21 14 7  o 103.2961 5.881077 929.1649       103.3099 1050.365       134.0421 751.8264       162.1401 109.3189 7.220997 90.85435 10.65283 18.46455       12.86956 
1 1 1 -21 14 8  o 124.2165 6.307671 1346.152       133.3591 1316.105       152.8815 1441.778       272.7376 122.3538 7.351144 124.4037 13.03180 -2.049881      14.96219 
1 1 1 -21 14 9  o 94.54219 6.663438 783.3892       106.8902 792.9655       133.1585 766.0375       179.2425 94.44029 8.342538 91.05909 11.80479 3.381203       14.45514 
1 1 1 -21 14 10 o 159.9063 5.775206 2219.630       157.7012 2536.225       215.5063 1854.660       231.3859 170.0246 7.422433 143.9255 9.467340 26.09911       12.03009 
1 1 1 -21 14 11 o 82.67966 7.560256 605.2914       105.5610 675.7550       112.2740 68.34943       309.9276 87.37742 7.600208 46.68238 20.42773 40.69504       21.79577 
1 1 1 -21 14 12 o 80.07169 7.250989 566.8654       98.07114 532.5776       106.7511 752.3591       248.2945 77.21741 8.222190 86.13779 17.47739 -8.920380      19.31485 
1 1 1 -21 14 13 o 39.93305 10.94870 149.9574       76.89275 143.2912       80.26337 224.3633       268.1522 39.08347 11.35268 51.08456 20.38837 -12.00109      23.33601 
1 1 1 -21 14 14 o 120.7844 6.288657 1277.373       129.2608 1209.886       152.7684 1447.452       242.5213 116.8202 7.701165 125.1072 11.47988 -8.286987      13.82373 
1 1 1 -21 14 15 o 116.8365 6.290670 1196.753       125.0473 1148.227       148.0272 1317.673       233.6691 113.7211 7.667274 118.9905 11.64912 -5.269386      13.94594 
1 1 1 -21 14 16 o 44.30819 10.21468 185.2092       75.70507 193.4456       79.77254 110.5647       240.1498 45.19131 10.53192 43.67882 18.53102 1.512489       21.31478 
1 1 1 -21 14 17 o 42.47618 10.02292 170.5703       71.52830 147.3895       77.16748 312.0095       190.6141 39.30216 11.04137 54.18119 17.80794 -14.87903      20.95315 
1 1 1 -21 14 18 o 41.01475 11.30813 162.2934       81.75780 160.9597       88.35950 170.2311       215.5660 40.76554 11.93171 44.91629 18.15527 -4.150742      21.72509 
1 1 1 -21 14 19 o 52.25686 10.23741 259.2963       88.08790 284.9165       105.1711 199.0813       161.2345 54.05909 11.72976 44.79154 16.28842 9.267555       20.07237 
1 1 1 -21 14 20 o 24.49513 10.85569 -11.80695      90.14932 -58.11663      113.0450 69.08981       149.4105 24.87339 11.46672 35.08811 14.73630 -10.21472      18.67201 
1 1 1 -21 14 21 o 87.62991 7.530717 695.8401       111.5965 891.5355       144.7079 408.6640       175.2977 98.33514 8.707546 60.41536 16.51764 37.91978       18.67228 
1 1 1 -21 14 22 o 63.62933 10.90195 396.7243       114.1960 478.0900       143.3638 255.4830       188.8859 68.45756 12.73216 47.11377 17.54379 21.34379       21.67700 
1 1 1 -21 14 23 o 34.14433 12.19148 112.1429       89.83465 153.8083       113.6961 42.90611       146.5636 38.64351 13.72414 32.34076 14.10251 6.302750       19.67823 
1 1 1 -21 14 24 f 48.86606 11.41749 244.5180       93.55820 366.0163       119.8330 54.83927       149.7272 59.44676 12.21300 32.88985 14.29903 26.55690       18.80478 
1 1 1 -21 14 25 o 31.22367 12.58210 78.84213       103.1911 155.8590       128.4445 -61.35630      173.2983 38.20146 14.41812 29.24929 13.72089 8.952168       19.90339 
1 1 1 -21 14 26 o 26.85626 11.58490 30.68338       96.75323 56.01383       118.4257 -20.16368      167.7867 30.13141 12.90414 29.80465 13.82041 0.3267574      18.90822 
1 1 1 -21 14 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 15 1  o 95.35633 6.042991 799.0196       97.89320 773.4942       137.3249 825.3927       139.5866 92.36504 8.813362 95.53581 8.649901 -3.170776      12.34893 
1 1 1 -21 15 2  o 19.50597 9.118262 -64.31017      75.39413 -63.47151      93.11987 -65.90614      128.4576 22.29507 10.32325 26.73888 12.28853 -4.443815      16.04922 
1 1 1 -21 15 3  o 71.27146 11.99348 482.9484       140.7861 0.000000       0.000000 482.9484       140.7861 ?        ?        71.27146 11.99348 0.000000       11.99348 
1 1 1 -21 15 4  o 45.80932 11.71503 201.4724       92.00512 163.2317       123.9172 248.4505       137.3463 41.80571 14.36449 49.86285 14.94786 -8.057133      20.73107 
1 1 1 -21 15 5  o 95.97232 6.667091 811.2749       108.5878 915.0981       137.4727 639.0313       177.0683 101.2835 8.013769 81.60686 13.15320 19.67668       15.40218 
1 1 1 -21 15 6  o 60.20998 9.948354 334.9755       98.71488 217.5334       127.4464 511.0973       156.0709 47.07766 14.46001 72.94761 13.00570 -25.86995      19.44840 
1 1 1 -21 15 7  f 100.1911 6.048943 878.9296       103.0076 855.0390       125.3642 928.5793       180.7254 98.14732 7.537416 100.4318 10.70258 -2.284477      13.09037 
1 1 1 -21 15 8  o 39.19579 10.65870 144.9277       73.22507 70.77356       80.40652 505.3088       177.2575 30.59191 11.43557 71.21847 15.04644 -40.62656      18.89888 
1 1 1 -21 15 9  o 47.56996 10.59945 213.5246       83.89988 265.1467       99.51717 86.66774       156.0043 52.81152 11.37117 37.69139 15.36746 15.12013       19.11707 
1 1 1 -21 15 10 o 33.18478 11.08922 98.17168       73.81218 118.5779       76.88834 -141.6540      263.5888 35.79791 11.27067 36.33752 17.00632 -0.5396118     20.40203 
1 1 1 -21 15 11 o 143.3440 5.815740 1792.358       142.3595 1893.954       185.2208 1645.714       222.5280 146.1983 7.443624 134.5111 9.754080 11.68715       12.26987 
1 1 1 -21 15 12 o 37.95425 10.83022 136.3410       73.64757 173.1095       78.89823 -112.6469      205.3140 42.62023 10.82098 32.55851 15.16171 10.06171       18.62716 
1 1 1 -21 15 13 o 90.02155 7.060616 719.3983       107.6699 766.9971       124.3239 576.5776       215.3533 92.50661 7.947255 73.79305 17.37693 18.71355       19.10803 
1 1 1 -21 15 14 f 25.27343 10.65526 17.01373       78.60262 -2.306659      83.53820 166.1760       232.1169 24.47844 10.66126 45.43670 18.66018 -20.95827      21.49104 
1 1 1 -21 15 15 o 102.6755 6.801868 935.2903       118.5851 956.3084       134.6186 862.4862       250.5459 103.2966 7.686657 90.58311 16.81624 12.71346       18.48974 
1 1 1 -21 15 16 o 81.30345 7.249300 592.4313       99.59257 642.6438       115.2616 444.4934       197.8420 84.21120 8.115644 63.28376 17.64433 20.92744       19.42128 
1 1 1 -21 15 17 o 33.35133 14.47519 33.23381       152.9238 0.000000       0.000000 33.23381       152.9238 ?        ?        33.35133 14.47519 0.000000       14.47519 
1 1 1 -21 15 18 o 41.08083 10.73796 165.3986       76.17139 190.5156       87.45367 86.45720       155.0410 43.76367 11.53794 36.19884 15.09302 7.564823       18.99798 
1 1 1 -21 15 19 o 33.69133 10.36864 109.5302       65.49256 106.8326       70.12722 127.9390       183.1927 33.38509 10.79108 39.52684 16.43709 -6.141750      19.66278 
1 1 1 -21 15 20 o 63.94498 8.104927 378.9469       86.51648 318.7586       97.44692 602.9946       188.0107 57.19884 10.35787 74.28200 15.33006 -17.08315      18.50125 
1 1 1 -21 15 21 f 29.04441 10.64868 73.54978       69.11372 38.23550       78.68069 192.8515       144.6160 26.34594 10.84719 42.11021 15.40895 -15.76426      18.84402 
1 1 1 -21 15 22 o 72.53860 7.135190 481.4728       87.24103 549.6486       104.0573 320.1735       160.0565 76.86748 8.046597 51.82851 16.25218 25.03896       18.13508 
1 1 1 -21 15 23 o 74.52172 7.031255 509.8509       88.42067 611.1038       105.9218 277.1060       160.5912 81.04585 7.747772 47.44005 16.34957 33.60580       18.09244 
1 1 1 -21 15 24 o 24.57412 10.23850 32.24291       71.27013 53.34138       82.96867 -27.15082      139.2063 27.47114 11.20450 27.53509 12.70453 -0.6394958E-01 16.93948 
1 1 1 -21 15 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 16 1  o 61.06524 13.30908 375.3661       134.8663 0.000000       0.000000 375.3661       134.8663 ?        ?        61.06524 13.30908 0.000000       13.30908 
1 1 1 -21 16 2  o 81.08069 7.433298 591.2438       101.7745 567.2588       137.2289 620.5625       151.7215 77.42020 10.66269 80.52161 11.34877 -3.101410      15.57201 
1 1 1 -21 16 3  o 18.96243 8.977452 -79.00446      77.30016 -31.89968      87.98077 -238.4480      161.8672 23.06122 10.43178 24.42612 11.91418 -1.364906      15.83571 
1 1 1 -21 16 4  o 67.47009 8.499216 416.6154       95.75171 477.3680       115.6608 284.2802       170.7031 71.58733 9.711974 51.36079 16.85081 20.22653       19.44923 
1 1 1 -21 16 5  o 75.39567 7.542503 511.7967       95.80714 411.8846       117.4874 710.1180       165.5262 65.79826 10.83334 86.19711 11.53456 -20.39886      15.82426 
1 1 1 -21 16 6  o 71.68848 7.888110 465.1318       94.96843 472.9146       114.9947 448.4382       168.4170 71.30305 9.695687 65.60673 15.31182 5.696320       18.12342 
1 1 1 -21 16 7  o 62.35407 9.417481 361.2981       97.15237 419.4845       125.6415 274.7724       153.2128 66.00596 11.56845 51.03675 15.88417 14.96921       19.65034 
1 1 1 -21 16 8  o 19.99758 8.930626 -18.23824      62.21379 -46.95900      68.62514 114.2820       147.4099 19.22008 8.886279 38.18088 15.15489 -18.96080      17.56806 
1 1 1 -21 16 9  o 24.83875 10.33845 22.61464       72.56549 45.39287       85.89584 -34.16795      135.6187 28.34546 11.45930 28.65841 12.95874 -0.3129501     17.29869 
1 1 1 -21 16 10 o 43.51326 11.17640 184.4499       83.48402 208.9978       94.58356 97.88713       177.6127 46.02710 11.93401 38.71833 16.14985 7.308762       20.08080 
1 1 1 -21 16 11 o 82.32435 6.765697 604.3427       94.27211 683.3288       109.0527 370.7624       187.5336 87.22032 7.391297 57.64845 17.50844 29.57188       19.00465 
1 1 1 -21 16 12 o 99.20805 7.839432 889.5285       131.7288 889.5285       131.7288 0.000000       0.000000 99.20805 7.839432 ?        ?        0.000000       7.839432 
1 1 1 -21 16 13 o 15.39107 7.569559 -133.9850      69.56907 -156.1096      73.25419 69.46439       222.1384 15.28690 7.564806 39.25024 17.23181 -23.96334      18.81918 
1 1 1 -21 16 14 o 90.76623 6.419985 733.9642       98.86657 745.3772       113.6148 698.3651       200.6569 90.87005 7.385609 81.64291 14.94310 9.227142       16.66863 
1 1 1 -21 16 15 o 111.1171 5.996297 1094.516       113.3588 1081.099       141.5044 1118.552       189.3941 109.1980 7.636532 108.5196 10.34540 0.6783752      12.85862 
1 1 1 -21 16 16 o 33.48360 11.02225 107.3553       73.01405 70.38965       83.84879 223.3057       148.5025 29.97725 11.56647 45.28245 15.71553 -15.30520      19.51310 
1 1 1 -21 16 17 o 102.0543 6.075581 927.9769       105.4027 908.0924       130.5792 965.1599       178.5621 99.68289 7.731473 99.98044 10.62122 -0.2975464     13.13720 
1 1 1 -21 16 18 o 28.87489 10.11189 75.24959       61.54715 102.7490       67.80713 -53.39327      146.6583 32.62051 10.61635 28.03783 12.97280 4.582674       16.76307 
1 1 1 -21 16 19 o 19.03884 8.732495 -33.03437      64.43171 -43.89415      72.40984 8.261018       141.2010 19.67263 9.106950 30.12549 13.45385 -10.45286      16.24631 
1 1 1 -21 16 20 o 42.50027 10.20453 180.8057       73.12553 129.6421       84.12295 339.0113       147.9261 35.67562 11.83529 54.05718 15.32263 -18.38156      19.36122 
1 1 1 -21 16 21 o 32.30971 10.69838 103.9569       68.74925 74.30853       78.22547 204.5710       144.1044 29.28086 11.20360 41.91459 15.37496 -12.63373      19.02393 
1 1 1 -21 16 22 o 30.99226 10.62193 94.98718       67.73936 140.3491       77.20373 -56.74732      141.2000 36.57446 11.25785 26.54302 12.43022 10.03144       16.77050 
1 1 1 -21 17 1  o 32.61535 12.37000 90.44521       94.83664 25.84926       116.7668 215.6417       162.5597 29.46056 12.71752 44.70763 16.34037 -15.24708      20.70611 
1 1 1 -21 17 2  o 48.84052 10.72542 233.9920       87.00474 169.2984       102.6121 399.4697       164.1111 40.76570 13.04044 60.14692 15.78067 -19.38121      20.47151 
1 1 1 -21 17 3  o 69.84115 7.984920 447.0826       93.52059 379.0057       112.1026 602.9123       169.6059 62.46016 10.90708 76.93996 13.39551 -14.47980      17.27437 
1 1 1 -21 17 4  o 73.53560 7.665076 492.1236       94.83868 464.9589       114.4652 551.6013       169.3748 70.11415 9.830370 73.00387 14.09673 -2.889717      17.18587 
1 1 1 -21 17 5  f 39.00922 12.39823 151.1880       92.86900 188.0019       111.4890 67.74660       167.8483 42.81501 13.58191 35.89122 15.36651 6.923790       20.50848 
1 1 1 -21 17 6  o 77.61495 7.158902 543.1260       93.81477 571.2479       115.1497 487.6095       161.7901 78.63741 8.721864 68.44548 14.30304 10.19193       16.75255 
1 1 1 -21 17 7  o 25.83962 10.72665 29.28049       77.82285 36.25486       87.78442 3.676223       168.1981 27.50617 11.40334 32.81081 14.66622 -5.304638      18.57779 
1 1 1 -21 17 8  o 88.58937 6.898152 704.3756       103.5330 738.2859       126.4805 635.5101       180.2430 89.71484 8.351707 78.64527 13.93088 11.06956       16.24255 
1 1 1 -21 17 9  o 50.21878 11.17397 248.8007       93.35354 264.7530       117.2799 221.2151       154.2241 50.49404 13.38488 45.41094 15.99944 5.083103       20.85994 
1 1 1 -21 17 10 o 25.20581 10.43196 28.82590       73.28701 12.24883       84.51955 79.05540       147.1237 25.23152 10.85603 35.07276 14.66974 -9.841246      18.24979 
1 1 1 -21 17 11 o 37.61994 11.16722 139.9168       76.93644 122.3682       89.30227 190.4470       151.5364 35.61484 12.19596 42.77518 15.75497 -7.160347      19.92386 
1 1 1 -21 17 12 o 25.60963 9.966423 45.81655       62.67078 28.71725       69.01031 126.2668       149.6886 24.61862 10.15005 38.00390 15.21035 -13.38528      18.28601 
1 1 1 -21 17 13 o 45.43332 9.326421 198.1491       69.93469 195.0956       78.68195 209.6370       152.6153 44.46033 10.52632 43.96235 15.86842 0.4979744      19.04232 
1 1 1 -21 17 14 o 70.37107 10.11308 477.1233       118.0370 477.1233       118.0370 0.000000       0.000000 70.37107 10.11308 ?        ?        0.000000       10.11308 
1 1 1 -21 17 15 o 34.30900 11.69896 115.2431       82.16885 168.9517       98.80197 -5.226007      147.9727 40.24417 12.78786 30.10827 13.58235 10.13590       18.65501 
1 1 1 -21 17 16 f 37.99836 11.55486 147.8587       81.64249 194.6154       98.25156 43.55138       146.7489 42.88562 12.59035 32.18050 14.06984 10.70512       18.88061 
1 1 1 -21 17 17 o 122.3884 6.017727 1339.931       125.7693 1558.633       163.5051 1023.018       196.8224 130.3574 7.375278 100.4759 11.68975 29.88145       13.82191 
1 1 1 -21 17 18 o 67.61839 8.698833 436.2405       98.11558 565.8416       126.8497 243.2342       154.8000 75.86406 10.03807 44.82012 16.00364 31.04394       18.89125 
1 1 1 -21 17 19 o 46.37151 11.35765 224.9258       89.22386 239.3530       106.8443 191.6811       162.1886 46.58812 12.95834 40.65222 15.97207 5.935902       20.56759 
1 1 1 -21 18 6  o 23.57673 10.66901 -24.59194      92.12839 -59.87120      104.0627 103.2962       198.1301 23.26303 10.82002 38.19999 16.52793 -14.93696      19.75463 
1 1 1 -21 18 7  o 25.38441 10.98603 13.16789       87.58584 -40.72979      103.8045 146.3670       163.1857 24.11665 11.06981 39.16932 15.80889 -15.05266      19.29927 
1 1 1 -21 18 8  o 65.27298 8.803334 402.1985       95.62268 352.3723       120.9311 485.3268       156.2008 58.30717 12.51945 67.22775 14.05825 -8.920582      18.82475 
1 1 1 -21 18 9  o 21.22787 9.723566 -35.07965      79.52170 -61.16254      98.55917 13.57233       134.6075 22.44735 10.47042 29.84188 13.24324 -7.394531      16.88233 
1 1 1 -21 18 10 o 43.84954 11.31701 196.5560       85.31460 169.7664       107.6093 241.8902       139.9844 40.01782 13.38933 46.06286 15.26660 -6.045044      20.30624 
1 1 1 -21 18 11 o 62.32700 7.963202 362.3061       82.81773 480.4760       104.6428 164.2044       135.4877 71.26617 8.784473 39.45736 14.82574 31.80882       17.23280 
1 1 1 -21 18 12 o 64.40813 8.822841 394.4211       94.48922 388.5166       121.2235 403.5622       150.8333 61.41518 11.98895 59.84796 14.83339 1.567226       19.07261 
1 1 1 -21 18 13 o 33.24941 12.44639 104.6185       95.31461 118.1296       114.1473 73.50179       173.2273 35.08312 13.50693 34.92604 15.27797 0.1570816      20.39249 
1 1 1 -20 0  1  o 159.2772 7.041681 2184.583       190.6758 2184.583       190.6758 2184.583       190.6758 159.2772 7.041681 159.2772 7.041681 0.000000       0.000000 
1 1 1 -20 0  2  o 25.44530 13.83708 78.68011       84.88342 78.68011       84.88342 78.68011       84.88342 25.44530 13.83708 25.44530 13.83708 0.000000       0.000000 
1 1 1 -20 0  3  o 214.4738 7.889840 3955.842       288.0770 3955.842       288.0770 3955.842       288.0770 214.4738 7.889840 214.4738 7.889840 0.000000       0.000000 
1 1 1 -20 0  4  o 32.70119 16.57334 135.7953       115.3888 135.7953       115.3888 135.7953       115.3888 32.70119 16.57334 32.70119 16.57334 -0.000000      0.000000 
1 1 1 -20 0  5  o 124.3247 8.712824 1343.776       182.8905 1343.776       182.8905 1343.776       182.8905 124.3247 8.712824 124.3247 8.712824 0.000000       0.000000 
1 1 1 -20 0  6  o 371.1331 25.79252 12289.29       1616.521 12289.29       1616.521 12289.29       1616.521 371.1331 25.79252 371.1331 25.79252 0.000000       0.000000 
1 1 1 -20 0  7  o 45.56088 23.93869 264.4331       246.5487 264.4331       246.5487 264.4331       246.5487 45.56088 23.93869 45.56088 23.93869 -0.000000      0.000000 
1 1 1 -20 0  8  o 193.4480 25.45690 3443.914       800.5190 3443.914       800.5190 3443.914       800.5190 193.4480 25.45690 193.4480 25.45690 0.000000       0.000000 
1 1 1 -20 0  9  f 70.65947 25.25646 573.5893       278.2640 573.5893       278.2640 573.5893       278.2640 70.65947 25.25646 70.65947 25.25646 0.000000       0.000000 
1 1 1 -20 0  10 o 254.0051 29.16055 5931.218       1221.636 5931.218       1221.636 5931.218       1221.636 254.0051 29.16055 254.0051 29.16055 0.000000       0.000000 
1 1 1 -20 0  11 f 42.03067 22.01715 224.6644       208.0840 224.6644       208.0840 224.6644       208.0840 42.03067 22.01715 42.03067 22.01715 -0.000000      0.000000 
1 1 1 -20 0  12 o 273.7612 30.64944 6927.023       1386.767 6927.023       1386.767 6927.023       1386.767 273.7612 30.64944 273.7612 30.64944 -0.000000      0.000000 
1 1 1 -20 0  13 o 318.8228 34.55961 9513.686       1825.541 9513.686       1825.541 9513.686       1825.541 318.8228 34.55961 318.8228 34.55961 0.000000       0.000000 
1 1 1 -20 0  14 o 48.09055 24.39967 300.1243       250.2583 300.1243       250.2583 300.1243       250.2583 48.09055 24.39967 48.09055 24.39967 0.000000       0.000000 
1 1 1 -20 0  15 o 66.26117 27.38884 543.2822       307.6666 543.2822       307.6666 543.2822       307.6666 66.26117 27.38884 66.26117 27.38884 0.000000       0.000000 
1 1 1 -20 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  17 o 19.75548 12.67758 4.144570       97.15569 4.144570       97.15569 4.144570       97.15569 19.75548 12.67758 19.75548 12.67758 -0.000000      0.000000 
1 1 1 -20 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  19 o 158.6500 23.49949 2374.350       595.5919 2374.350       595.5919 2374.350       595.5919 158.6500 23.49949 158.6500 23.49949 0.000000       0.000000 
1 1 1 -20 0  20 o 150.8838 9.689672 1984.150       247.3015 1984.150       247.3015 1984.150       247.3015 150.8838 9.689672 150.8838 9.689672 -0.000000      0.000000 
1 1 1 -20 0  21 o 20.97392 13.28995 15.35854       102.7757 15.35854       102.7757 15.35854       102.7757 20.97392 13.28995 20.97392 13.28995 0.000000       0.000000 
1 1 1 -20 0  22 o 56.37953 20.35889 370.0769       179.7039 370.0769       179.7039 370.0769       179.7039 56.37953 20.35889 56.37953 20.35889 -0.000000      0.000000 
1 1 1 -20 0  23 o 62.44699 25.10697 484.8786       260.6176 484.8786       260.6176 484.8786       260.6176 62.44699 25.10697 62.44699 25.10697 -0.000000      0.000000 
1 1 1 -20 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  25 o 209.6735 11.54889 3850.305       410.6418 3850.305       410.6418 3850.305       410.6418 209.6735 11.54889 209.6735 11.54889 0.000000       0.000000 
1 1 1 -20 0  26 o 171.0123 11.18221 2571.594       323.3526 2571.594       323.3526 2571.594       323.3526 171.0123 11.18221 171.0123 11.18221 0.000000       0.000000 
1 1 1 -20 0  27 o 133.2709 14.82425 1621.842       326.6945 1621.842       326.6945 1621.842       326.6945 133.2709 14.82425 133.2709 14.82425 0.000000       0.000000 
1 1 1 -20 0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  29 o 134.6714 11.11603 1625.862       251.6319 1625.862       251.6319 1625.862       251.6319 134.6714 11.11603 134.6714 11.11603 0.000000       0.000000 
1 1 1 -20 0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  31 o 32.73946 19.45418 135.0327       189.8015 135.0327       189.8015 135.0327       189.8015 32.73946 19.45418 32.73946 19.45418 -0.000000      0.000000 
1 1 1 -20 0  32 o 27.37895 17.51955 49.48431       183.9287 49.48431       183.9287 49.48431       183.9287 27.37895 17.51955 27.37895 17.51955 0.000000       0.000000 
1 1 1 -20 0  33 o 25.74653 16.72676 30.49650       176.1465 30.49650       176.1465 30.49650       176.1465 25.74653 16.72676 25.74653 16.72676 0.000000       0.000000 
1 1 1 -20 0  34 o 32.62846 19.19182 161.6668       181.4217 161.6668       181.4217 161.6668       181.4217 32.62846 19.19182 32.62846 19.19182 0.000000       0.000000 
1 1 1 -20 0  35 o 25.14918 16.93137 -1.499378      208.4404 -1.499378      208.4404 -1.499378      208.4404 25.14918 16.93137 25.14918 16.93137 -0.000000      0.000000 
1 1 1 -20 0  36 o 109.0324 13.20443 1192.425       236.2650 1192.425       236.2650 1192.425       236.2650 109.0324 13.20443 109.0324 13.20443 -0.000000      0.000000 
1 1 1 -20 0  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 1  1  o 60.18518 6.631631 314.4867       67.02589 244.4786       92.78359 390.8920       96.93018 52.24724 10.75772 66.83693 8.698731 -14.58969      13.83461 
1 1 1 -20 1  2  f 102.9838 5.297570 910.6239       92.84830 958.8405       133.4137 865.3366       129.2976 105.4007 7.460544 100.0781 7.623039 5.322556       10.66632 
1 1 1 -20 1  3  o 232.0637 5.372881 4611.831       212.9200 4580.953       290.3447 4647.756       313.1787 230.9861 7.360818 232.5691 7.885665 -1.583023      10.78728 
1 1 1 -20 1  4  o 198.2199 5.314296 3364.272       179.8850 3287.574       247.3524 3450.372       262.0772 195.6886 7.401995 200.4369 7.656841 -4.748383      10.64973 
1 1 1 -20 1  5  o 44.54462 13.10002 175.1907       106.2858 154.8099       136.9462 206.0633       168.5488 43.95026 15.10081 49.87172 16.75668 -5.921455      22.55706 
1 1 1 -20 1  6  o 107.0530 8.400443 991.0141       152.3360 955.9433       186.1797 1062.053       264.9758 104.7450 10.55244 109.5401 14.52357 -4.795090      17.95238 
1 1 1 -20 1  7  o 299.8631 8.874028 7734.152       454.4079 7635.446       496.0346 8249.307       1133.206 297.7157 9.756819 303.3156 22.02855 -5.599915      24.09258 
1 1 1 -20 1  8  f 180.5078 16.21564 2871.538       494.5083 2847.527       704.9787 2894.797       693.8351 176.5781 24.00157 178.3662 23.33924 -1.788071      33.47828 
1 1 1 -20 1  9  o 50.54409 16.58580 215.8518       165.3732 116.7185       234.7817 313.4653       232.9749 48.17352 19.12441 60.33900 19.68052 -12.16547      27.44205 
1 1 1 -20 1  10 f 174.8484 15.98842 2695.216       472.1015 2686.425       662.6896 2704.276       672.7283 171.6716 23.19952 172.1105 23.50359 -0.4389496     33.02478 
1 1 1 -20 1  11 o 150.1850 15.06830 1987.796       381.2383 1898.846       537.0902 2078.125       541.2385 144.0413 22.57724 151.2325 21.56868 -7.191284      31.22402 
1 1 1 -20 1  12 f 149.7385 15.36326 1980.606       387.2779 2077.108       548.2651 1884.506       547.1238 150.8952 21.91821 143.0703 23.18777 7.824905       31.90738 
1 1 1 -20 1  13 o 63.18595 17.00080 363.7660       187.4630 277.0926       262.7473 453.6323       267.5431 58.89533 20.86892 70.50645 20.79805 -11.61112      29.46304 
1 1 1 -20 1  14 o 159.1653 15.84789 2246.884       425.0190 2146.992       597.5522 2349.162       604.6459 152.1361 23.77906 159.7420 22.81369 -7.605911      32.95313 
1 1 1 -20 1  15 o 163.1916 23.94606 2476.648       647.4702 2476.648       647.4702 0.000000       0.000000 163.1916 23.94606 ?        ?        0.000000       23.94606 
1 1 1 -20 1  16 o 89.60048 19.28855 744.2325       286.3943 0.000000       0.000000 744.2325       286.3943 ?        ?        89.60048 19.28855 0.000000       19.28855 
1 1 1 -20 1  17 o 78.29721 14.89736 556.4739       191.9077 790.4895       340.6233 447.6490       232.2824 91.37407 22.07654 69.46626 19.02271 21.90781       29.14168 
1 1 1 -20 1  18 f 123.8496 13.85600 1364.026       288.0235 1255.603       405.1776 1474.780       409.5103 115.7564 21.28161 126.4715 19.59524 -10.71515      28.92888 
1 1 1 -20 1  19 o 98.89590 10.73307 860.8730       178.3512 879.4249       316.6964 852.2566       215.8310 96.77851 19.82951 97.63119 13.29107 -0.8526764     23.87178 
1 1 1 -20 1  20 o 336.7621 9.813282 9855.208       564.3382 9669.423       1866.062 9873.910       592.0621 299.7162 37.26418 336.7862 10.29464 -37.07004      38.66004 
1 1 1 -20 1  21 o 88.82276 8.386489 688.8661       125.7002 646.7849       185.5790 724.5390       170.8651 84.65213 13.27426 90.31968 11.32734 -5.667549      17.45035 
1 1 1 -20 1  22 f 99.63406 9.573195 871.7796       160.8744 1005.269       232.9739 750.1169       222.4146 105.8216 13.17781 90.56747 14.89924 15.25410       19.89075 
1 1 1 -20 1  23 o 90.54681 15.39508 755.3721       229.5226 781.0013       307.8290 723.2850       344.4347 89.83055 20.51708 85.36404 23.07654 4.466515       30.87842 
1 1 1 -20 1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 1  25 o 76.30499 15.43812 543.3720       194.2556 568.4600       293.7969 523.8851       258.9321 75.92944 21.61908 73.35505 20.08297 2.574387       29.50780 
1 1 1 -20 1  26 o 43.30663 16.76003 125.8618       176.4680 177.4226       260.7321 82.27768       239.7172 51.23389 20.21230 45.20699 18.80123 6.026897       27.60476 
1 1 1 -20 1  27 o 66.60693 17.33136 430.3236       199.0213 324.5424       296.0141 517.5869       268.8586 59.96155 22.02971 71.81282 20.75436 -11.85127      30.26635 
1 1 1 -20 1  28 o 44.88934 16.59068 165.9030       168.2954 -49.35594      262.8365 315.4834       219.1001 40.58162 18.22277 57.02026 19.10523 -16.43864      26.40226 
1 1 1 -20 1  29 o 32.27248 14.44054 -35.65268      163.5127 -35.65268      163.5127 0.000000       0.000000 32.27248 14.44054 ?        ?        0.000000       14.44054 
1 1 1 -20 1  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 1  31 o 84.94902 9.851537 665.0815       140.2576 702.0895       185.1810 615.2841       214.8087 84.98236 13.18787 76.54263 16.88713 8.439735       21.42650 
1 1 1 -20 1  32 o 42.57094 13.82699 181.6813       115.0432 154.5778       151.7960 218.2583       176.3402 40.99342 15.62539 46.11872 16.99416 -5.125309      23.08580 
1 1 1 -20 1  33 o 91.60004 8.824595 777.0927       136.3282 454.8327       196.2232 1077.789       189.5446 62.55523 17.61838 106.2422 10.58857 -43.68694      20.55541 
1 1 1 -20 1  34 o 30.14985 13.00180 38.40701       121.7946 -76.92194      166.9175 169.7276       178.1144 28.69360 13.46203 40.69436 16.48397 -12.00076      21.28256 
1 1 1 -20 1  35 f 30.09196 12.81196 53.81821       115.5100 31.84804       138.2766 104.5530       210.1285 30.40915 13.46222 37.18003 16.52082 -6.770884      21.31124 
1 1 1 -20 1  36 o 37.04887 14.86352 152.3763       143.3132 126.6747       198.3026 180.4768       207.3509 36.70714 16.19230 39.25572 16.94649 -2.548576      23.43873 
1 1 1 -20 1  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 2  1  o 131.1393 5.155588 1472.785       115.4551 1576.673       153.0278 1335.507       175.9092 135.5551 6.610779 124.3055 8.335239 11.24953       10.63854 
1 1 1 -20 2  2  o 279.9945 5.822271 6718.495       278.3837 6141.910       387.6969 7332.189       399.9784 267.1553 8.498193 292.0210 8.020853 -24.86569      11.68561 
1 1 1 -20 2  3  o 157.1347 4.983994 2113.750       133.7370 2174.496       179.8757 2038.663       199.9838 159.2181 6.615736 154.0516 7.601981 5.166534       10.07760 
1 1 1 -20 2  4  o 265.7590 7.868753 6068.889       357.1049 6013.712       389.3918 6360.827       895.6844 264.3794 8.624965 266.9662 19.78790 -2.586853      21.58590 
1 1 1 -20 2  5  o 157.2460 6.159192 2119.272       165.3885 2180.489       183.9225 1860.626       378.0506 159.4395 6.755182 145.1131 15.49563 14.32640       16.90406 
1 1 1 -20 2  6  o 178.6002 7.060137 2736.937       215.3263 2716.333       239.8101 2822.668       489.1643 177.8175 7.897525 178.8498 16.19195 -1.032288      18.01528 
1 1 1 -20 2  7  o 166.4145 7.335579 2376.986       208.4622 2422.980       237.6177 2223.305       434.3503 167.8957 8.287762 158.5667 16.27139 9.328979       18.26048 
1 1 1 -20 2  8  o 274.9079 8.379371 6496.984       393.3694 6471.896       430.7751 6622.915       965.1177 274.1849 9.200368 272.0497 20.93525 2.135223       22.86770 
1 1 1 -20 2  9  o 52.10017 14.16279 244.0969       129.3125 339.2001       217.6091 192.1810       160.7791 61.74289 18.88327 48.37114 16.36534 13.37175       24.98805 
1 1 1 -20 2  10 o 268.1077 20.34039 6425.004       924.3191 6383.567       1305.859 6466.609       1308.514 260.7255 29.86875 262.5526 29.70775 -1.827148      42.12711 
1 1 1 -20 2  11 o 317.2112 23.12721 9108.851       1244.146 9339.682       1759.357 8877.950       1759.619 311.7879 33.57335 302.8681 34.64558 8.919800       48.24402 
1 1 1 -20 2  12 o 307.9125 22.64956 8584.053       1182.577 8626.321       1670.831 8541.624       1674.006 299.1962 33.26518 297.4362 33.54385 1.760040       47.24154 
1 1 1 -20 2  13 o 209.3875 25.95746 4078.208       908.2429 4078.208       908.2429 0.000000       0.000000 209.3875 25.95746 ?        ?        0.000000       25.95746 
1 1 1 -20 2  14 o 156.5802 23.13909 2266.881       600.0691 2266.881       600.0691 0.000000       0.000000 156.5802 23.13909 ?        ?        0.000000       23.13909 
1 1 1 -20 2  15 o 169.4255 22.79939 2651.273       642.8895 0.000000       0.000000 2651.273       642.8895 ?        ?        169.4255 22.79939 0.000000       22.79939 
1 1 1 -20 2  16 o 48.11683 15.44731 200.4992       143.8876 94.38353       284.9731 236.8093       166.6971 50.17061 20.64845 52.03986 16.61825 -1.869251      26.50519 
1 1 1 -20 2  17 o 211.2344 15.88012 3970.526       568.6312 4829.565       828.2579 3204.643       782.0608 229.4508 21.38485 183.8358 25.60736 45.61497       33.36238 
1 1 1 -20 2  18 o 89.14759 10.71215 700.4012       159.8103 681.9697       350.4242 705.2413       179.5711 84.30026 23.47478 89.07856 12.11950 -4.778297      26.41870 
1 1 1 -20 2  19 o 100.8919 8.944709 887.8560       152.5099 916.3200       259.8420 872.8972       188.3687 100.4314 15.66179 99.41425 11.29636 1.017159       19.31061 
1 1 1 -20 2  20 o 109.8937 9.839975 1057.891       182.7033 1129.915       345.0545 1029.831       215.3719 110.0560 19.04970 107.7902 11.89895 2.265831       22.46054 
1 1 1 -20 2  21 o 33.53933 13.25151 58.96328       112.2280 76.85170       128.8657 2.794284       228.3492 36.52529 14.27000 41.24987 17.79567 -4.724583      22.81049 
1 1 1 -20 2  22 o 205.7855 7.229428 3657.221       254.0508 3908.730       381.5800 3456.968       340.4857 211.1184 10.61807 198.7820 10.06322 12.33640       14.62914 
1 1 1 -20 2  23 o 65.98975 16.05366 408.7813       179.1772 491.5144       236.1261 296.4777       275.1067 71.60690 18.99729 58.95681 21.30142 12.65009       28.54203 
1 1 1 -20 2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 2  25 o 173.5765 9.211210 2636.018       272.0523 0.000000       0.000000 2636.018       272.0523 ?        ?        173.5765 9.211210 0.000000       9.211210 
1 1 1 -20 2  26 o 60.90575 16.61831 352.9939       177.6500 109.1683       226.3762 743.8690       286.6224 45.62466 18.54666 87.23157 19.70620 -41.60691      27.06128 
1 1 1 -20 2  27 o 135.8985 8.385929 1619.572       193.6604 1794.478       279.7693 1458.663       268.3423 141.3629 11.69446 126.8918 12.54823 14.47109       17.15280 
1 1 1 -20 2  28 o 86.53621 12.04796 687.9762       173.2084 848.4657       274.0074 581.1663       223.5345 92.62878 17.97099 76.57775 17.47897 16.05103       25.06931 
1 1 1 -20 2  29 o 82.97778 10.28996 627.7117       142.6782 809.5548       231.3640 516.1187       181.2449 91.11993 15.41898 72.56198 15.11761 18.55795       21.59368 
1 1 1 -20 2  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 2  31 o 73.70736 14.88112 550.1112       180.8513 550.1112       180.8513 0.000000       0.000000 73.70736 14.88112 ?        ?        0.000000       14.88112 
1 1 1 -20 2  32 o 62.26210 12.75348 386.3101       131.0378 444.2160       187.0261 330.4753       183.6509 63.50962 16.93484 54.40157 17.45031 9.108051       24.31670 
1 1 1 -20 2  33 o 28.05335 12.11052 19.80899       105.8947 97.60043       167.7794 -31.69757      136.5224 37.18897 15.61712 28.31350 12.88124 8.875471       20.24403 
1 1 1 -20 2  34 o 65.95425 11.45815 439.1018       124.3675 275.9416       148.0598 830.0964       229.2005 48.59402 15.67694 84.92293 16.39857 -36.32891      22.68654 
1 1 1 -20 2  35 o 26.95429 11.86497 16.31987       105.9306 82.85555       134.7228 -91.43357      171.4468 33.00041 13.93332 27.94440 13.27027 5.056005       19.24155 
1 1 1 -20 2  36 o 22.08735 10.49860 -80.71720      107.7938 -171.4711      126.9964 153.1740       203.8758 21.23837 10.40059 37.78331 16.54996 -16.54494      19.54670 
1 1 1 -20 3  1  o 212.1692 5.199256 3855.934       188.3759 3941.152       257.4118 3757.675       276.4091 214.2157 7.036800 209.0411 7.743169 5.174637       10.46294 
1 1 1 -20 3  2  f 100.5527 6.655075 871.3585       113.6282 850.8235       126.1533 959.6395       261.5685 99.23130 7.500095 103.6519 15.23199 -4.420647      16.97837 
1 1 1 -20 3  3  o 73.96397 7.520454 474.7749       93.66618 448.0950       106.2714 567.6516       198.2791 71.59921 8.882501 79.29197 15.19667 -7.692757      17.60220 
1 1 1 -20 3  4  o 155.2103 6.242108 2065.518       165.4450 2111.675       183.1926 1861.330       385.3057 156.8694 6.838608 144.9190 15.82694 11.95033       17.24119 
1 1 1 -20 3  5  o 109.4460 6.419417 1030.695       119.4519 1045.939       134.5080 973.8060       259.8381 110.1480 7.190494 104.5806 14.97722 5.567429       16.61386 
1 1 1 -20 3  6  o 178.1400 6.544320 2721.651       199.0801 2727.955       219.5513 2692.498       472.1463 178.2611 7.212363 174.5827 16.01556 3.678329       17.56463 
1 1 1 -20 3  7  f 252.2289 7.604856 5464.624       327.5577 5459.161       358.0245 5492.686       811.4417 251.9546 8.321249 248.2216 19.29488 3.732986       21.01275 
1 1 1 -20 3  8  o 292.5289 8.339556 7359.277       416.5947 7351.655       454.4768 7399.362       1042.273 292.1753 9.108908 286.9358 21.42590 5.239502       23.28178 
1 1 1 -20 3  9  f 53.66024 11.28544 258.2628       100.1338 271.5660       123.0828 232.2238       172.1998 54.81796 13.28691 52.07762 16.91671 2.740345       21.51085 
1 1 1 -20 3  10 f 151.1170 7.045541 1960.220       181.8149 2085.363       212.5420 1618.825       351.0497 155.5403 8.029413 135.1530 15.49008 20.38733       17.44747 
1 1 1 -20 3  11 f 367.0909 26.11593 12422.23       1626.444 11867.33       2296.034 12981.12       2304.266 342.5762 40.00138 361.1385 37.93097 -18.56229      55.12593 
1 1 1 -20 3  12 o 153.7149 23.03323 2178.258       585.9860 2178.258       585.9860 0.000000       0.000000 153.7149 23.03323 ?        ?        0.000000       23.03323 
1 1 1 -20 3  13 f 287.5560 32.86761 8041.223       1584.966 8041.223       1584.966 0.000000       0.000000 287.5560 32.86761 ?        ?        0.000000       32.86761 
1 1 1 -20 3  14 o 47.24030 15.33875 191.1155       141.5788 30.75424       269.4147 252.2953       166.4086 46.34687 19.64332 53.40442 16.54307 -7.057552      25.68138 
1 1 1 -20 3  15 o 62.80033 16.18357 361.4954       174.6411 195.8335       299.7412 446.6346       214.8819 55.93997 21.78888 69.54012 17.96700 -13.60014      28.24125 
1 1 1 -20 3  16 o 183.2411 16.58079 3000.678       513.2159 2978.958       740.8577 3020.718       711.6187 177.6833 25.11670 179.8112 23.75724 -2.127823      34.57246 
1 1 1 -20 3  17 o 222.8265 8.365592 4285.319       318.3210 3762.640       911.1298 4357.986       339.7291 197.2090 27.82870 224.5617 8.859214 -27.35272      29.20483 
1 1 1 -20 3  18 f 117.1716 10.14491 1200.920       200.9861 1265.380       441.4343 1184.063       225.7416 114.9616 23.28417 115.9319 11.55670 -0.9702835     25.99442 
1 1 1 -20 3  19 o 76.92604 11.41891 527.4552       145.4502 643.7182       357.9962 504.4691       159.1804 81.57332 24.05709 74.77290 12.93461 6.800423       27.31388 
1 1 1 -20 3  20 o 67.93522 11.32369 413.8453       126.7423 505.8065       194.4908 345.9675       167.0939 73.89594 15.88517 61.05244 15.87775 12.84350       22.45978 
1 1 1 -20 3  21 o 42.93801 13.08628 164.3932       104.6321 170.2416       154.0175 159.3806       142.5870 45.59983 15.99454 44.10946 15.39419 1.490376       22.19924 
1 1 1 -20 3  22 o 99.55670 14.19563 899.5722       234.5040 787.9982       312.2827 1043.845       355.1067 90.27496 20.69874 104.2557 20.67630 -13.98069      29.25657 
1 1 1 -20 3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 3  25 f 109.4947 10.28260 1061.135       190.0118 1221.602       322.1907 975.5616       235.2836 114.2916 17.02797 103.5830 13.63269 10.70857       21.81289 
1 1 1 -20 3  26 o 153.6437 7.565315 2049.398       198.4923 2262.365       321.7887 1918.597       252.1857 159.1013 11.93079 147.4094 10.07873 11.69183       15.61808 
1 1 1 -20 3  27 o 48.70697 15.36710 220.3519       142.8728 108.2229       235.0384 286.0661       179.9324 45.57654 18.75438 54.79446 17.23983 -9.217926      25.47427 
1 1 1 -20 3  28 o 45.53056 15.30376 190.4329       140.5878 77.62936       258.7053 237.7058       167.4750 44.88832 19.14422 50.09814 16.70304 -5.209820      25.40655 
1 1 1 -20 3  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 3  30 o 28.24678 12.77676 -43.45469      131.9600 -221.5378      180.6543 160.2590       193.2178 27.16730 13.09180 44.16306 17.40705 -16.99576      21.78074 
1 1 1 -20 3  31 o 42.85788 13.63493 181.3606       112.2987 128.3984       164.9265 227.1397       153.3349 40.17104 16.00312 47.14421 15.98183 -6.973175      22.61679 
1 1 1 -20 3  32 o 39.93569 15.78486 138.4869       159.2975 138.4869       159.2975 0.000000       0.000000 39.93569 15.78486 ?        ?        0.000000       15.78486 
1 1 1 -20 3  33 o 77.05584 10.60849 574.4182       135.8913 369.9195       181.9406 832.4379       204.3671 55.96973 17.29132 89.59985 13.79972 -33.63013      22.12288 
1 1 1 -20 3  34 f 38.41380 14.12367 155.5690       121.7041 234.7463       162.5400 54.53259       183.6111 44.51400 16.32878 34.61110 15.40782 9.902893       22.45061 
1 1 1 -20 3  35 o 45.52914 14.16795 239.8269       121.8985 307.2232       146.9668 91.24211       218.2168 50.18279 15.54695 36.70084 16.53098 13.48195       22.69319 
1 1 1 -20 3  36 o 34.16557 13.59295 121.7662       118.8468 -164.3002      162.5710 450.1395       174.1781 24.58002 11.97841 58.21207 16.67056 -33.63205      20.52778 
1 1 1 -20 4  1  o 86.72218 7.502883 651.4175       110.0172 659.6747       116.9241 587.6561       324.9129 87.20123 7.938934 79.31064 22.78496 7.890594       24.12843 
1 1 1 -20 4  2  o 157.0494 6.491982 2116.702       174.1067 2071.404       191.1726 2336.973       421.5645 155.2676 7.210125 162.4629 15.37826 -7.195251      16.98460 
1 1 1 -20 4  3  o 94.92783 6.436178 776.6290       103.7169 778.3333       115.8399 769.7412       232.8786 94.92227 7.200045 92.58040 15.26212 2.341873       16.87521 
1 1 1 -20 4  4  o 104.1821 6.909736 935.8139       122.2319 875.8614       136.4345 1179.634       275.1407 100.6027 8.007985 115.3958 14.26637 -14.79302      16.36023 
1 1 1 -20 4  5  o 133.8529 6.400002 1536.809       146.2884 1565.127       165.3875 1435.003       313.5846 134.8085 7.210413 127.3259 14.69201 7.482643       16.36597 
1 1 1 -20 4  6  o 200.8485 6.572494 3460.914       225.4243 3540.567       248.7247 3094.538       533.4336 203.0538 7.173081 186.7378 16.91156 16.31601       18.36992 
1 1 1 -20 4  7  o 276.7557 7.972854 6585.943       376.8012 6588.312       410.4904 6573.268       949.7335 276.6234 8.689849 270.4118 20.72489 6.211578       22.47297 
1 1 1 -20 4  8  o 156.1417 6.463599 2091.362       172.3436 2086.549       190.7965 2112.698       401.6950 155.8789 7.167724 154.5576 15.42569 1.321243       17.00965 
1 1 1 -20 4  9  o 275.2076 7.631341 6509.432       358.6437 6593.756       391.3976 6067.930       895.5853 276.8241 8.279658 259.8899 20.34206 16.93414       21.96251 
1 1 1 -20 4  10 o 316.0084 8.639075 8599.880       466.1952 8613.368       507.8365 8527.602       1175.555 316.0045 9.410849 306.4215 22.62582 9.582947       24.50494 
1 1 1 -20 4  11 o 134.7978 8.202469 1569.462       187.9139 1542.461       200.9276 1757.879       530.7770 133.5004 8.864028 137.5159 23.44328 -4.015549      25.06309 
1 1 1 -20 4  12 o 260.1819 9.151725 5839.498       406.6136 5839.498       406.6136 0.000000       0.000000 260.1819 9.151725 ?        ?        0.000000       9.151725 
1 1 1 -20 4  13 o 67.47932 14.79777 414.4071       165.8222 436.0919       262.5229 400.0120       213.8938 69.00921 20.66099 66.00784 18.32570 3.001366       27.61716 
1 1 1 -20 4  14 o 250.2521 19.51681 5650.183       827.4492 5625.378       1176.129 5674.492       1164.340 242.1604 29.01935 243.6666 28.52183 -1.506226      40.68928 
1 1 1 -20 4  15 o 74.79419 14.02035 505.6759       172.4931 808.0809       274.8871 309.2579       221.5391 93.82162 17.80871 59.19896 19.18461 34.62266       26.17632 
1 1 1 -20 4  16 o 84.11894 11.33810 626.4135       158.7190 709.7374       337.9196 602.8278       179.7846 86.27265 22.64899 81.96037 13.30135 4.312279       26.26600 
1 1 1 -20 4  17 o 279.1631 9.026769 6743.495       430.3208 6947.345       1371.618 6721.240       453.2023 264.1341 30.99870 278.4907 9.529704 -14.35660      32.43046 
1 1 1 -20 4  18 o 78.86012 11.07714 552.2426       145.0583 566.0269       330.5313 548.9544       161.4354 77.03378 23.21032 78.22406 12.50658 -1.190285      26.36538 
1 1 1 -20 4  19 o 155.7306 8.900573 2108.331       235.7153 2282.689       594.6622 2075.829       256.7469 154.5985 23.24426 154.2308 9.799228 0.3677521      25.22540 
1 1 1 -20 4  20 o 122.0902 9.109464 1300.935       188.5546 1022.340       453.1357 1359.274       207.3591 100.8171 26.11196 124.5944 9.825653 -23.77735      27.89942 
1 1 1 -20 4  21 o 97.68974 9.196511 836.6859       151.6114 777.3244       251.5054 870.5701       190.0176 91.48276 16.71523 98.97325 11.45446 -7.490494      20.26336 
1 1 1 -20 4  22 o 118.3260 15.06565 1274.615       297.5127 1408.766       406.6166 1120.049       436.4597 121.6179 20.29392 105.6384 24.64576 15.97950       31.92580 
1 1 1 -20 4  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 4  24 o 117.2183 9.092759 1204.426       180.5848 1580.272       350.2781 1068.367       210.7515 131.0996 15.97667 109.5266 11.43674 21.57302       19.64823 
1 1 1 -20 4  25 o 181.1512 7.456038 2844.909       230.6488 3031.097       375.3944 2731.996       292.3374 184.4508 11.98302 176.3314 9.746345 8.119385       15.44616 
1 1 1 -20 4  26 o 41.17831 15.51564 124.6990       148.5920 -5.984921      273.0541 179.6819       177.1134 43.50203 19.10150 46.81137 17.06422 -3.309341      25.61357 
1 1 1 -20 4  27 o 173.8812 6.576621 2624.495       195.2798 2716.372       317.0083 2568.311       247.8989 174.2787 10.70363 171.0816 8.485342 3.197098       13.65902 
1 1 1 -20 4  28 o 52.78487 16.93330 273.5204       172.9268 306.8835       256.8659 245.8659       233.8607 56.10603 20.53523 51.94808 19.48605 4.157951       28.30904 
1 1 1 -20 4  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 4  30 o 110.5340 8.122486 1094.285       152.2418 1086.581       210.7323 1102.696       220.1835 107.5625 11.65943 107.9498 12.15585 -0.3872604     16.84361 
1 1 1 -20 4  31 o 21.63948 10.28524 -107.4078      103.4332 -44.78069      152.7329 -160.4615      140.5755 29.88999 13.60854 24.36044 11.68997 5.529552       17.94012 
1 1 1 -20 4  32 o 87.88953 9.039720 715.3015       133.7389 709.7346       170.1706 724.2946       216.2871 85.10756 12.04524 82.19296 15.98523 2.914597       20.01538 
1 1 1 -20 4  33 o 34.74154 14.95259 69.19187       160.4465 69.19187       160.4465 0.000000       0.000000 34.74154 14.95259 ?        ?        0.000000       14.95259 
1 1 1 -20 4  34 o 96.95863 8.457639 885.4905       138.6332 761.1769       184.8014 1045.492       209.6562 84.53604 13.23582 100.1670 12.53112 -15.63098      18.22679 
1 1 1 -20 4  35 o 80.50890 9.657673 637.2108       130.1257 712.6003       173.4682 540.1978       196.7793 81.26180 12.93414 64.48840 17.44629 16.77339       21.71785 
1 1 1 -20 4  36 o 40.13379 14.11220 196.6992       119.9343 249.6510       161.3019 131.2301       179.3566 42.75928 16.15280 35.69211 15.58124 7.067169       22.44299 
1 1 1 -20 5  1  o 213.3881 5.595013 3904.134       203.8793 4038.060       280.6329 3754.440       296.6949 216.6394 7.585763 208.7305 8.323811 7.908920       11.26187 
1 1 1 -20 5  2  o 51.66449 8.724247 236.3104       74.22896 130.0081       96.29769 391.9500       116.5211 39.13080 12.64500 66.47725 10.62188 -27.34645      16.51424 
1 1 1 -20 5  3  o 259.5179 8.042734 5797.874       356.4289 5753.793       372.6517 6271.347       1221.308 258.4214 8.444475 257.1696 28.27720 1.251831       29.51117 
1 1 1 -20 5  4  o 177.7973 6.694974 2714.081       203.2713 2677.572       223.4009 2889.718       489.9995 176.4876 7.412570 180.4643 16.06829 -3.976715      17.69566 
1 1 1 -20 5  5  o 317.4695 8.243818 8676.135       446.9227 8797.663       486.0597 8011.348       1136.820 319.4668 8.909678 296.5851 22.61657 22.88165       24.30826 
1 1 1 -20 5  6  f 305.1622 8.197911 8015.173       427.2046 8059.470       464.5690 7772.554       1087.251 305.7875 8.896691 292.7433 21.90792 13.04425       23.64547 
1 1 1 -20 5  7  o 122.9909 6.735968 1302.422       140.9356 1249.928       155.7486 1539.679       331.1130 120.3377 7.618470 131.7447 14.98432 -11.40705      16.80985 
1 1 1 -20 5  8  o 105.5864 6.603563 960.5803       118.4679 1031.157       134.1868 711.1702       252.2523 109.3158 7.229091 88.27715 17.35209 21.03866       18.79773 
1 1 1 -20 5  9  o 244.2306 7.124166 5124.559       297.1228 5174.586       324.5254 4865.289       738.7834 245.2818 7.747854 233.1188 18.71608 12.16298       20.25638 
1 1 1 -20 5  10 o 212.9588 7.831469 3901.862       284.8004 3867.307       299.7128 4223.417       914.2712 211.9185 8.281987 212.6714 25.69564 -0.7529449     26.99736 
1 1 1 -20 5  11 o 179.1808 7.347597 2760.263       224.8219 2635.641       247.7161 3342.516       535.4421 174.9247 8.292801 193.9581 16.31762 -19.03343      18.30397 
1 1 1 -20 5  12 o 214.9320 6.914859 3969.318       253.7970 4100.713       283.4931 3438.871       569.6064 218.3167 7.604199 196.2318 17.17105 22.08492       18.77948 
1 1 1 -20 5  13 o 288.5134 8.642686 7180.410       425.8107 7221.362       447.3687 6785.954       1388.439 289.1897 9.059012 263.3963 31.49297 25.79333       32.77000 
1 1 1 -20 5  14 f 128.8431 6.615443 1430.121       145.0625 1499.184       185.1502 1320.333       233.4408 131.5994 8.281119 122.7363 11.26352 8.863060       13.98013 
1 1 1 -20 5  15 o 110.1690 10.53120 1063.229       195.7113 1395.945       448.9020 985.1458       217.4672 121.6677 22.43249 105.5201 12.29938 16.14762       25.58303 
1 1 1 -20 5  16 o 290.5988 9.235313 7311.749       458.2975 7779.403       1475.843 7261.839       482.1328 278.9378 31.53749 289.3726 9.756801 -10.43478      33.01224 
1 1 1 -20 5  17 o 207.1740 7.986969 3705.504       282.5656 3588.890       778.9053 3723.177       303.2218 194.5015 23.95733 207.4987 8.557425 -12.99718      25.43980 
1 1 1 -20 5  18 o 91.72038 10.61166 742.5056       163.1384 504.8952       351.0342 807.9620       184.2437 73.37395 24.16876 95.45612 11.53690 -22.08218      26.78113 
1 1 1 -20 5  19 o 35.76479 13.94135 74.03431       122.7849 84.86956       278.1191 71.41117       136.8429 48.64212 20.24235 36.87291 14.61239 11.76921       24.96547 
1 1 1 -20 5  20 o 143.2669 9.799797 1796.067       238.3139 2166.788       563.8821 1715.450       262.9520 150.1696 22.69706 139.5105 11.13005 10.65910       25.27913 
1 1 1 -20 5  21 o 36.33983 15.22865 31.92540       158.9942 -120.5421      309.3318 86.66780       185.3522 43.04817 19.50869 41.83649 16.86140 1.211678       25.78557 
1 1 1 -20 5  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 5  23 o 56.45257 19.15903 285.3057       220.3636 0.000000       0.000000 285.3057       220.3636 ?        ?        56.45257 19.15903 0.000000       19.15903 
1 1 1 -20 5  24 o 47.25373 15.37824 199.2586       142.2785 302.4346       274.3513 161.3015       166.4042 58.85035 21.27074 45.23566 16.53260 13.61470       26.94015 
1 1 1 -20 5  25 f 57.13864 13.81328 305.2175       133.2933 169.2549       250.8290 358.7228       157.3499 50.15942 19.81318 61.64803 15.07271 -11.48860      24.89475 
1 1 1 -20 5  26 o 137.7675 9.172912 1674.990       214.5687 1583.791       312.3255 1756.508       295.2830 131.0554 14.18186 139.1627 12.56088 -8.107285      18.94468 
1 1 1 -20 5  27 o 110.6142 9.099447 1088.521       170.3567 1037.675       262.2657 1125.633       224.0614 104.4287 15.14904 110.8790 12.02638 -6.450294      19.34237 
1 1 1 -20 5  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 5  29 o 109.5592 9.200737 1084.279       170.5427 1019.075       264.2029 1130.853       223.2933 101.1074 15.82083 109.7734 12.11355 -8.665924      19.92578 
1 1 1 -20 5  30 o 63.43571 12.15788 389.5089       126.9087 199.2269       201.3088 515.0092       163.4882 46.15821 17.89042 72.04021 13.79184 -25.88201      22.58942 
1 1 1 -20 5  31 o 73.20098 9.581942 499.4651       116.9011 158.3941       169.4347 809.3279       161.4971 41.79490 16.35333 92.78288 10.37021 -50.98798      19.36422 
1 1 1 -20 5  32 f 57.66906 13.33071 344.3335       128.6521 174.1667       152.2675 768.8855       240.5113 41.60038 15.69899 82.10773 17.67643 -40.50735      23.64138 
1 1 1 -20 5  33 o 36.92966 14.26245 132.7142       127.5860 241.9770       153.2487 -114.0752      230.3159 45.67004 15.95819 32.00407 15.24994 13.66597       22.07316 
1 1 1 -20 5  34 o 67.10246 12.07162 470.4198       133.2405 406.6247       161.5085 606.3490       235.7534 58.12310 15.83967 65.81749 19.55072 -7.694393      25.16199 
1 1 1 -20 5  35 o 21.30124 10.30996 -127.9720      115.0815 -52.90582      135.7710 -319.5243      216.8844 25.97694 12.17269 25.60213 12.72886 0.3748074      17.61245 
1 1 1 -20 5  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 6  1  o 152.3102 5.094704 1988.078       132.5103 1884.778       178.4462 2115.063       197.8479 148.0497 7.058261 156.7805 7.389882 -8.730728      10.21907 
1 1 1 -20 6  2  f 332.3513 6.601460 9488.980       374.6617 9348.862       533.9307 9624.896       525.8647 328.8140 9.508953 333.7555 9.226644 -4.941498      13.24957 
1 1 1 -20 6  3  o 117.0627 4.868252 1173.854       97.31805 1205.156       124.8468 1125.381       155.3602 118.3348 6.199781 114.0291 8.029792 4.305763       10.14470 
1 1 1 -20 6  4  o 258.7846 7.716412 5764.015       341.0011 5718.004       371.7694 6007.975       856.0560 257.5443 8.453174 258.0490 19.57242 -0.5046997     21.31985 
1 1 1 -20 6  5  o 207.7256 6.958081 3708.180       246.8206 3671.164       269.5938 3899.926       613.5927 206.5487 7.643382 208.9104 17.35676 -2.361694      18.96519 
1 1 1 -20 6  6  o 130.5079 6.161897 1461.610       137.3261 1452.702       150.8690 1504.652       331.6299 129.8595 6.827346 129.9579 15.23231 -0.9844971E-01 16.69239 
1 1 1 -20 6  7  o 274.0977 7.724559 6465.474       361.5605 6471.674       393.5601 6431.932       915.4016 274.0300 8.410291 266.6729 20.25291 7.357117       21.92974 
1 1 1 -20 6  8  o 112.2115 6.842788 1085.725       130.4944 1085.686       146.4218 1085.874       287.7073 112.0643 7.698010 109.9676 15.77251 2.096703       17.55083 
1 1 1 -20 6  9  o 122.0938 7.275409 1286.304       151.0003 1286.304       151.0003 0.000000       0.000000 122.0938 7.275409 ?        ?        0.000000       7.275409 
1 1 1 -20 6  10 f 164.8788 7.005787 2336.781       197.2530 2235.250       217.1701 2815.380       471.5074 161.1119 7.893517 177.9913 15.67258 -16.87943      17.54815 
1 1 1 -20 6  11 o 148.0816 6.362596 1883.013       160.8931 1916.449       181.4976 1760.324       347.6689 149.2834 7.119629 140.7651 14.67930 8.518387       16.31475 
1 1 1 -20 6  12 o 28.48299 10.69605 52.66190       70.50052 83.74867       90.56121 4.840558       112.3221 33.79725 12.22002 29.78282 12.65603 4.014433       17.59272 
1 1 1 -20 6  13 o 134.2446 6.098013 1547.521       139.7935 1510.983       182.5332 1599.352       217.4029 132.1175 8.130047 135.6222 9.446100 -3.504700      12.46300 
1 1 1 -20 6  14 o 150.2494 6.403598 1940.156       164.3004 2286.741       230.2841 1580.811       234.4845 162.5479 8.324158 134.5612 10.28234 27.98662       13.22945 
1 1 1 -20 6  15 o 183.5270 6.211543 2894.462       194.6711 3065.639       266.3205 2698.062       285.2682 188.4075 8.277601 176.1863 9.516847 12.22119       12.61305 
1 1 1 -20 6  16 o 245.3426 6.164579 5174.234       258.2726 5535.561       361.0658 4795.649       369.5884 253.0536 8.355490 235.2282 9.200829 17.82538       12.42857 
1 1 1 -20 6  17 o 82.96948 12.72068 618.1079       174.4826 754.4893       348.6939 572.5530       201.5275 88.13975 22.94370 78.91169 15.50818 9.228058       27.69327 
1 1 1 -20 6  18 f 165.2053 8.046503 2360.362       227.0038 1975.173       571.0497 2432.654       247.3904 142.6036 24.32248 167.3257 8.687904 -24.72208      25.82756 
1 1 1 -20 6  19 o 145.0012 8.212071 1826.319       202.5065 1722.373       497.8863 1846.924       221.6704 133.7228 22.60931 145.5849 8.959911 -11.86205      24.31997 
1 1 1 -20 6  20 o 291.6654 38.77468 9706.088       1883.374 9706.088       1883.374 0.000000       0.000000 291.6654 38.77468 ?        ?        0.000000       38.77468 
1 1 1 -20 6  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 6  22 o 252.6335 9.469200 5566.252       408.5132 0.000000       0.000000 5566.252       408.5132 ?        ?        252.6335 9.469200 0.000000       9.469200 
1 1 1 -20 6  23 o 208.8429 8.956839 3802.259       319.4305 0.000000       0.000000 3802.259       319.4305 ?        ?        208.8429 8.956839 0.000000       8.956839 
1 1 1 -20 6  24 o 127.9734 10.69030 1452.332       231.4816 0.000000       0.000000 1452.332       231.4816 ?        ?        127.9734 10.69030 0.000000       10.69030 
1 1 1 -20 6  25 o 27.25279 13.00161 -199.8371      168.4694 -874.5540      296.7268 121.1188       204.6532 27.21422 13.71955 44.50401 17.79454 -17.28979      22.46935 
1 1 1 -20 6  26 o 90.83758 12.64636 761.0497       190.8487 746.1841       282.6588 773.5048       258.7279 85.68182 19.72655 88.62810 17.71442 -2.946274      26.51296 
1 1 1 -20 6  27 o 75.59437 13.47517 543.2929       167.5722 369.6342       252.1500 680.6598       224.2600 59.79338 20.49332 82.92709 16.41725 -23.13371      26.25837 
1 1 1 -20 6  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 6  29 o 53.47842 13.90081 285.6160       128.1180 -8.919660      224.8413 427.2287       155.9043 37.62677 16.87798 65.37897 14.35726 -27.75220      22.15845 
1 1 1 -20 6  30 o 43.58415 13.96595 189.9513       117.6558 124.9442       199.5985 224.5667       145.6505 41.42502 17.18610 46.73117 15.57656 -5.306145      23.19464 
1 1 1 -20 6  31 o 61.45552 11.79508 371.7001       119.2824 361.3411       162.6475 383.7558       175.4621 57.47267 15.98893 58.66566 16.70852 -1.192997      23.12619 
1 1 1 -20 6  32 o 33.18933 13.52033 81.49728       120.6256 118.5854       140.6406 -21.70173      234.6016 36.80372 14.73872 35.41425 16.39348 1.389473       22.04486 
1 1 1 -20 6  33 o 62.07247 11.75045 396.0678       119.9923 462.1428       139.6487 209.6584       234.5590 66.11594 12.83163 42.87481 18.25581 23.24112       22.31424 
1 1 1 -20 6  34 o 32.96441 13.54617 92.98530       122.4148 35.92445       146.4003 225.6036       223.1899 30.99050 13.77928 42.43948 17.92702 -11.44898      22.61077 
1 1 1 -20 6  35 o 28.36971 12.48051 36.61052       117.0524 -9.447495      141.2255 137.6861       209.2106 27.84422 12.82914 36.79723 16.40905 -8.953007      20.82892 
1 1 1 -20 7  1  o 60.19244 6.838794 315.4973       69.04700 272.5154       85.01641 398.7863       118.3459 55.40150 9.316942 66.96492 10.71005 -11.56342      14.19544 
1 1 1 -20 7  2  o 143.6695 5.380297 1770.084       131.9996 1821.681       175.5225 1702.914       200.2667 145.5197 7.063323 140.2362 8.401404 5.283493       10.97607 
1 1 1 -20 7  3  o 123.8602 5.025968 1314.803       106.3050 1288.069       139.2648 1352.129       164.5565 122.2382 6.697124 125.0525 7.743951 -2.814301      10.23818 
1 1 1 -20 7  4  o 139.8233 5.180401 1675.879       123.6929 1837.406       164.2828 1464.452       187.9535 146.2305 6.578881 130.0029 8.513353 16.22766       10.75913 
1 1 1 -20 7  5  o 182.9267 6.675900 2875.759       208.5398 2829.301       228.4604 3107.845       510.6324 181.3129 7.378707 186.6185 16.18353 -5.305618      17.78628 
1 1 1 -20 7  6  o 125.1022 6.471244 1347.955       137.7736 1334.724       144.5536 1479.156       455.1995 124.4238 6.829483 125.8033 21.98941 -1.379509      23.02555 
1 1 1 -20 7  7  o 132.6070 6.700112 1515.015       151.2311 1518.401       159.0164 1482.943       489.3163 132.6935 7.042849 125.1019 23.77379 7.591606       24.79505 
1 1 1 -20 7  8  o 190.6150 6.762545 3123.133       220.1249 3121.021       242.2327 3133.145       527.4000 190.4151 7.449540 187.1285 16.67920 3.286606       18.26722 
1 1 1 -20 7  9  o 101.0542 6.430361 880.7775       110.3895 877.1605       123.7758 894.8386       244.0455 100.7096 7.245614 99.79795 14.76588 0.9116135      16.44780 
1 1 1 -20 7  10 f 100.1155 6.616899 865.1774       112.4869 908.9153       129.3825 729.7499       227.6667 102.4816 7.443940 89.70951 15.41701 12.77207       17.12006 
1 1 1 -20 7  11 o 181.6994 6.556524 2837.759       203.4366 2826.328       224.1799 2891.092       484.2390 181.2000 7.244968 179.8725 15.92974 1.327560       17.49989 
1 1 1 -20 7  12 o 147.0875 5.960566 1857.785       149.7150 1944.139       201.9358 1752.380       223.1006 149.9404 7.914690 141.9991 9.251054 7.941330       12.17474 
1 1 1 -20 7  13 o 169.1041 5.864037 2455.693       169.3373 2514.083       220.6995 2372.116       264.0459 170.7776 7.567783 165.2060 9.398323 5.571548       12.06647 
1 1 1 -20 7  14 o 107.3216 6.671083 994.8171       121.6552 1395.693       180.0210 657.8619       165.0456 126.8144 8.359793 86.07660 11.51711 40.73775       14.23130 
1 1 1 -20 7  15 o 48.95982 12.81965 218.4139       108.4449 212.9939       147.9691 224.7034       159.3961 49.12468 15.65373 50.50017 16.26332 -1.375488      22.57288 
1 1 1 -20 7  16 o 125.3152 7.328302 1359.116       156.1397 1543.791       208.6333 1123.987       235.4140 133.0767 9.238008 112.4461 12.46986 20.63062       15.51896 
1 1 1 -20 7  17 o 137.5943 8.346071 1644.919       195.1762 1870.918       476.6303 1599.388       213.9354 141.1725 20.35963 135.3838 9.310269 5.788712       22.38740 
1 1 1 -20 7  18 o 118.1668 16.07348 1276.219       315.9287 1172.639       476.3465 1357.564       422.1316 107.7811 26.14787 119.0110 21.56512 -11.22992      33.89344 
1 1 1 -20 7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 7  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 7  21 o 113.9024 11.21105 1150.754       215.2366 0.000000       0.000000 1150.754       215.2366 ?        ?        113.9024 11.21105 0.000000       11.21105 
1 1 1 -20 7  22 f 108.2266 10.99876 1040.900       200.4484 0.000000       0.000000 1040.900       200.4484 ?        ?        108.2266 10.99876 0.000000       10.99876 
1 1 1 -20 7  23 o 161.2381 12.34786 2325.524       337.4022 0.000000       0.000000 2325.524       337.4022 ?        ?        161.2381 12.34786 0.000000       12.34786 
1 1 1 -20 7  24 o 115.3841 12.72794 1208.504       246.6140 0.000000       0.000000 1208.504       246.6140 ?        ?        115.3841 12.72794 0.000000       12.72794 
1 1 1 -20 7  25 o 113.1843 9.870773 1142.744       188.8734 1126.878       322.4029 1151.034       233.0523 107.1904 18.26835 112.2673 12.36102 -5.076889      22.05737 
1 1 1 -20 7  26 f 49.69935 16.76379 235.2676       168.6984 114.6901       269.0904 313.3447       216.5346 46.76765 19.71593 56.09372 18.99207 -9.326065      27.37548 
1 1 1 -20 7  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 7  28 o 60.18325 14.16084 359.9785       143.1068 363.7064       211.8648 356.8504       194.0710 58.16862 18.75172 58.01642 17.84768 0.1521950      25.88758 
1 1 1 -20 7  29 o 98.19640 9.254729 882.3960       153.3585 1044.400       234.4377 761.2169       202.7584 103.0962 13.65207 87.53513 14.03869 15.56111       19.58224 
1 1 1 -20 7  30 o 69.50191 12.20286 474.1645       139.5469 300.3845       215.8946 598.8673       182.8858 51.57150 18.83385 76.30084 14.56753 -24.72934      23.81023 
1 1 1 -20 7  31 f 23.77611 10.92418 -46.01952      101.4299 7.350947       129.7524 -129.8780      162.6441 29.56003 13.06575 27.07224 12.87618 2.487799       18.34420 
1 1 1 -20 7  32 o 63.35744 10.66183 397.4394       111.2572 328.4281       146.0807 492.7631       171.6854 53.51890 15.24652 65.82709 15.52508 -12.30819      21.75970 
1 1 1 -20 7  33 o 38.88515 14.06406 165.9825       119.9692 -25.32657      141.4376 656.6177       226.5042 28.03827 12.88893 70.76273 18.52655 -42.72446      22.56896 
1 1 1 -20 7  34 o 23.87740 10.94272 -24.94487      100.8877 -76.70892      121.9080 87.55698       179.7206 23.80001 11.26955 34.51843 15.31126 -10.71842      19.01151 
1 1 1 -20 7  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 8  2  f 110.4230 14.69395 1094.132       270.1979 793.8685       572.4585 1180.199       306.4856 90.44286 30.87898 114.1958 16.16839 -23.75294      34.85582 
1 1 1 -20 8  3  o 222.6826 5.444046 4254.140       207.0190 4199.401       290.8547 4310.344       294.7216 220.7172 7.716815 223.6133 7.718134 -2.896149      10.91416 
1 1 1 -20 8  4  o 174.1848 5.014797 2600.970       149.1645 2572.639       202.2067 2634.793       220.9362 172.9344 6.847189 174.9022 7.397241 -1.967819      10.07984 
1 1 1 -20 8  5  o 168.4188 5.393736 2433.124       155.1251 2344.335       218.7782 2522.896       219.9870 164.9084 7.768894 171.1233 7.528109 -6.214859      10.81795 
1 1 1 -20 8  6  o 161.3808 5.218094 2233.376       143.8022 2410.308       205.3793 2063.211       201.4129 167.3263 7.187707 154.7313 7.622670 12.59503       10.47703 
1 1 1 -20 8  7  o 166.5910 6.235424 2384.356       177.3861 2400.446       195.9881 2311.462       417.1548 167.0415 6.870736 160.8696 15.37235 6.171890       16.83794 
1 1 1 -20 8  8  o 115.8854 6.673216 1158.627       131.5002 1177.441       139.2773 1004.139       399.1089 116.7625 7.017720 102.2663 23.36503 14.49616       24.39617 
1 1 1 -20 8  9  o 142.7578 6.452178 1751.947       157.2925 1707.175       173.2598 1961.815       375.1200 140.6175 7.239908 148.1899 15.03147 -7.572464      16.68417 
1 1 1 -20 8  10 o 82.42573 7.057544 589.0871       98.38069 550.1254       122.9220 658.5212       164.0957 79.18745 9.265320 86.18459 11.43188 -6.997139      14.71509 
1 1 1 -20 8  11 o 27.70278 11.02390 35.83384       78.18264 20.40206       113.5583 49.74033       107.8002 30.92373 12.90728 32.42752 12.93184 -1.503784      18.27103 
1 1 1 -20 8  12 o 228.5989 5.504673 4485.823       214.8857 4941.578       284.2887 3878.365       328.2102 239.5518 6.949574 211.5882 9.083614 27.96358       11.43716 
1 1 1 -20 8  13 o 51.45671 9.747620 237.2485       82.51735 298.9575       107.9905 150.6634       127.9184 57.54310 11.39294 42.68267 14.59667 14.86044       18.51653 
1 1 1 -20 8  14 o 86.16856 7.802620 646.3417       113.5677 652.8347       149.6098 637.5131       174.4558 85.97737 10.40154 84.34253 12.49019 1.634842       16.25414 
1 1 1 -20 8  15 o 152.2147 6.229057 1993.448       161.9126 2068.932       224.1928 1911.156       234.0855 154.3285 8.540169 148.0707 9.305022 6.257751       12.63004 
1 1 1 -20 8  16 o 212.4555 18.04195 4135.480       648.3751 4414.641       950.6774 3892.705       886.5583 211.1594 26.98147 198.2791 26.87618 12.88022       38.08319 
1 1 1 -20 8  17 o 89.29188 28.93090 816.5266       503.8310 816.5266       503.8310 0.000000       0.000000 89.29188 28.93090 ?        ?        0.000000       28.93090 
1 1 1 -20 8  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 8  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 8  20 o 170.0518 7.367671 2501.441       213.9506 2705.191       308.7815 2313.294       296.7223 175.4593 10.35144 162.0109 10.78682 13.44839       14.95018 
1 1 1 -20 8  21 o 103.1340 10.58412 943.3131       183.7632 829.0989       259.9445 1057.415       259.8163 94.03625 16.80434 107.5908 14.51151 -13.55452      22.20292 
1 1 1 -20 8  22 o 139.9142 11.65009 1745.767       275.8210 0.000000       0.000000 1745.767       275.8210 ?        ?        139.9142 11.65009 0.000000       11.65009 
1 1 1 -20 8  23 o 155.5847 10.66556 2152.866       281.6586 0.000000       0.000000 2152.866       281.6586 ?        ?        155.5847 10.66556 0.000000       10.66556 
1 1 1 -20 8  24 o 67.25955 18.11630 450.8640       212.7352 0.000000       0.000000 450.8640       212.7352 ?        ?        67.25955 18.11630 0.000000       18.11630 
1 1 1 -20 8  25 o 52.78920 17.63987 271.2368       186.7742 0.000000       0.000000 271.2368       186.7742 ?        ?        52.78920 17.63987 0.000000       17.63987 
1 1 1 -20 8  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 8  27 o 23.64601 11.26415 -137.1690      125.4706 -378.1016      231.2176 -36.60943      149.3773 28.29849 13.89385 30.43554 13.69602 -2.137045      19.50948 
1 1 1 -20 8  28 o 34.79762 13.67140 88.41954       118.8260 -22.34239      200.3516 148.5212       147.5845 35.06629 15.81308 40.92230 15.45266 -5.856010      22.10969 
1 1 1 -20 8  29 o 40.24787 13.71282 158.0881       112.8919 208.2101       182.0749 126.7855       143.8886 45.51972 17.16963 38.67919 15.08791 6.840534       22.85697 
1 1 1 -20 8  30 o 58.37014 11.54151 336.6348       110.9652 576.4548       168.7523 153.9472       147.2860 74.92532 13.69385 40.12235 15.36812 34.80297       20.58399 
1 1 1 -20 8  31 f 28.37222 12.02327 36.73440       100.9097 180.9980       156.0615 -66.91779      132.2838 41.28836 15.81824 26.03423 12.13905 15.25413       19.93924 
1 1 1 -20 8  32 o 45.79824 12.86068 227.8875       104.7167 193.6494       136.2623 277.2758       163.6563 41.33162 14.98259 47.35235 16.49427 -6.020729      22.28315 
1 1 1 -20 8  33 o 32.13146 12.15367 99.75737       91.39311 27.69817       128.5396 173.4305       129.9711 29.26254 12.96587 39.05254 14.55068 -9.789999      19.48939 
1 1 1 -20 8  34 o 43.13689 13.35781 219.4873       108.5067 372.9916       140.7347 -5.512078      170.3850 55.21040 14.67534 29.78820 13.85170 25.42220       20.18007 
1 1 1 -20 9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 9  5  o 41.63179 14.88998 133.9108       134.0581 -138.7202      588.6291 148.8253       137.6761 60.19823 27.12925 43.11886 15.12235 17.07937       31.05932 
1 1 1 -20 9  6  f 103.1727 13.35858 950.9439       229.8308 840.4466       599.9446 969.9491       248.8121 92.10143 31.60902 103.8468 14.41975 -11.74535      34.74276 
1 1 1 -20 9  7  o 76.22121 5.801077 501.8057       74.94002 541.1238       96.75070 442.8395       118.4840 78.92149 7.260293 70.71593 10.09843 8.205559       12.43745 
1 1 1 -20 9  8  o 143.9444 5.571665 1778.868       136.9562 1928.146       164.4943 1441.574       247.2622 149.7261 6.433563 127.9898 11.43343 21.73628       13.11923 
1 1 1 -20 9  9  o 128.5748 5.543777 1419.312       121.7205 1689.085       155.3123 989.8137       195.9690 140.1201 6.490875 105.9940 10.98645 34.12609       12.76062 
1 1 1 -20 9  10 o 30.56942 11.62288 58.86627       83.85774 28.67853       112.4009 96.76160       125.9353 31.33337 12.93964 37.90260 14.28338 -6.569225      19.27302 
1 1 1 -20 9  11 o 153.7608 6.832217 2036.329       179.3946 1951.636       197.8081 2428.751       425.7919 150.1524 7.740877 164.4502 15.33920 -14.29781      17.18174 
1 1 1 -20 9  12 o 34.40063 13.70905 58.04355       121.0689 204.4195       440.8937 46.10600       125.9090 62.38585 25.68049 34.03278 13.83284 28.35307       29.16908 
1 1 1 -20 9  13 o 124.9072 13.90730 1397.985       291.6052 1272.557       642.7154 1430.497       327.2233 109.2319 32.23959 125.6329 15.58727 -16.40101      35.80997 
1 1 1 -20 9  14 f 40.75727 19.68942 -567.9025      414.7415 -567.9025      414.7415 0.000000       0.000000 40.75727 19.68942 ?        ?        0.000000       19.68942 
1 1 1 -20 9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 9  18 o 165.8754 6.617624 2373.262       187.4502 2551.521       261.2696 2184.168       269.0929 171.0469 8.976177 157.8011 10.03814 13.24573       13.46611 
1 1 1 -20 9  19 o 36.50323 14.65564 65.42770       139.4472 35.53649       180.8094 109.3073       219.0686 38.45887 16.18451 45.41806 18.32178 -6.959194      24.44639 
1 1 1 -20 9  20 o 133.5441 8.930208 1561.186       202.4779 1413.639       259.0294 1792.958       324.6500 125.6995 12.22194 140.9238 13.66213 -15.22430      18.33111 
1 1 1 -20 9  21 o 71.39629 14.28932 475.4734       168.1362 246.4728       208.3000 903.6611       284.8314 52.89604 18.59815 97.24414 17.80858 -44.34810      25.74950 
1 1 1 -20 9  22 o 209.9515 7.091765 3828.475       254.2584 3523.180       343.6795 4197.600       377.9033 199.4329 10.12469 217.9103 10.15549 -18.47739      14.34027 
1 1 1 -20 9  23 o 136.9827 8.389732 1653.463       195.3071 1580.609       265.1229 1739.914       288.8063 131.8811 11.90054 138.0740 12.38028 -6.192917      17.17248 
1 1 1 -20 9  24 o 150.6153 7.758022 1997.603       198.8586 2037.295       282.8993 1958.834       279.5870 149.7331 11.14380 146.7288 11.24390 3.004303       15.83065 
1 1 1 -20 9  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 9  26 o 42.71019 15.04058 169.3706       136.2764 -358.8149      262.5315 364.1824       159.4394 31.20280 15.20936 59.91006 15.47537 -28.70727      21.69819 
1 1 1 -20 9  27 o 48.15124 14.37732 234.2024       127.2490 28.77911       225.9564 329.6097       153.9893 38.87799 17.21031 56.35119 15.51219 -17.47319      23.16944 
1 1 1 -20 9  28 o 78.90494 9.178856 574.4293       121.3675 575.9777       182.0947 573.1917       162.8004 74.89513 14.76261 76.15273 12.98468 -1.257607      19.66054 
1 1 1 -20 9  29 o 42.89410 14.06054 189.8222       118.8608 239.0486       163.6611 134.8753       172.9091 46.87899 16.48518 39.87497 16.20922 7.004025       23.11925 
1 1 1 -20 9  30 o 31.38359 12.73727 70.50465       106.5705 -196.0723      174.3092 229.6302       134.6725 26.00424 12.61076 45.53907 14.96845 -19.53483      19.57258 
1 1 1 -20 9  31 o 36.05772 13.02495 132.6876       102.8492 100.4107       159.3540 155.7323       134.6488 35.61098 15.10097 38.48468 14.70514 -2.873699      21.07796 
1 1 1 -20 9  32 o 41.10818 13.15771 187.5018       104.4543 119.8654       136.3673 283.5236       162.4820 35.39081 14.39160 47.28524 16.43701 -11.89443      21.84705 
1 1 1 -20 9  33 o 21.86488 10.08424 -32.13597      87.57392 -60.97309      121.8277 -1.303195      125.9727 24.23168 11.41029 27.15478 12.36160 -2.923101      16.82272 
1 1 1 -20 10 1  o 71.52744 7.116164 445.1481       85.76625 435.3786       96.32580 482.5222       188.4043 70.52522 8.148272 72.26453 15.71505 -1.739304      17.70190 
1 1 1 -20 10 2  o 162.3000 5.588075 2262.000       154.8755 2335.529       202.6484 2158.739       240.1499 164.6052 7.209377 157.6047 8.960011 7.000504       11.50030 
1 1 1 -20 10 3  o 149.2195 5.522586 1911.642       140.7246 1877.963       180.7844 1963.426       224.1712 147.6222 7.171458 150.3576 8.768822 -2.735397      11.32793 
1 1 1 -20 10 4  o 113.1338 5.914332 1102.598       113.8647 1226.723       140.2097 862.1746       195.1357 119.1601 6.920219 98.61609 11.82314 20.54404       13.69949 
1 1 1 -20 10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 14 o 166.6680 6.208259 2391.093       176.6948 2572.108       221.2154 2072.073       293.6746 172.5397 7.508000 153.3479 11.29416 19.19180       13.56201 
1 1 1 -20 10 15 o 108.1752 7.487573 1016.159       137.4647 1008.094       161.4516 1037.413       262.1026 107.3777 8.884762 106.8277 14.76210 0.5499573      17.22958 
1 1 1 -20 10 16 o 41.36003 13.50101 148.3539       109.6316 118.1159       124.3078 254.2080       232.5819 39.37622 14.30469 54.87635 19.61414 -15.50013      24.27630 
1 1 1 -20 10 17 o 55.09989 12.42831 278.8781       114.1551 366.0928       131.4936 12.03658       230.0044 63.25101 12.61643 41.52152 17.88658 21.72949       21.88844 
1 1 1 -20 10 18 o 42.69028 13.91723 159.7227       116.5095 149.9489       128.2536 205.8778       278.7069 42.31174 14.60936 53.83659 20.99910 -11.52484      25.58115 
1 1 1 -20 10 19 o 29.96169 12.73582 10.04842       113.8047 21.48465       124.2187 -49.70511      283.9406 31.90313 13.41964 42.94901 19.13698 -11.04588      23.37329 
1 1 1 -20 10 20 o 42.14679 14.10553 155.5757       119.4295 123.3304       141.1210 236.9535       224.1879 40.55596 15.15189 52.58195 19.19381 -12.02599      24.45367 
1 1 1 -20 10 21 f 118.7673 7.763557 1236.410       156.5897 1212.350       202.6809 1272.037       246.6356 116.4708 10.29653 118.1661 12.40777 -1.695251      16.12362 
1 1 1 -20 10 22 o 136.5994 7.133441 1632.800       165.8213 1395.784       220.4242 1941.816       251.6866 124.5315 10.46216 147.2749 10.06795 -22.74342      14.51966 
1 1 1 -20 10 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 24 o 22.17089 11.19788 -615.0318      202.9869 0.000000       0.000000 -615.0318      202.9869 ?        ?        22.17089 11.19788 0.000000       11.19788 
1 1 1 -20 10 25 o 93.13938 9.983854 794.8705       156.3185 552.0181       232.5431 995.0745       211.1390 71.40041 18.80976 102.6027 12.29548 -31.20229      22.47189 
1 1 1 -20 10 26 o 40.54681 14.37309 153.8235       124.6465 104.4473       222.3584 176.4489       150.5193 41.90528 17.80720 43.16158 15.73144 -1.256290      23.76078 
1 1 1 -20 10 27 o 32.64124 12.59274 82.10831       99.37848 22.63024       138.2030 145.7912       143.0047 31.72350 13.76476 40.08792 15.19335 -8.364424      20.50138 
1 1 1 -20 10 28 o 34.19367 13.74454 86.81741       122.8054 173.7704       176.3418 4.936025       171.1219 42.37333 16.65244 33.04602 14.78069 9.327312       22.26595 
1 1 1 -20 10 29 o 22.88723 10.56869 -48.76340      96.62782 100.0938       140.5052 -182.3434      133.1001 35.48336 14.53894 22.32805 10.87164 13.15531       18.15416 
1 1 1 -20 10 30 o 43.95952 13.00179 209.0395       104.4347 445.2086       158.6154 28.30976       138.7549 62.65180 15.02035 30.62690 13.52566 32.02490       20.21273 
1 1 1 -20 10 31 o 48.96885 12.62462 260.1172       106.2440 70.49129       164.0626 397.0737       139.4287 33.82095 14.82953 59.54946 13.95479 -25.72852      20.36298 
1 1 1 -20 10 32 o 65.73884 8.581475 418.8384       94.03706 479.8648       124.3238 337.2388       143.7605 67.87914 11.10992 52.06683 15.21358 15.81231       18.83835 
1 1 1 -20 11 1  o 53.73434 7.745110 254.8023       69.01660 300.5717       84.40645 162.4693       119.8855 58.21332 8.762462 43.21896 14.11878 14.99436       16.61688 
1 1 1 -20 11 2  o 60.44285 7.642835 320.6557       77.12326 376.6181       89.26274 155.8584       153.1783 65.46433 8.162095 44.38052 15.91185 21.08382       17.88314 
1 1 1 -20 11 3  o 57.95520 7.992676 295.7610       76.99712 243.9283       84.54379 547.8271       186.4391 52.12086 9.859945 77.28900 14.66238 -25.16814      17.66929 
1 1 1 -20 11 4  o 108.3937 5.664652 1012.292       104.4885 1079.925       133.4097 904.9691       168.0553 111.7006 7.029933 101.5367 9.814714 10.16396       12.07264 
1 1 1 -20 11 5  o 93.00259 6.356879 747.8231       100.3530 660.4328       123.1953 920.1747       173.0094 86.95431 8.401268 102.3360 10.02898 -15.38170      13.08288 
1 1 1 -20 11 6  o 139.0544 5.454294 1660.778       129.5165 1792.496       176.3029 1506.356       190.8942 144.1558 7.161850 131.6053 8.540249 12.55049       11.14576 
1 1 1 -20 11 7  o 184.0613 5.614057 2911.045       176.4579 3013.709       241.8573 2794.197       258.0249 186.7933 7.582215 179.6244 8.411907 7.168915       11.32476 
1 1 1 -20 11 8  o 160.4325 5.594569 2211.695       153.2713 2028.883       196.0687 2498.945       245.7742 153.2735 7.490994 169.8358 8.474324 -16.56236      11.31058 
1 1 1 -20 11 9  o 78.54716 8.130568 539.4589       107.4780 550.1210       113.7737 451.0392       327.6389 79.23209 8.544074 69.58841 23.36278 9.643684       24.87611 
1 1 1 -20 11 10 o 185.7788 6.319973 2971.786       200.4995 2843.014       236.7194 3298.677       377.1584 181.3580 7.643551 193.5730 11.46081 -12.21506      13.77585 
1 1 1 -20 11 11 o 41.20146 18.71992 -127.0918      287.1260 0.000000       0.000000 -127.0918      287.1260 ?        ?        41.20146 18.71992 0.000000       18.71992 
1 1 1 -20 11 12 o 98.33451 7.403543 840.1838       123.4097 861.2202       142.0195 775.3235       249.3743 99.30666 8.455161 91.36656 16.59437 7.940102       18.62425 
1 1 1 -20 11 13 o 35.68453 11.60210 109.0484       80.99120 89.96165       88.80142 203.4599       197.4998 34.09365 12.12672 50.08083 18.05557 -15.98717      21.74997 
1 1 1 -20 11 14 o 159.9086 6.051132 2202.146       165.2382 2209.049       211.0826 2191.222       265.5466 159.7254 7.738848 158.1006 9.885333 1.624802       12.55427 
1 1 1 -20 11 15 o 126.8397 6.276645 1387.136       135.9518 1274.095       169.6229 1590.200       227.3430 120.8641 8.268011 134.4754 9.971062 -13.61129      12.95307 
1 1 1 -20 11 16 o 221.2282 6.118454 4221.067       231.1448 4023.151       300.3520 4508.541       361.9836 215.1354 8.175545 227.1343 9.332635 -11.99887      12.40716 
1 1 1 -20 11 17 o 71.58365 9.439253 456.1272       112.5719 467.9914       126.7060 411.6717       245.2681 72.15538 10.59905 65.03068 20.07395 7.124702       22.70029 
1 1 1 -20 11 18 o 71.67300 9.672935 459.3658       115.3661 361.2748       126.3811 949.6406       282.5449 62.56998 12.26655 99.69686 17.21857 -37.12688      21.14113 
1 1 1 -20 11 19 o 96.79018 7.847685 823.1066       128.5937 754.5950       144.6768 1080.881       280.6318 92.11230 9.326241 106.8120 15.86786 -14.69965      18.40565 
1 1 1 -20 11 20 o 139.3611 6.319587 1686.354       150.3946 1577.684       185.8087 1892.794       256.0996 133.8234 8.169910 145.2803 10.39147 -11.45686      13.21855 
1 1 1 -20 11 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 11 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 11 23 o 38.63569 13.05482 136.0495       102.3095 130.5244       132.3892 144.2415       161.2040 39.47239 14.68970 41.93254 16.07397 -2.460152      21.77521 
1 1 1 -20 11 24 o 66.85550 9.740155 412.5793       107.9327 283.6572       143.1221 582.5809       164.3499 52.79314 15.10924 77.72166 12.83075 -24.92853      19.82214 
1 1 1 -20 11 25 o 43.56144 17.01347 169.9393       183.1336 0.000000       0.000000 169.9393       183.1336 ?        ?        43.56144 17.01347 0.000000       17.01347 
1 1 1 -20 11 26 o 35.72951 14.20850 96.79250       129.7981 -75.54150      294.5578 138.3191       144.5933 38.64392 18.05058 39.49475 15.20289 -0.8508339     23.59982 
1 1 1 -20 11 27 o 133.5857 6.416337 1585.916       146.3690 1506.664       192.1487 1695.475       225.9225 127.7145 8.865304 134.2451 9.925425 -6.530624      13.30818 
1 1 1 -20 11 28 o 37.34462 13.32892 140.0705       107.3694 78.59373       167.3652 183.0674       139.9679 35.52388 15.28039 41.41137 15.15838 -5.887489      21.52364 
1 1 1 -20 11 29 o 24.42217 11.30893 -48.57497      111.7792 3.782976       155.2913 -104.8699      161.0238 30.64441 13.86088 27.04348 12.84772 3.600927       18.89941 
1 1 1 -20 11 30 o 27.36134 11.90071 25.60865       103.8035 40.74544       168.8253 16.40783       131.6237 32.69252 14.64768 29.13260 13.00151 3.559917       19.58555 
1 1 1 -20 11 31 o 42.34742 13.84238 211.8225       115.2312 228.1675       161.9398 195.0585       164.0027 42.00216 16.10825 39.76681 15.91921 2.235355       22.64723 
1 1 1 -20 12 1  o 135.6166 5.748422 1586.149       133.1262 1437.242       166.3570 1851.321       221.9972 128.3971 7.621377 145.2136 8.996676 -16.81647      11.79091 
1 1 1 -20 12 2  o 121.2005 5.060141 1263.374       104.7295 1101.334       139.8709 1470.142       158.0004 112.4909 7.321158 130.0908 7.139587 -17.59993      10.22610 
1 1 1 -20 12 3  o 130.3811 5.187514 1461.931       115.4983 1446.872       162.0665 1477.472       164.6426 129.0322 7.385850 130.3810 7.425519 -1.348862      10.47326 
1 1 1 -20 12 4  o 113.4789 6.126676 1113.233       118.2850 1140.838       144.7103 1057.660       205.3263 114.5507 7.438016 109.0476 11.18451 5.503098       13.43196 
1 1 1 -20 12 5  o 138.7239 5.630112 1656.081       133.3737 1667.356       173.6667 1639.868       208.2448 138.6240 7.362683 136.9532 8.953582 1.670792       11.59205 
1 1 1 -20 12 6  o 50.16373 10.20654 227.8338       84.45699 256.6248       95.53616 124.8508       180.6848 53.14856 10.89226 43.73692 16.94999 9.411633       20.14804 
1 1 1 -20 12 7  o 123.9835 6.062109 1324.182       128.3481 1140.414       162.6036 1627.921       209.0472 114.3085 8.388671 136.4608 9.021778 -22.15228      12.31918 
1 1 1 -20 12 8  o 91.96339 6.557472 733.2103       102.3054 709.0560       122.8734 787.7946       184.7122 90.07533 8.073919 93.82847 11.78836 -3.753136      14.28823 
1 1 1 -20 12 9  o 169.4980 10.20635 2524.003       294.0403 0.000000       0.000000 2524.003       294.0403 ?        ?        169.4980 10.20635 0.000000       10.20635 
1 1 1 -20 12 10 o 196.6986 6.402619 3337.423       215.0606 3759.514       274.1943 2662.652       346.6841 208.2914 7.708774 173.2426 11.78875 35.04872       14.08545 
1 1 1 -20 12 11 o 19.11458 9.152946 -115.7761      85.15686 -13.91030      91.48322 -776.8109      233.0447 25.50375 11.13089 23.34644 11.81583 2.157307       16.23301 
1 1 1 -20 12 12 o 132.2652 6.286610 1509.645       141.9921 1606.120       166.3051 1250.150       272.7503 136.0251 7.185023 117.3007 13.88591 18.72431       15.63467 
1 1 1 -20 12 13 o 36.12360 11.15116 115.6685       75.68532 131.0656       83.09576 40.71048       183.3450 38.27859 11.66107 38.77521 16.30656 -0.4966164     20.04705 
1 1 1 -20 12 14 o 45.27808 11.82236 189.0219       92.39764 193.8035       102.1512 167.5086       216.6747 45.81283 12.64373 48.15655 18.58979 -2.343719      22.48209 
1 1 1 -20 12 15 o 45.33770 10.73796 189.0127       81.85381 199.2913       86.01405 90.40221       266.4190 46.51539 11.00116 46.91263 19.68890 -0.3972435     22.55390 
1 1 1 -20 12 16 o 92.94437 7.313865 755.9985       115.1460 768.7922       130.5691 711.2383       244.2241 93.41988 8.270094 85.64806 17.29391 7.771828       19.16960 
1 1 1 -20 12 17 o 66.18972 9.127494 392.8055       100.4232 452.4565       112.2696 154.0534       224.6090 70.98295 9.500323 47.04588 18.69642 23.93707       20.97170 
1 1 1 -20 12 18 o 194.1623 6.293823 3274.444       208.6803 3190.283       258.0009 3433.674       354.8774 190.7072 7.922318 195.4945 10.67055 -4.787384      13.28999 
1 1 1 -20 12 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 12 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 12 21 f 104.7076 6.793171 964.4564       120.8095 995.0065       143.3188 889.4600       224.5518 105.7705 7.993833 96.08624 14.10515 9.684227       16.21285 
1 1 1 -20 12 22 o 66.20425 9.048699 399.8756       99.62118 357.0229       124.5453 475.9941       165.9906 60.86036 12.40454 69.18674 14.51266 -8.326382      19.09162 
1 1 1 -20 12 23 o 29.25573 12.30059 30.23343       104.2907 128.3169       127.6464 -166.7021      180.8726 38.55000 14.40881 28.50102 13.56240 10.04897       19.78769 
1 1 1 -20 12 24 o 46.07296 15.92856 216.8337       152.4852 0.000000       0.000000 216.8337       152.4852 ?        ?        46.07296 15.92856 0.000000       15.92856 
1 1 1 -20 12 25 f 68.84108 14.01370 486.2719       159.1404 629.4171       305.0415 432.7428       186.5375 68.62888 22.52624 62.22602 17.04985 6.402863       28.25117 
1 1 1 -20 12 26 o 45.30391 14.74262 220.8526       130.7609 142.8752       291.9261 240.4246       146.2533 43.65898 19.43240 46.73347 15.60956 -3.074493      24.92542 
1 1 1 -20 12 27 o 42.96547 13.28174 197.2811       107.3270 201.4083       137.9300 190.9469       170.8737 42.74071 15.12291 42.03017 16.42893 0.7105370      22.32962 
1 1 1 -20 12 28 o 53.77876 11.52894 297.3607       102.6968 346.7208       146.6533 249.8648       143.8574 54.73527 15.16647 46.12947 15.48081 8.605793       21.67204 
1 1 1 -20 12 29 o 25.82304 11.44475 6.988305       100.2103 55.99316       154.7226 -28.42311      131.5242 32.51397 14.32474 26.94689 12.40269 5.567080       18.94796 
1 1 1 -20 12 30 o 37.75203 12.90740 160.3077       100.0234 59.11531       126.5469 328.7754       163.2811 30.47058 13.19629 49.54990 16.49125 -19.07932      21.12116 
1 1 1 -20 13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 13 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 13 4  o 95.86311 7.359866 803.8579       119.5627 920.1008       141.0339 506.8734       225.4276 102.3337 8.137759 71.64577 18.34578 30.68796       20.06964 
1 1 1 -20 13 5  o 124.4043 5.580140 1335.414       118.5447 1479.947       168.0911 1192.397       167.2075 130.1758 7.594549 116.4796 8.464128 13.69623       11.37183 
1 1 1 -20 13 6  o 43.52045 11.96805 174.9091       91.71653 125.3690       106.7266 314.8140       179.3539 38.57750 13.32661 57.29461 17.06019 -18.71711      21.64829 
1 1 1 -20 13 7  o 54.15809 18.74100 267.6348       211.1100 0.000000       0.000000 267.6348       211.1100 ?        ?        54.15809 18.74100 0.000000       18.74100 
1 1 1 -20 13 8  o 141.2518 5.293239 1719.319       127.6784 1910.840       180.0827 1525.734       181.0503 148.3667 7.107773 132.0345 8.068617 16.33221       10.75281 
1 1 1 -20 13 9  o 87.31266 7.217765 666.4770       106.6523 713.8013       130.3439 570.6055       185.5211 89.95480 8.589644 78.06305 14.44917 11.89175       16.80953 
1 1 1 -20 13 10 o 144.0446 5.466362 1789.635       134.4613 1799.469       185.9400 1778.855       194.6746 143.5734 7.611152 142.5707 8.028761 1.002762       11.06303 
1 1 1 -20 13 11 o 163.9954 6.245546 2327.897       174.9057 2499.563       217.2210 2011.400       294.9472 169.4241 7.508004 149.5679 11.63959 19.85622       13.85100 
1 1 1 -20 13 12 o 128.1851 6.492642 1428.212       141.6583 1332.044       162.6033 1731.032       288.5406 123.3151 7.761270 138.0914 12.36695 -14.77627      14.60064 
1 1 1 -20 13 13 o 58.59868 9.848958 311.4965       95.05916 385.5883       106.4568 19.99905       211.1571 65.34059 9.846572 39.46423 17.06878 25.87636       19.70529 
1 1 1 -20 13 14 o 56.94797 10.42904 297.1377       97.68264 312.1054       104.0910 186.6855       282.7635 58.24392 10.86519 51.33534 20.77810 6.908577       23.44743 
1 1 1 -20 13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 13 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 13 18 o 164.7870 6.015961 2363.331       169.2895 2328.254       203.1250 2443.109       306.3327 162.8293 7.305148 163.6302 11.02726 -0.8008728     13.22746 
1 1 1 -20 13 19 o 147.1917 5.784590 1886.027       145.3978 1977.390       186.2237 1743.366       232.7041 149.8805 7.275918 138.6915 9.890265 11.18904       12.27829 
1 1 1 -20 13 20 o 147.7905 5.896685 1906.708       148.8183 1894.921       184.1831 1928.873       252.5792 146.2498 7.398903 145.1770 10.25416 1.072800       12.64483 
1 1 1 -20 13 21 o 34.02586 12.38419 97.87267       93.23303 181.0753       118.1867 -39.21462      151.7045 43.05283 14.01615 30.29498 13.70162 12.75784       19.60068 
1 1 1 -20 13 22 o 87.64387 7.826770 691.5014       115.9078 792.6134       142.3292 492.4097       199.7189 93.07877 9.069731 67.35661 17.27909 25.72217       19.51479 
1 1 1 -20 13 23 o 61.60261 9.510590 355.3535       96.82644 293.2070       123.5231 454.3992       155.9399 53.57208 13.50588 66.57204 14.15296 -12.99997      19.56311 
1 1 1 -20 13 24 o 52.72391 14.62240 297.9839       136.2552 -131.8635      310.5622 400.4489       151.6280 37.19231 17.71836 61.31432 14.67681 -24.12201      23.00759 
1 1 1 -20 13 25 o 50.13492 15.88869 287.3267       152.6042 187.0068       300.4657 322.2006       177.1542 44.64485 19.80050 51.95842 17.17205 -7.313568      26.20953 
1 1 1 -20 13 26 o 23.56158 10.54842 -12.49284      87.37310 -79.43437      115.4917 77.09521       133.6067 23.61881 11.11803 33.24540 13.94736 -9.626589      17.83646 
1 1 1 -20 13 27 o 31.99578 12.05714 94.73282       89.73640 175.4476       120.5292 -5.653150      134.4164 39.99175 14.13827 28.50774 12.89493 11.48400       19.13557 
1 1 1 -20 13 28 o 31.81049 11.89016 97.98148       86.92280 90.81274       102.5768 116.2404       163.7065 31.78885 12.63431 35.79857 15.24727 -4.009722      19.80164 
1 1 1 -20 13 29 o 55.44197 9.989883 311.7804       91.10143 202.0526       108.0981 580.7576       169.2456 41.66741 13.39035 70.35916 14.56595 -28.69175      19.78556 
1 1 1 -20 14 1  o 78.43961 6.754134 540.4054       89.58833 520.2509       122.5315 563.5541       131.3185 75.86077 9.679231 78.86698 9.973476 -3.006210      13.89812 
1 1 1 -20 14 2  o 144.6302 5.424110 1810.207       133.9644 2030.596       202.8449 1639.721       178.4077 151.8927 7.847137 136.5393 7.682855 15.35338       10.98198 
1 1 1 -20 14 3  o 104.0037 5.772943 940.0062       102.1264 960.0898       144.9874 920.2292       143.8761 104.1932 8.215357 101.9429 8.337718 2.250336       11.70511 
1 1 1 -20 14 4  o 73.72668 7.239283 478.8276       89.96724 553.5466       107.6879 306.1599       163.7032 79.02993 8.093637 55.92623 16.20401 23.10370       18.11289 
1 1 1 -20 14 5  o 37.27843 16.12098 17.07595       188.3009 0.000000       0.000000 17.07595       188.3009 ?        ?        37.27843 16.12098 0.000000       16.12098 
1 1 1 -20 14 6  o 29.55692 11.61095 51.14120       85.69766 30.58932       100.9476 104.1692       162.1522 29.56946 12.24109 40.13651 15.90617 -10.56705      20.07114 
1 1 1 -20 14 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 14 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 14 12 o 109.9655 6.629164 1057.233       123.9031 1207.625       141.2936 556.6111       257.7894 117.3615 7.083286 72.77227 20.08627 44.58923       21.29862 
1 1 1 -20 14 13 o 118.6495 6.542881 1230.506       132.0550 1342.657       148.4685 805.7499       288.9368 123.7230 7.056436 87.95057 19.72448 35.77243       20.94871 
1 1 1 -20 14 14 o 153.5634 5.924431 2049.508       155.3590 2105.740       189.9691 1935.949       269.9615 155.0206 7.176154 145.8775 10.91620 9.143112       13.06371 
1 1 1 -20 14 15 o 29.33082 11.28601 57.80014       79.66050 39.67193       84.53616 201.4955       238.0052 28.17830 11.37647 48.96851 19.31362 -20.79021      22.41517 
1 1 1 -20 14 16 o 74.87821 7.448727 498.4936       93.98026 417.7915       106.5686 780.8307       199.3293 67.65476 9.484872 90.43040 13.30564 -22.77563      16.34022 
1 1 1 -20 14 17 o 116.8894 6.015523 1195.801       119.6674 1189.255       145.8079 1209.309       209.4533 115.8433 7.409505 114.4948 10.84186 1.348488       13.13190 
1 1 1 -20 14 18 o 63.66092 7.543831 363.5823       80.41458 374.3672       88.06773 309.4954       197.2215 64.33602 8.202689 54.06073 18.12620 10.27530       19.89581 
1 1 1 -20 14 19 o 99.43195 6.212784 870.7249       104.9620 952.8178       128.0373 702.5082       183.2812 103.4435 7.294969 85.02185 13.03979 18.42160       14.94164 
1 1 1 -20 14 20 o 83.88399 6.893456 626.8018       97.87212 582.4681       119.8854 715.3937       169.4714 79.72404 8.961194 86.42630 11.79046 -6.702263      14.80939 
1 1 1 -20 14 21 o 30.02768 11.97069 59.54129       92.34214 59.92280       108.1087 58.51192       177.5777 31.40099 12.79661 36.37921 15.69376 -4.978222      20.24962 
1 1 1 -20 14 22 o 37.93052 12.58838 141.9386       95.16571 341.7293       124.7528 -136.1432      147.1800 57.86189 12.94898 25.49512 12.16010 32.36676       17.76357 
1 1 1 -20 14 23 o 58.34152 14.04509 363.7993       138.2466 304.8152       318.8696 377.4529       153.4150 49.39835 21.16547 58.38332 15.22873 -8.984974      26.07473 
1 1 1 -20 14 24 o 48.05281 14.70287 258.5672       131.9082 -78.50964      307.1037 334.8230       146.0687 36.86721 17.57891 54.36666 15.16186 -17.49945      23.21422 
1 1 1 -20 14 25 o 41.08389 12.53044 179.1315       95.90658 300.3079       116.1414 -80.63405      170.0469 52.97696 12.94750 28.62049 13.47802 24.35647       18.68943 
1 1 1 -20 14 26 o 65.05405 9.210999 410.3738       99.46575 428.3243       121.2152 373.3732       174.0299 64.53249 11.41735 53.97337 16.95035 10.55912       20.43698 
1 1 1 -20 14 27 o 32.81811 11.47693 110.7340       79.27267 211.2617       97.96703 -79.92677      134.9173 43.60273 12.50696 24.94886 11.82570 18.65386       17.21252 
1 1 1 -20 15 1  o 40.33558 11.00760 153.8672       77.93491 143.9720       99.86763 169.2792       124.6355 39.37270 12.88741 42.50981 14.40878 -3.137108      19.33127 
1 1 1 -20 15 2  o 52.65226 9.957753 256.9544       86.25259 180.9772       126.5521 322.8637       117.8694 43.73824 14.51661 58.15336 12.25576 -14.41513      18.99831 
1 1 1 -20 15 3  o 63.76548 18.48517 427.6805       212.9883 0.000000       0.000000 427.6805       212.9883 ?        ?        63.76548 18.48517 0.000000       18.48517 
1 1 1 -20 15 4  o 55.66322 9.321874 283.4846       85.47494 235.1625       107.0488 368.4830       141.9759 49.44716 12.63178 61.52681 13.84723 -12.07965      18.74320 
1 1 1 -20 15 5  o 79.10665 6.083699 548.0540       81.55307 497.7240       105.8461 621.5828       127.9353 74.49018 8.471663 83.01035 9.178771 -8.520172      12.49075 
1 1 1 -20 15 6  o 106.4415 5.216244 981.5341       94.81367 991.6719       131.5546 970.5762       136.7710 106.0262 7.310599 104.7031 7.703597 1.323074       10.62028 
1 1 1 -20 15 7  o 37.28994 11.30741 128.8056       78.26394 230.3238       94.21022 -97.28571      140.5944 49.35485 11.40675 27.11658 12.60047 22.23828       16.99664 
1 1 1 -20 15 8  o 45.71666 9.579929 193.5029       72.39597 149.1625       81.89513 352.0658       154.8671 39.84431 11.43693 59.51527 15.18768 -19.67095      19.01234 
1 1 1 -20 15 9  o 78.72864 7.508514 550.0305       99.72236 640.2125       116.5887 304.2180       192.4859 84.70913 8.160769 54.70002 17.89113 30.00911       19.66445 
1 1 1 -20 15 10 o 51.04232 9.112071 238.7924       76.50982 243.3540       84.55692 218.1905       179.6982 51.19975 10.02996 48.04835 17.23352 3.151402       19.93977 
1 1 1 -20 15 11 o 53.96594 9.663627 268.6199       85.78535 276.1364       97.52174 242.9084       180.3672 54.22808 10.90905 49.78806 17.31743 4.440025       20.46706 
1 1 1 -20 15 12 o 66.77340 7.614244 398.3107       85.26985 438.8877       93.96909 209.0954       202.9194 69.97170 8.008541 47.81176 18.10374 22.15994       19.79602 
1 1 1 -20 15 13 o 82.96554 7.167161 610.4783       100.5453 635.6750       115.5792 532.0828       203.8700 84.22832 8.136953 71.68715 16.92494 12.54118       18.77934 
1 1 1 -20 15 14 o 71.82881 7.260163 459.6843       87.83013 450.2410       94.88066 516.2330       232.1819 70.77398 7.990491 68.64478 19.10563 2.129204       20.70925 
1 1 1 -20 15 15 o 112.9458 6.325433 1122.033       121.5101 1103.985       141.5001 1172.718       237.1247 111.3856 7.482630 110.7249 12.77536 0.6607285      14.80539 
1 1 1 -20 15 16 o 55.39394 8.794400 282.1073       80.40994 268.3769       93.32596 321.6699       158.4175 53.16926 10.65000 55.49167 15.90049 -2.322411      19.13761 
1 1 1 -20 15 17 o 42.40871 10.37400 172.2735       74.50926 204.4292       85.27743 68.52158       153.1804 46.00154 11.00368 35.71532 14.95617 10.28622       18.56793 
1 1 1 -20 15 18 o 72.84196 6.999152 475.4434       85.99019 425.3746       101.4809 602.9290       161.9313 67.85411 8.978540 78.42893 12.51114 -10.57482      15.39944 
1 1 1 -20 15 19 o 38.09870 10.83128 141.6535       73.80261 136.8211       81.07716 165.0152       178.2666 37.41815 11.54001 42.11112 16.68127 -4.692974      20.28390 
1 1 1 -20 15 20 o 42.11193 9.410526 170.3877       65.97020 200.2942       71.02618 -17.52021      178.0364 45.74615 9.406214 32.41883 14.73388 13.32731       17.48039 
1 1 1 -20 15 21 o 59.86695 7.827535 331.0468       78.10666 364.9623       91.11004 237.0150       151.7066 62.30252 8.809284 45.98970 15.88852 16.31282       18.16724 
1 1 1 -20 15 22 o 46.68232 9.142506 209.8167       70.27415 152.5324       80.35802 396.0607       144.8947 38.72490 11.39128 60.26917 14.29474 -21.54427      18.27843 
1 1 1 -20 15 23 o 29.54320 12.96036 25.00132       125.4499 -221.3461      312.7859 72.22498       136.9471 33.90766 16.54396 33.07954 14.01170 0.8281250      21.68019 
1 1 1 -20 15 24 o 46.97625 14.67738 256.8376       130.6737 152.8856       310.8727 279.1467       144.0146 41.36016 19.04823 48.24974 15.45036 -6.889584      24.52649 
1 1 1 -20 15 25 o 42.75491 9.641347 183.8866       68.71308 191.3821       75.26833 146.3903       168.3465 43.16454 10.34609 37.43991 15.67879 5.724625       18.78473 
1 1 1 -20 16 1  o 54.35610 18.28210 326.0414       200.6349 0.000000       0.000000 326.0414       200.6349 ?        ?        54.35610 18.28210 0.000000       18.28210 
1 1 1 -20 16 2  o 48.33340 9.723637 219.8533       77.47601 189.6033       99.68273 266.0077       123.1300 43.86338 12.62599 51.33455 13.76399 -7.471169      18.67787 
1 1 1 -20 16 3  o 122.3796 5.246835 1304.308       109.6500 1393.712       158.3986 1222.047       151.9399 125.0722 7.450091 116.9592 7.649525 8.112991       10.67797 
1 1 1 -20 16 4  o 90.02905 6.350083 715.0352       96.99979 707.5097       140.4162 721.9044       134.1548 87.84129 9.512864 89.09170 8.938461 -1.250412      13.05338 
1 1 1 -20 16 5  o 134.9642 5.522304 1588.321       127.2743 1514.281       172.0260 1677.864       189.1806 130.2601 7.768932 136.8569 8.131383 -6.596817      11.24614 
1 1 1 -20 16 6  o 66.54945 7.818498 398.6643       87.15945 359.5486       109.3662 466.7531       144.2930 61.78673 10.75616 69.45836 12.63046 -7.671631      16.58986 
1 1 1 -20 16 7  o 66.37993 7.658512 395.8109       85.21982 376.1222       106.1563 431.4978       142.9192 63.55800 10.12013 66.47535 13.05593 -2.917351      16.51891 
1 1 1 -20 16 8  o 20.79550 9.056223 -4.832360      60.26373 -16.43551      67.01038 44.24255       137.8110 21.02823 9.337357 33.39437 14.09547 -12.36615      16.90765 
1 1 1 -20 16 9  o 54.70822 8.667108 274.3508       78.27204 239.9322       97.27261 337.5705       131.8318 49.83659 11.64036 58.32121 13.50333 -8.484615      17.82801 
1 1 1 -20 16 10 o 59.91067 8.678269 328.3307       86.19947 369.7330       100.5554 213.5863       167.4013 63.18299 9.623723 46.47361 16.63716 16.70938       19.22007 
1 1 1 -20 16 11 o 36.02444 10.68819 122.8111       70.49075 123.1749       73.28381 118.3088       257.7853 36.09277 10.94115 44.14888 18.97646 -8.056110      21.90467 
1 1 1 -20 16 12 o 34.36274 11.29385 109.2094       76.66776 101.0629       84.76951 145.8208       179.7054 33.76169 11.86472 41.91590 16.70270 -8.154209      20.48785 
1 1 1 -20 16 13 o 65.22174 8.398200 388.6748       91.36333 449.9799       101.1226 116.2650       213.1628 70.11975 8.627094 41.59056 17.54140 28.52919       19.54808 
1 1 1 -20 16 14 o 36.20794 10.86523 125.7387       72.53993 109.9932       82.98739 176.7298       149.3416 34.49696 11.75711 42.59806 15.64788 -8.101093      19.57258 
1 1 1 -20 16 15 o 39.13311 9.722885 146.7912       64.68612 177.4418       71.93176 17.22975       147.8902 42.96976 9.991963 32.07765 14.07204 10.89212       17.25867 
1 1 1 -20 16 16 o 101.4937 6.064491 913.0609       104.6270 1003.096       129.9411 747.0760       176.4310 105.5774 7.251280 87.11768 12.19363 18.45968       14.18681 
1 1 1 -20 16 17 o 147.1419 5.723467 1909.985       143.8128 2108.446       187.1589 1623.877       224.7178 153.2204 7.153065 130.9992 10.12397 22.22115       12.39601 
1 1 1 -20 16 18 o 104.4225 5.885575 968.4673       104.5227 934.0455       128.8203 1034.795       178.8200 101.3396 7.497151 104.0838 10.19152 -2.744247      12.65205 
1 1 1 -20 16 19 o 39.12494 10.29998 151.6856       69.75964 157.8217       79.69585 131.5776       144.2692 39.52919 11.26150 37.73884 14.98843 1.790348       18.74765 
1 1 1 -20 16 20 o 61.18484 7.570842 345.5925       77.41401 355.4063       90.38667 318.5743       149.9728 61.21584 8.907717 52.62695 15.58444 8.588890       17.95055 
1 1 1 -20 16 21 o 17.83721 8.221468 -33.68404      58.07230 -48.74671      64.44409 31.38647       133.9443 18.02961 8.428763 30.46710 13.37817 -12.43749      15.81200 
1 1 1 -20 16 22 o 76.56950 6.495171 533.7119       84.12659 507.0015       100.2238 597.4138       154.7773 73.35512 8.138041 75.33488 12.46724 -1.979767      14.88825 
1 1 1 -20 16 23 o 46.97242 8.868460 215.8031       68.52898 286.4991       78.54602 -9.550620      140.2359 54.35584 8.759772 28.32001 12.95025 26.03583       15.63466 
1 1 1 -20 17 1  o 45.18706 11.02580 200.4511       84.32733 190.8952       118.6202 210.2151       119.9039 43.16412 14.04131 45.05450 14.05669 -1.890373      19.86829 
1 1 1 -20 17 2  o 85.18712 6.168566 643.6119       89.12716 552.0587       122.4958 746.6014       129.9214 76.91426 9.530476 90.30497 8.525833 -13.39071      12.78749 
1 1 1 -20 17 3  o 79.12814 6.859704 560.4589       91.77407 581.7675       117.8935 527.6871       146.2050 79.45760 8.838431 73.40912 12.08354 6.048485       14.97096 
1 1 1 -20 17 4  o 70.42601 8.006753 452.1899       94.58062 539.1403       126.9939 343.8886       141.7306 75.64768 10.08171 57.34618 14.47240 18.30150       17.63778 
1 1 1 -20 17 5  o 32.18503 11.66705 90.02673       82.62759 207.4424       106.8022 -85.02569      130.4071 45.18797 13.08706 25.70189 12.00704 19.48608       17.76063 
1 1 1 -20 17 6  o 41.74743 10.94365 170.4805       78.96933 186.4861       92.08630 125.9953       153.5211 43.26159 12.02912 38.83773 15.44997 4.423866       19.58064 
1 1 1 -20 17 7  o 32.25470 11.21193 94.02995       75.59956 82.90974       86.18255 131.1503       157.4596 31.66225 11.83850 39.33205 15.64681 -7.669794      19.62072 
1 1 1 -20 17 8  o 51.41469 8.902618 247.2176       75.33332 290.8405       85.18297 90.63297       161.3876 55.65828 9.289776 36.98251 15.40753 18.67576       17.99144 
1 1 1 -20 17 9  o 88.02755 6.212851 688.0078       92.79276 734.8442       112.9825 590.9375       162.6534 90.28260 7.393161 77.00975 12.81910 13.27285       14.79825 
1 1 1 -20 17 10 o 44.70122 10.24132 193.4807       76.49934 219.1113       91.51361 134.0204       139.3862 47.00484 11.49618 38.60904 14.90844 8.395798       18.82614 
1 1 1 -20 17 11 o 91.45551 6.093144 742.4026       94.61506 724.2262       121.5344 770.3675       150.7475 89.06282 8.078910 90.43468 9.924557 -1.371857      12.79709 
1 1 1 -20 17 12 o 65.11639 7.444362 385.8318       81.29126 408.0990       100.0755 342.6401       139.3785 66.01838 9.120468 56.84004 14.35573 9.178341       17.00793 
1 1 1 -20 17 13 o 38.13634 11.79029 144.8823       84.57339 144.8823       84.57339 0.000000       0.000000 38.13634 11.79029 ?        ?        0.000000       11.79029 
1 1 1 -20 17 14 o 26.71620 11.22643 29.79555       86.79096 82.79395       109.3531 -60.41489      142.6685 32.77070 13.03851 27.59901 12.77869 5.171690       18.25644 
1 1 1 -20 17 15 o 36.44784 12.14001 131.7278       88.47819 304.1617       112.1600 -152.3693      143.9660 54.53095 12.33342 24.43880 11.75422 30.09214       17.03746 
1 1 1 -20 17 16 o 29.18416 11.52274 63.07528       84.80099 60.18950       106.9171 67.96960       139.2394 30.66467 12.63724 33.42134 14.14092 -2.756666      18.96485 
1 1 1 -20 17 17 o 20.76228 9.599882 -45.08306      80.10711 10.22090       99.86771 -144.8730      134.1499 26.47476 11.59019 23.44839 11.29510 3.026377       16.18369 
1 1 1 -20 17 18 o 24.56986 10.75572 6.574533       85.99525 19.27407       99.99150 -29.50352      168.5353 26.89645 11.68929 30.32156 13.98626 -3.425112      18.22786 
1 1 1 -20 17 19 o 24.16442 10.45358 13.89539       79.23370 18.64269       97.28785 4.543656       136.5467 26.40793 11.50333 29.06536 13.08560 -2.657427      17.42296 
1 1 1 -20 17 20 o 35.13114 11.94175 128.4122       85.61223 101.5134       99.79086 203.4111       166.6292 32.73249 12.62140 41.35701 16.20759 -8.624512      20.54229 
1 1 1 -20 18 2  o 55.75398 10.18676 301.5236       93.41312 225.6991       113.1402 463.9025       165.5683 46.16129 13.49889 65.12249 15.17023 -18.96120      20.30655 
1 1 1 -20 18 3  o 45.71445 10.39206 205.7229       79.28770 152.7600       99.37036 298.5209       131.5349 38.75637 12.86351 52.52233 14.28665 -13.76596      19.22442 
1 1 1 -20 18 4  o 22.96377 10.16473 -7.752211      78.80630 75.30923       105.8974 -110.8427      117.9763 31.84976 12.77710 22.94847 10.92930 8.901299       16.81380 
1 1 1 -20 18 5  o 22.16352 9.923097 -16.82479      77.33298 -60.89093      103.4284 39.04342       116.4581 23.23482 10.80027 30.10407 12.84190 -6.869251      16.77976 
1 1 1 -20 18 6  o 28.16288 11.38851 50.35577       84.86234 43.61008       105.0436 63.03138       143.9928 29.44884 12.36142 33.62629 14.31039 -4.177448      18.91010 
1 1 1 -20 18 7  o 21.91079 9.996657 -34.09216      82.96605 -50.29469      98.88783 4.426341       152.4706 23.17679 10.69860 31.19069 13.95131 -8.013905      17.58122 
1 1 1 -20 18 8  o 54.92408 9.779583 290.3190       88.36212 386.1780       113.3769 142.0064       141.0254 62.65306 10.99813 38.58348 14.96856 24.06958       18.57463 
1 1 1 -20 18 9  o 80.53376 6.375422 581.7800       86.96095 716.5662       117.6442 419.4214       129.1177 88.34151 7.881134 64.34836 12.19662 23.99315       14.52136 
1 1 1 -20 18 10 o 44.96154 9.876037 197.4019       73.75396 209.2472       92.67591 176.9414       121.8018 45.20422 11.85811 40.98301 14.23222 4.221210       18.52487 
1 1 1 -20 18 11 o 22.35156 9.352247 18.49837       59.82596 -9.396246      66.24036 141.9634       139.3588 20.97492 9.300054 38.25610 14.86916 -17.28119      17.53804 
1 1 1 -20 18 12 o 31.86628 10.76137 97.21729       69.51953 108.3743       80.28338 63.77688       138.9916 33.45368 11.55826 32.96058 14.04415 0.4930992      18.18877 
1 1 1 -20 18 13 o 96.70638 6.242363 840.0909       102.5371 882.5026       134.8994 782.0601       157.7964 97.43361 8.183528 89.37190 10.54228 8.061707       13.34578 
1 1 1 -20 18 14 o 64.70083 8.150594 392.5457       88.05518 443.1174       108.7144 296.0860       150.1434 67.60596 9.694171 50.02727 15.74956 17.57869       18.49393 
1 1 1 -20 18 15 o 89.29832 8.811874 756.7246       132.6213 756.7246       132.6213 0.000000       0.000000 89.29832 8.811874 ?        ?        0.000000       8.811874 
1 1 1 -20 18 16 o 25.87834 10.85686 33.72810       80.95886 36.25245       91.65710 24.76857       172.6768 27.09444 11.46901 32.42029 14.64451 -5.325851      18.60107 
1 1 1 -19 0  1  o 282.2718 8.380670 6843.408       403.1632 6843.408       403.1632 6843.408       403.1632 282.2718 8.380670 282.2718 8.380670 -0.000000      0.000000 
1 1 1 -19 0  2  o 218.1365 7.897822 4089.898       293.3217 4089.898       293.3217 4089.898       293.3217 218.1365 7.897822 218.1365 7.897822 -0.000000      0.000000 
1 1 1 -19 0  3  o 379.1373 10.59605 12359.21       684.8168 12359.21       684.8168 12359.21       684.8168 379.1373 10.59605 379.1373 10.59605 0.000000       0.000000 
1 1 1 -19 0  4  o 356.9707 9.984176 10948.52       607.5439 10948.52       607.5439 10948.52       607.5439 356.9707 9.984176 356.9707 9.984176 -0.000000      0.000000 
1 1 1 -19 0  5  o 138.4588 8.337416 1658.850       195.4936 1658.850       195.4936 1658.850       195.4936 138.4588 8.337416 138.4588 8.337416 -0.000000      0.000000 
1 1 1 -19 0  6  o 69.81284 20.62796 516.4893       213.8225 516.4893       213.8225 516.4893       213.8225 69.81284 20.62796 69.81284 20.62796 0.000000       0.000000 
1 1 1 -19 0  7  o 146.7901 23.32247 2004.826       540.4186 2004.826       540.4186 2004.826       540.4186 146.7901 23.32247 146.7901 23.32247 -0.000000      0.000000 
1 1 1 -19 0  8  o 375.3062 38.65778 13027.00       2417.346 13027.00       2417.346 13027.00       2417.346 375.3062 38.65778 375.3062 38.65778 -0.000000      0.000000 
1 1 1 -19 0  9  o 137.3756 23.17527 1769.283       497.2050 1769.283       497.2050 1769.283       497.2050 137.3756 23.17527 137.3756 23.17527 0.000000       0.000000 
1 1 1 -19 0  10 o 197.1413 25.41238 3554.384       816.4207 3554.384       816.4207 3554.384       816.4207 197.1413 25.41238 197.1413 25.41238 0.000000       0.000000 
1 1 1 -19 0  11 o 155.1461 23.54881 2231.607       581.3116 2231.607       581.3116 2231.607       581.3116 155.1461 23.54881 155.1461 23.54881 -0.000000      0.000000 
1 1 1 -19 0  12 o 37.47142 21.70071 152.1564       226.1483 152.1564       226.1483 152.1564       226.1483 37.47142 21.70071 37.47142 21.70071 -0.000000      0.000000 
1 1 1 -19 0  13 o 36.00418 20.85141 140.4077       208.7997 140.4077       208.7997 140.4077       208.7997 36.00418 20.85141 36.00418 20.85141 0.000000       0.000000 
1 1 1 -19 0  14 o 43.12738 23.30615 232.5145       239.4176 232.5145       239.4176 232.5145       239.4176 43.12738 23.30615 43.12738 23.30615 -0.000000      0.000000 
1 1 1 -19 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  17 o 209.5205 25.91886 4065.905       889.2202 4065.905       889.2202 4065.905       889.2202 209.5205 25.91886 209.5205 25.91886 -0.000000      0.000000 
1 1 1 -19 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  19 f 133.6384 10.94219 1568.780       245.8594 1568.780       245.8594 1568.780       245.8594 133.6384 10.94219 133.6384 10.94219 -0.000000      0.000000 
1 1 1 -19 0  20 o 114.7622 11.11163 1167.118       213.0726 1167.118       213.0726 1167.118       213.0726 114.7622 11.11163 114.7622 11.11163 -0.000000      0.000000 
1 1 1 -19 0  21 o 121.5269 11.31456 1307.807       230.1293 1307.807       230.1293 1307.807       230.1293 121.5269 11.31456 121.5269 11.31456 -0.000000      0.000000 
1 1 1 -19 0  22 o 165.0622 10.19537 2376.754       284.8650 2376.754       284.8650 2376.754       284.8650 165.0622 10.19537 165.0622 10.19537 0.000000       0.000000 
1 1 1 -19 0  23 o 164.6583 9.706103 2362.513       270.7460 2362.513       270.7460 2362.513       270.7460 164.6583 9.706103 164.6583 9.706103 -0.000000      0.000000 
1 1 1 -19 0  24 o 47.63203 23.76996 303.9049       235.3645 303.9049       235.3645 303.9049       235.3645 47.63203 23.76996 47.63203 23.76996 0.000000       0.000000 
1 1 1 -19 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  26 o 148.7480 13.37456 1977.727       333.4127 1977.727       333.4127 1977.727       333.4127 148.7480 13.37456 148.7480 13.37456 -0.000000      0.000000 
1 1 1 -19 0  27 o 79.52834 17.18731 627.6505       204.7275 627.6505       204.7275 627.6505       204.7275 79.52834 17.18731 79.52834 17.18731 0.000000       0.000000 
1 1 1 -19 0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  29 o 187.4358 8.807506 3070.893       280.4897 3070.893       280.4897 3070.893       280.4897 187.4358 8.807506 187.4358 8.807506 -0.000000      0.000000 
1 1 1 -19 0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  31 o 78.33266 17.80255 639.1404       207.5873 639.1404       207.5873 639.1404       207.5873 78.33266 17.80255 78.33266 17.80255 0.000000       0.000000 
1 1 1 -19 0  32 o 30.94105 18.56684 117.2752       176.1877 117.2752       176.1877 117.2752       176.1877 30.94105 18.56684 30.94105 18.56684 0.000000       0.000000 
1 1 1 -19 0  33 o 69.49359 16.32717 512.7979       168.3424 512.7979       168.3424 512.7979       168.3424 69.49359 16.32717 69.49359 16.32717 -0.000000      0.000000 
1 1 1 -19 0  34 o 19.60185 13.31336 -44.42812      134.5546 -44.42812      134.5546 -44.42812      134.5546 19.60185 13.31336 19.60185 13.31336 -0.000000      0.000000 
1 1 1 -19 0  35 o 58.45179 19.45315 434.4655       172.9247 434.4655       172.9247 434.4655       172.9247 58.45179 19.45315 58.45179 19.45315 0.000000       0.000000 
1 1 1 -19 0  36 o 49.13385 22.31172 392.2686       202.3993 392.2686       202.3993 392.2686       202.3993 49.13385 22.31172 49.13385 22.31172 0.000000       0.000000 
1 1 1 -19 0  37 o 106.5761 10.76261 1097.718       191.2952 1097.718       191.2952 1097.718       191.2952 106.5761 10.76261 106.5761 10.76261 0.000000       0.000000 
1 1 1 -19 1  1  o 81.09484 5.626170 565.8813       77.43073 592.4805       108.5183 538.2938       110.5162 82.70540 7.774908 78.70722 8.350139 3.998177       11.40938 
1 1 1 -19 1  2  o 183.8595 5.297237 2893.557       166.3173 2865.547       225.6624 2926.866       246.0778 182.7703 7.230224 184.6446 7.804299 -1.874329      10.63876 
1 1 1 -19 1  3  o 202.4713 5.550911 3509.341       191.9241 3290.017       259.3602 3774.803       285.3394 195.8007 7.756881 209.7016 7.968157 -13.90094      11.12029 
1 1 1 -19 1  4  o 174.7246 6.410664 2615.238       191.2753 2656.585       211.6741 2431.203       446.5798 176.0406 7.041304 166.3453 15.91549 9.695221       17.40353 
1 1 1 -19 1  5  o 332.1051 8.085594 9464.675       458.5528 9693.927       500.6307 8270.313       1142.691 335.9644 8.726142 304.8297 22.10194 31.13470       23.76218 
1 1 1 -19 1  6  o 285.2496 8.326104 6983.555       405.5728 7055.492       445.7907 6637.969       977.0864 286.5689 9.109614 273.5695 21.07763 12.99939       22.96196 
1 1 1 -19 1  7  f 141.2463 12.29233 1735.023       293.5359 1774.158       506.3750 1715.218       360.2360 140.2069 21.86265 139.7265 15.35054 0.4803772      26.71356 
1 1 1 -19 1  8  o 85.04219 14.64616 644.2470       205.0210 639.6526       291.0988 648.7692       288.8018 83.64629 20.53164 84.26374 20.30902 -0.6174545     28.87913 
1 1 1 -19 1  9  o 101.4919 15.04010 912.7034       252.7762 997.2604       357.0760 827.7633       357.8843 104.7142 20.70253 94.87315 22.44149 9.841095       30.53220 
1 1 1 -19 1  10 o 442.5349 30.64190 17997.15       2301.358 18933.63       3254.523 17060.56       3254.700 437.9391 44.11917 411.7971 47.13230 26.14194       64.55971 
1 1 1 -19 1  11 o 306.1202 22.22811 8357.787       1154.048 8334.144       1629.748 8381.567       1634.403 298.6815 32.47627 299.5394 32.47239 -0.8578491     45.92563 
1 1 1 -19 1  12 f 346.3523 24.64577 10817.78       1448.169 11211.17       2047.630 10424.09       2048.411 343.2058 35.44837 329.3112 37.07038 13.89459       51.29132 
1 1 1 -19 1  13 o 240.9846 19.06868 5152.035       778.3058 5468.818       1096.450 4830.302       1104.981 244.0464 26.74784 227.7985 29.06809 16.24788       39.50190 
1 1 1 -19 1  14 o 215.6839 26.04121 4285.879       939.7254 4285.879       939.7254 0.000000       0.000000 215.6839 26.04121 ?        ?        0.000000       26.04121 
1 1 1 -19 1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 1  16 o 203.8226 25.02168 3853.383       852.6143 0.000000       0.000000 3853.383       852.6143 ?        ?        203.8226 25.02168 0.000000       25.02168 
1 1 1 -19 1  17 o 143.2854 21.36474 1889.246       506.7786 0.000000       0.000000 1889.246       506.7786 ?        ?        143.2854 21.36474 0.000000       21.36474 
1 1 1 -19 1  18 o 298.2436 9.634979 7694.148       490.7087 7738.986       1518.597 7688.921       518.5258 280.0751 32.34656 297.9132 10.19245 -17.83813      33.91439 
1 1 1 -19 1  19 o 85.42836 9.631513 639.6336       138.0550 487.4231       251.6938 705.1331       165.1084 72.20357 19.81374 89.40289 11.04994 -17.19933      22.68668 
1 1 1 -19 1  20 o 249.7063 6.401538 5361.298       272.9706 5418.015       390.4884 5307.095       381.7377 250.1187 9.142398 247.5883 9.028861 2.530350       12.84927 
1 1 1 -19 1  21 o 60.58233 11.39154 330.7112       113.5243 433.6229       162.3649 232.2814       158.7899 68.79971 14.28709 51.10159 16.20884 17.69813       21.60665 
1 1 1 -19 1  22 o 203.5489 6.579698 3568.623       228.7056 3745.961       336.7029 3416.715       311.6276 207.5694 9.499081 198.3478 9.200396 9.221573       13.22421 
1 1 1 -19 1  23 o 188.5583 6.048422 3060.218       194.7554 3219.657       302.9592 2947.925       254.2507 192.3911 9.221408 184.4913 8.070200 7.899765       12.25408 
1 1 1 -19 1  24 o 38.51824 14.79109 96.13620       136.6478 72.74178       183.9915 124.9128       204.0615 40.85275 16.67646 45.37083 17.88701 -4.518089      24.45504 
1 1 1 -19 1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 1  26 o 107.7994 15.90450 1076.640       283.9831 0.000000       0.000000 1076.640       283.9831 ?        ?        107.7994 15.90450 0.000000       15.90450 
1 1 1 -19 1  27 o 185.7364 7.050627 2988.436       223.6282 3173.644       352.6139 2863.822       289.2363 189.2099 10.96018 180.5872 9.411740 8.622696       14.44668 
1 1 1 -19 1  28 o 55.54658 13.28067 290.2144       124.2681 576.1555       176.4308 8.697481       175.0606 78.66704 13.62711 36.03683 15.56401 42.63020       20.68663 
1 1 1 -19 1  29 o 45.94029 17.49405 171.2898       190.1589 171.2898       190.1589 0.000000       0.000000 45.94029 17.49405 ?        ?        0.000000       17.49405 
1 1 1 -19 1  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 1  31 o 123.5120 7.276838 1351.756       152.8026 1312.666       227.4709 1383.899       206.2720 118.6790 11.36297 123.1113 9.895209 -4.432312      15.06759 
1 1 1 -19 1  32 o 79.94499 9.370229 589.4888       125.4951 641.7739       189.7968 548.8729       167.2815 79.65944 14.48605 74.13982 13.71805 5.519623       19.95070 
1 1 1 -19 1  33 o 59.32283 13.80917 363.9334       137.2725 341.5677       174.4554 400.2939       222.4377 55.09476 16.91717 57.58976 19.25043 -2.494999      25.62752 
1 1 1 -19 1  34 o 48.27381 12.52997 242.8751       104.1928 136.1959       119.9894 569.9092       210.0871 37.31305 13.96535 68.97204 17.73726 -31.65899      22.57524 
1 1 1 -19 1  35 o 37.21634 12.41674 145.7131       92.54380 240.3754       111.3055 -66.26501      166.5611 46.67262 13.31294 28.59407 13.42567 18.07854       18.90722 
1 1 1 -19 1  36 o 118.8551 8.031786 1331.889       162.0600 1528.751       231.5395 1142.829       226.9055 122.0838 11.23216 102.2148 13.31575 19.86900       17.42041 
1 1 1 -19 1  37 o 64.37925 10.02641 423.8144       106.6397 358.4480       160.6041 475.3582       142.6158 51.21902 16.30703 64.21806 13.43653 -12.99905      21.12959 
1 1 1 -19 2  1  o 159.7602 5.063702 2184.728       138.1461 2302.872       184.6611 2034.568       208.1834 163.8800 6.598537 153.6874 7.959707 10.19255       10.33913 
1 1 1 -19 2  2  o 234.3895 5.451694 4703.741       218.2084 4542.822       296.7539 4893.172       321.9732 230.0546 7.553767 238.7023 7.898801 -8.647675      10.92934 
1 1 1 -19 2  3  o 389.2406 9.921069 13048.24       659.4449 12966.89       710.9024 13549.92       1765.423 387.7406 10.73660 385.4414 26.99218 2.299225       29.04914 
1 1 1 -19 2  4  o 162.5912 6.516739 2265.220       180.9378 2265.517       200.5166 2263.919       419.8216 162.5358 7.224362 160.5212 15.50865 2.014557       17.10876 
1 1 1 -19 2  5  o 219.6102 7.051865 4134.486       264.4590 4180.202       291.7367 3923.745       626.3715 220.7305 7.739749 211.0865 17.53554 9.643951       19.16765 
1 1 1 -19 2  6  o 205.6782 6.786399 3625.087       238.3579 3712.148       263.8325 3238.450       555.9932 208.0592 7.425734 191.8343 17.15330 16.22493       18.69163 
1 1 1 -19 2  7  o 208.2320 7.441598 3718.187       264.6158 3764.596       296.3742 3535.789       587.5554 209.4198 8.287446 200.4752 17.33324 8.944641       19.21257 
1 1 1 -19 2  8  o 128.6392 7.138445 1422.839       156.1962 1454.213       181.7317 1334.134       305.5742 129.9064 8.234743 123.1115 14.83372 6.794868       16.96615 
1 1 1 -19 2  9  o 239.9586 15.02907 5022.357       612.7370 5099.068       1059.999 4983.862       750.9047 236.5748 26.70569 237.6924 18.64950 -1.117630      32.57296 
1 1 1 -19 2  10 o 236.6257 18.71742 4944.335       750.1538 5074.765       1057.065 4812.006       1064.732 235.8215 26.72084 228.9779 27.79994 6.843597       38.55956 
1 1 1 -19 2  11 o 464.6830 32.17485 20117.83       2537.432 19454.35       3586.718 20782.61       3590.226 433.7532 49.29889 451.4719 47.26891 -17.71875      68.29884 
1 1 1 -19 2  12 o 244.7106 28.06725 5527.834       1151.671 5527.834       1151.671 0.000000       0.000000 244.7106 28.06725 ?        ?        0.000000       28.06725 
1 1 1 -19 2  13 o 153.5058 22.57588 2147.456       574.1188 2147.456       574.1188 0.000000       0.000000 153.5058 22.57588 ?        ?        0.000000       22.57588 
1 1 1 -19 2  14 o 371.9271 41.24988 13963.25       2575.760 13963.25       2575.760 0.000000       0.000000 371.9271 41.24988 ?        ?        0.000000       41.24988 
1 1 1 -19 2  15 o 247.7451 28.45164 5769.823       1181.850 0.000000       0.000000 5769.823       1181.850 ?        ?        247.7451 28.45164 0.000000       28.45164 
1 1 1 -19 2  16 o 348.9964 25.05727 11245.58       1483.393 11462.86       2103.010 11030.41       2092.698 337.9760 37.04495 330.5934 37.74562 7.382507       52.88724 
1 1 1 -19 2  17 o 178.3004 8.798055 2742.406       267.8803 2877.007       641.7802 2714.008       294.7880 177.0397 21.68134 176.8986 9.796721 0.1410980      23.79194 
1 1 1 -19 2  18 o 134.2763 7.814211 1558.180       178.4040 1360.019       448.7349 1595.383       194.4307 120.2114 22.69145 135.7435 8.429382 -15.53207      24.20654 
1 1 1 -19 2  19 o 215.0432 7.779361 3986.240       285.6746 3482.647       806.1856 4058.555       305.4979 191.3667 25.28940 216.8569 8.249602 -25.49017      26.60093 
1 1 1 -19 2  20 o 109.2867 9.745724 1044.473       179.9708 1001.461       328.5651 1062.910       215.1105 103.6056 19.28059 109.7047 11.66123 -6.099060      22.53277 
1 1 1 -19 2  21 o 216.9998 6.407017 4052.043       237.4199 3838.484       338.1631 4259.643       333.4123 210.2591 9.418235 221.7258 8.805694 -11.46667      12.89354 
1 1 1 -19 2  22 o 129.2074 7.741188 1448.062       170.0167 1366.277       255.7309 1512.844       227.6000 124.0486 12.23148 131.3246 10.22973 -7.275970      15.94542 
1 1 1 -19 2  23 o 98.22324 8.137861 841.4267       135.2686 1009.993       214.0214 729.2991       174.5534 106.4585 11.98087 90.40742 11.57190 16.05108       16.65683 
1 1 1 -19 2  24 o 23.45830 11.44554 -264.3597      149.7018 -264.3597      149.7018 0.000000       0.000000 23.45830 11.44554 ?        ?        0.000000       11.44554 
1 1 1 -19 2  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 2  26 o 117.1868 9.977300 1212.243       197.7604 1287.619       316.2139 1163.824       253.4402 117.8435 16.13747 113.3697 13.34677 4.473831       20.94169 
1 1 1 -19 2  27 o 136.4128 8.514872 1629.310       197.3602 1564.094       307.2574 1675.116       257.5060 130.9612 13.95400 137.1583 11.08905 -6.197159      17.82361 
1 1 1 -19 2  28 o 41.87033 15.48302 138.6888       146.6119 30.29806       218.9404 226.8081       197.4084 40.64117 17.47911 50.58223 18.07121 -9.941051      25.14136 
1 1 1 -19 2  29 o 31.93549 13.82930 4.996935       138.9501 -53.16830      182.1982 85.85238       214.8161 33.42196 15.07487 42.33060 17.71758 -8.908642      23.26294 
1 1 1 -19 2  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 2  31 o 40.24538 14.15537 149.3967       120.6732 235.5786       181.5589 81.19717       161.5104 48.56463 17.33269 37.46331 15.49422 11.10132       23.24851 
1 1 1 -19 2  32 o 76.82038 10.70542 557.7376       136.6204 531.4316       183.4315 590.5106       204.7409 71.37338 15.49438 74.40791 16.54177 -3.034523      22.66508 
1 1 1 -19 2  33 o 33.18618 13.80951 65.27124       129.4275 -152.2870      160.6058 468.2930       218.5936 26.38190 12.61613 62.47566 18.88683 -36.09376      22.71298 
1 1 1 -19 2  34 f 87.42549 8.323167 710.5054       122.7592 728.6815       159.5633 684.1442       192.1616 85.91763 11.13756 79.48901 14.69794 6.428619       18.44111 
1 1 1 -19 2  35 o 36.56252 13.43700 139.5887       110.1402 164.7075       130.2916 76.69713       206.1642 38.85266 14.55038 36.09731 16.17895 2.755356       21.75941 
1 1 1 -19 2  36 o 25.39727 11.33318 3.876212       99.98053 50.58758       122.8546 -87.73029      172.0455 29.96719 12.99030 27.71788 13.20007 2.249317       18.51998 
1 1 1 -19 2  37 o 63.11167 14.12642 473.8107       148.4484 473.8107       148.4484 0.000000       0.000000 63.11167 14.12642 ?        ?        0.000000       14.12642 
1 1 1 -19 3  1  o 97.08348 5.528512 809.8657       91.27562 891.9116       119.7324 696.0294       141.0340 101.7229 6.934082 89.40967 9.376711 12.31319       11.66208 
1 1 1 -19 3  2  o 266.2135 7.611064 6085.519       346.0010 6128.242       377.8835 5863.904       860.6465 267.0060 8.287717 256.4919 19.80273 10.51416       21.46706 
1 1 1 -19 3  3  o 114.3822 6.726563 1125.667       130.8090 1073.642       146.0746 1336.275       293.9043 111.5625 7.714896 123.1638 14.23635 -11.60128      16.19238 
1 1 1 -19 3  4  o 83.74348 7.534184 606.6426       106.5897 531.7697       121.4763 857.1956       222.2178 78.07660 9.293646 98.50677 13.57048 -20.43017      16.44779 
1 1 1 -19 3  5  o 132.2740 6.167910 1498.841       139.3203 1534.174       156.2099 1361.438       308.0443 133.5967 6.870421 124.2674 14.80783 9.329300       16.32405 
1 1 1 -19 3  6  o 175.7380 6.950758 2647.782       208.5930 2594.359       229.9446 2896.036       495.6841 173.8703 7.744544 181.4957 16.16239 -7.625381      17.92207 
1 1 1 -19 3  7  o 253.1850 7.226888 5497.320       312.4578 5640.356       342.9172 4797.772       758.3588 256.3598 7.833169 232.7254 19.25519 23.63438       20.78751 
1 1 1 -19 3  8  f 168.8607 7.129007 2445.028       205.5699 2416.314       230.2104 2558.034       456.6942 167.7695 8.035446 170.6034 15.85750 -2.833832      17.77720 
1 1 1 -19 3  9  o 153.7901 7.779211 2034.982       203.6348 1972.794       233.4117 2233.133       416.6497 151.2056 9.081772 159.3892 15.50394 -8.183640      17.96804 
1 1 1 -19 3  10 o 132.9377 12.30562 1541.486       276.1844 1433.139       471.9270 1597.922       340.6027 124.9703 22.96002 134.6778 15.06805 -9.707474      27.46286 
1 1 1 -19 3  11 f 151.1769 22.54833 2079.616       564.3029 2079.616       564.3029 0.000000       0.000000 151.1769 22.54833 ?        ?        0.000000       22.54833 
1 1 1 -19 3  12 o 176.9690 23.36805 2854.510       688.9178 2854.510       688.9178 0.000000       0.000000 176.9690 23.36805 ?        ?        0.000000       23.36805 
1 1 1 -19 3  13 o 165.3716 22.32231 2491.057       614.2713 0.000000       0.000000 2491.057       614.2713 ?        ?        165.3716 22.32231 0.000000       22.32231 
1 1 1 -19 3  14 o 413.3837 28.69109 15971.68       2012.821 16743.77       2850.919 15204.29       2842.218 404.4137 41.88905 381.4266 44.47083 22.98703       61.09293 
1 1 1 -19 3  15 o 205.3802 16.80459 3745.287       584.2093 3966.627       838.3769 3536.358       814.5323 207.3366 24.13025 195.1093 25.02386 12.22723       34.76295 
1 1 1 -19 3  16 o 363.5933 10.16896 11438.11       631.3850 12302.53       2118.978 11353.88       661.4296 350.6418 35.89436 361.9972 10.69982 -11.35541      37.45519 
1 1 1 -19 3  17 o 105.9647 9.899822 979.8771       177.0639 1235.040       368.9660 903.5320       201.8219 115.9876 19.30700 101.2236 11.90308 14.76398       22.68135 
1 1 1 -19 3  18 o 34.08305 12.66714 79.43400       98.37814 38.35106       275.2063 85.45291       105.3384 46.89500 19.86324 35.27507 13.10810 11.61993       23.79854 
1 1 1 -19 3  19 o 231.9540 8.821884 4653.283       349.4341 4673.120       974.5361 4650.357       374.3249 220.4953 26.40731 231.6586 9.462337 -11.16328      28.05141 
1 1 1 -19 3  20 o 29.77119 11.34691 55.01458       80.04453 30.75116       103.3282 91.42529       126.5778 30.42058 12.46665 37.54313 14.27847 -7.122553      18.95500 
1 1 1 -19 3  21 f 135.8956 8.016183 1602.041       185.2028 1464.768       411.8321 1636.839       207.3527 124.9880 19.96726 137.1192 8.903625 -12.13123      21.86244 
1 1 1 -19 3  22 o 150.4622 6.871125 1952.372       176.5457 1514.577       298.5979 2187.669       218.9065 130.0083 13.65366 158.7662 8.101136 -28.75790      15.87611 
1 1 1 -19 3  23 o 62.71575 16.36354 369.2381       177.0976 396.9545       232.1799 330.6785       273.8561 64.75563 19.44001 61.02312 21.33218 3.732510       28.86132 
1 1 1 -19 3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 3  25 o 109.2913 9.269009 1048.840       171.3595 1377.048       292.9972 878.2133       211.2572 123.2311 14.18191 98.67062 12.84215 24.56052       19.13236 
1 1 1 -19 3  26 o 103.6655 9.462547 947.4829       165.6649 991.8311       295.7138 927.1981       199.9954 102.4138 17.53960 101.6932 11.73186 0.7206039      21.10152 
1 1 1 -19 3  27 f 162.4927 7.626095 2296.296       211.6109 2187.970       325.4149 2375.666       278.5475 155.9299 12.32136 163.9333 9.997953 -8.003372      15.86742 
1 1 1 -19 3  28 o 126.0347 7.926047 1394.892       169.7192 1173.843       273.8363 1532.766       216.2654 111.8885 14.68664 131.2439 9.718607 -19.35542      17.61104 
1 1 1 -19 3  29 o 70.22528 11.64071 458.7877       134.7073 204.2180       194.2342 694.7031       186.9823 47.94410 17.80278 85.83608 13.17752 -37.89199      22.14917 
1 1 1 -19 3  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 3  31 o 40.74820 12.87571 160.0814       100.2722 212.4124       135.7534 97.25190       148.7485 46.10014 15.02238 37.49312 15.10708 8.607018       21.30483 
1 1 1 -19 3  32 o 111.1225 10.79962 1164.916       202.3444 1164.916       202.3444 0.000000       0.000000 111.1225 10.79962 ?        ?        0.000000       10.79962 
1 1 1 -19 3  33 o 47.73585 14.00849 240.8461       121.6539 97.43886       161.6531 428.1361       184.7378 36.97118 15.41297 61.16486 17.04871 -24.19368      22.98299 
1 1 1 -19 3  34 o 37.36098 13.81723 141.1184       116.7685 124.8086       139.5540 179.1950       213.2288 36.73346 14.69190 41.82273 17.58660 -5.089279      22.91595 
1 1 1 -19 3  35 o 46.60025 13.35726 241.9155       111.7767 246.3987       131.7419 230.3947       211.1890 45.82926 14.78814 43.07353 17.75713 2.755730       23.10854 
1 1 1 -19 3  36 o 25.93585 11.42201 17.28965       98.27292 -40.32404      149.6361 60.98640       130.3161 27.50433 12.85337 30.85478 13.37701 -3.350456      18.55138 
1 1 1 -19 4  1  o 48.02451 9.140821 205.1800       72.22504 154.9196       86.73621 318.8399       130.4342 41.70539 11.70220 59.42134 13.19765 -17.71595      17.63858 
1 1 1 -19 4  2  o 278.7414 7.771435 6675.946       369.9173 6705.023       403.0491 6520.576       931.6642 279.1870 8.453974 269.8824 20.36543 9.304626       22.05041 
1 1 1 -19 4  3  o 208.3403 6.765399 3723.341       240.6959 3741.493       263.2747 3630.920       594.0522 208.7550 7.385337 202.4700 17.34911 6.285019       18.85563 
1 1 1 -19 4  4  o 48.63186 9.679766 210.8536       77.56067 196.3554       90.49243 250.9858       150.5573 46.73782 11.43246 53.09205 15.58507 -6.354225      19.32862 
1 1 1 -19 4  5  o 163.3232 6.125393 2285.725       170.8378 2348.230       188.7071 2001.792       402.1988 165.4855 6.677694 150.5363 15.88570 14.94923       17.23215 
1 1 1 -19 4  6  o 186.7582 6.505681 2989.875       207.4791 3033.923       228.1728 2779.550       498.5972 188.0571 7.105130 177.4141 16.65220 10.64307       18.10466 
1 1 1 -19 4  7  o 253.0829 7.125118 5494.679       307.9334 5624.709       337.5193 4849.011       752.1087 255.9550 7.722058 233.7212 19.00903 22.23386       20.51764 
1 1 1 -19 4  8  o 130.3955 6.489207 1457.460       144.4961 1518.551       164.1543 1247.240       304.5108 132.8394 7.263938 118.6367 15.39363 14.20268       17.02142 
1 1 1 -19 4  9  o 173.1194 6.715774 2569.860       198.5380 2609.828       221.5819 2407.131       447.1084 174.3762 7.441239 165.1855 16.05312 9.190659       17.69392 
1 1 1 -19 4  10 o 121.9109 7.785071 1281.547       161.2256 1272.404       172.9842 1342.019       444.8906 121.3761 8.397481 120.7841 22.39419 0.5920258      23.91689 
1 1 1 -19 4  11 o 289.5349 9.204465 7218.932       455.0943 7199.789       478.7963 7398.049       1464.575 289.0149 9.701271 279.7218 31.19197 9.293060       32.66579 
1 1 1 -19 4  12 o 163.3297 14.87054 2348.919       410.2140 2679.542       594.5050 2048.445       566.7502 172.2504 20.62120 149.3346 22.95956 22.91580       30.86057 
1 1 1 -19 4  13 o 410.0933 27.93321 15671.83       1944.513 17035.38       2754.038 14316.35       2745.894 410.6927 39.76716 369.6067 44.39339 41.08606       59.60034 
1 1 1 -19 4  14 o 180.6894 15.78468 2890.734       482.1576 3095.769       696.6398 2702.206       668.0087 183.6946 22.69029 171.0546 23.48896 12.64000       32.65855 
1 1 1 -19 4  15 o 183.4873 8.469604 2901.036       265.3817 3582.964       706.7286 2789.097       286.3359 198.2965 21.19910 179.4930 9.374241 18.80353       23.17926 
1 1 1 -19 4  16 o 74.07037 11.66784 488.0632       142.6999 643.2870       289.7014 438.3357       163.9721 82.86945 20.56821 69.48903 14.29522 13.38042       25.04804 
1 1 1 -19 4  17 o 93.66819 9.847900 767.7617       155.1619 527.2689       316.1624 844.0619       178.0828 75.12830 22.71461 98.02409 10.81894 -22.89579      25.15955 
1 1 1 -19 4  18 o 68.22214 12.85377 420.3404       144.2537 672.1333       304.9027 347.7262       163.7383 84.15267 21.22129 61.46363 15.57961 22.68904       26.32617 
1 1 1 -19 4  19 o 91.09534 9.735765 728.0099       149.1043 752.0018       335.4466 722.1025       166.4516 88.46651 22.23127 90.38680 11.01162 -1.920288      24.80897 
1 1 1 -19 4  20 o 105.1693 8.779833 964.5712       156.2384 1084.584       268.0038 902.7867       192.2950 109.6314 14.68436 101.0120 11.34404 8.619484       18.55580 
1 1 1 -19 4  21 o 25.45921 10.27952 25.94179       69.02568 -23.58105      86.00038 115.6062       115.7198 24.12605 10.65188 38.66357 13.83351 -14.53752      17.45933 
1 1 1 -19 4  22 f 270.1401 7.988279 6318.562       368.5057 6328.565       891.0502 6316.498       404.7399 260.2051 20.21184 269.7028 8.787970 -9.497711      22.03967 
1 1 1 -19 4  23 o 23.96724 11.98505 -538.6765      204.4769 0.000000       0.000000 -538.6765      204.4769 ?        ?        23.96724 11.98505 0.000000       11.98505 
1 1 1 -19 4  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 4  25 o 43.56264 15.24287 157.7501       139.8410 131.2923       227.0321 173.9247       177.5120 47.00911 18.76065 46.77252 17.07834 0.2365913      25.36990 
1 1 1 -19 4  26 o 74.91651 11.94753 509.5214       147.7127 357.6618       254.7666 586.4224       181.2956 61.56376 20.60179 79.75581 13.81160 -18.19205      24.80311 
1 1 1 -19 4  27 o 93.16969 8.692214 766.5613       136.6982 1042.144       275.5497 676.5972       157.4375 105.1523 15.83669 86.67116 10.87687 18.48116       19.21216 
1 1 1 -19 4  28 o 33.76047 13.46231 64.85390       116.8167 -208.9498      234.9493 154.7675       134.6379 33.20098 15.69822 42.27480 14.94313 -9.073814      21.67329 
1 1 1 -19 4  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 4  30 o 18.62995 9.278463 -278.1572      117.3048 -325.5703      156.1656 -216.7655      177.7013 22.16985 10.98410 27.02002 13.01161 -4.850168      17.02799 
1 1 1 -19 4  31 o 41.28521 13.68531 165.4277       112.4858 26.15759       148.2411 354.4558       172.7042 33.03508 14.29482 57.59218 16.63107 -24.55711      21.93022 
1 1 1 -19 4  32 o 28.28648 12.70329 -21.21927      127.7694 29.58357       154.2946 -132.0690      227.9156 33.24769 14.48461 32.82876 15.50357 0.4189262      21.21708 
1 1 1 -19 4  33 o 20.73542 10.30031 -286.5312      140.8118 -286.5312      140.8118 0.000000       0.000000 20.73542 10.30031 ?        ?        0.000000       10.30031 
1 1 1 -19 4  34 o 21.81378 10.36701 -92.22317      105.0318 -134.5358      133.1380 -22.49272      170.9143 23.50351 11.30417 30.72919 14.14167 -7.225679      18.10445 
1 1 1 -19 4  35 o 45.01945 12.99423 224.3861       105.4524 279.9187       140.1792 151.9905       160.0536 48.24434 15.22159 38.04430 15.54465 10.20005       21.75622 
1 1 1 -19 4  36 o 32.50225 12.44535 107.6441       96.57091 115.0700       137.6958 100.4559       135.4750 34.15092 14.23012 33.17496 13.98770 0.9759598      19.95375 
1 1 1 -19 5  1  o 157.6837 4.944281 2129.066       133.1349 2342.941       180.2426 1872.273       197.5011 165.2563 6.387007 147.3394 7.878164 17.91693       10.14196 
1 1 1 -19 5  2  o 163.5723 4.979034 2290.885       139.0775 2282.370       190.4410 2300.615       203.5868 163.0667 6.839014 163.6594 7.284618 -0.5927277     9.991886 
1 1 1 -19 5  3  o 217.7408 7.140091 4070.773       265.4884 4012.450       289.8461 4374.681       661.6329 216.0486 7.856227 221.9843 17.59813 -5.935699      19.27212 
1 1 1 -19 5  4  o 88.01363 6.031048 667.0790       90.09852 725.3347       101.5675 451.9478       195.1808 91.73017 6.526543 70.37209 16.52405 21.35808       17.76626 
1 1 1 -19 5  5  o 141.8168 6.249100 1724.333       151.3377 1722.209       167.0126 1734.082       357.8009 141.6651 6.903740 140.0442 15.20580 1.620926       16.69964 
1 1 1 -19 5  6  o 110.0063 6.852837 1042.298       128.0937 1009.942       144.0396 1164.641       280.0880 108.1295 7.854364 114.6465 14.64076 -6.517036      16.61454 
1 1 1 -19 5  7  o 221.2304 7.050053 4200.583       266.3416 4188.145       290.9879 4264.820       661.2754 220.7895 7.717818 219.2374 17.81719 1.552063       19.41692 
1 1 1 -19 5  8  o 284.7993 7.680090 6968.320       373.5142 7081.878       406.9038 6360.333       941.5200 286.9615 8.303597 266.2079 20.87869 20.75363       22.46930 
1 1 1 -19 5  9  o 194.6218 7.177898 3251.849       238.5562 3246.974       250.5465 3299.156       780.4839 194.4200 7.546497 189.2187 24.74750 5.201355       25.87254 
1 1 1 -19 5  10 o 211.0873 8.038321 3831.339       289.7539 3831.339       289.7539 0.000000       0.000000 211.0873 8.038321 ?        ?        0.000000       8.038321 
1 1 1 -19 5  11 o 173.8903 7.141721 2596.689       212.0704 2561.081       237.5070 2736.730       471.0045 172.5585 8.060057 175.8985 15.85081 -3.339966      17.78237 
1 1 1 -19 5  12 o 172.0354 6.474727 2539.500       190.2134 2738.687       218.9182 1925.841       384.2506 178.5541 7.179763 147.3697 15.50117 31.18442       17.08318 
1 1 1 -19 5  13 o 193.7409 7.422460 3226.703       245.5676 3286.329       262.7627 2815.334       690.1756 195.4402 7.873139 174.3277 23.80649 21.11247       25.07460 
1 1 1 -19 5  14 o 119.9393 9.276289 1249.192       188.5159 1874.072       422.1393 1093.530       210.6918 144.3866 17.47680 111.7307 11.19318 32.65581       20.75394 
1 1 1 -19 5  15 o 192.5911 8.280392 3197.010       272.3260 3428.779       754.5031 3162.294       292.0100 192.1059 23.48876 191.3950 8.934394 0.7108917      25.13057 
1 1 1 -19 5  16 o 235.8844 8.581431 4802.435       345.6693 5698.279       1053.343 4694.317       365.9345 245.9209 25.45093 233.0284 9.195865 12.89247       27.06130 
1 1 1 -19 5  17 o 126.1953 8.457714 1381.302       181.2083 1130.555       390.6072 1450.066       204.5518 109.4437 21.66679 129.0949 9.341935 -19.65120      23.59494 
1 1 1 -19 5  18 o 119.5421 8.621557 1241.928       174.8171 867.7481       382.5792 1340.674       196.5351 94.58454 23.72695 124.0404 9.347129 -29.45589      25.50171 
1 1 1 -19 5  19 o 48.45803 14.18227 212.3196       124.8397 219.3556       274.0146 210.4766       140.2398 55.17151 21.00221 48.63945 15.20645 6.532059       25.92930 
1 1 1 -19 5  20 o 78.61253 9.948235 546.0662       130.5598 408.8418       312.2534 575.1392       143.7263 67.00624 22.80610 80.49671 10.72247 -13.49047      25.20099 
1 1 1 -19 5  21 o 217.2747 7.385246 4077.982       274.0161 4418.998       625.8989 3997.123       304.7759 220.4316 16.75292 214.7795 8.309709 5.652039       18.70058 
1 1 1 -19 5  22 o 85.78024 14.54685 674.0873       205.4740 695.4827       245.5863 624.1620       375.1498 86.05043 17.31245 79.29813 24.88408 6.752296       30.31400 
1 1 1 -19 5  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 5  24 o 137.2815 7.656940 1637.651       178.7870 1559.268       337.7967 1668.154       210.7216 130.5413 15.45315 138.1099 8.983613 -7.568527      17.87470 
1 1 1 -19 5  25 o 105.9032 8.431320 982.0548       151.2149 1366.197       298.3084 849.2130       175.4232 122.2754 14.57356 97.68451 10.69072 24.59093       18.07430 
1 1 1 -19 5  26 o 116.5638 8.123373 1189.615       160.6863 2056.098       273.1606 731.1276       198.7018 152.1884 10.57646 89.19844 13.46409 62.99001       17.12143 
1 1 1 -19 5  27 o 143.9229 7.344983 1809.725       179.9180 1551.901       291.1130 1969.070       228.8594 129.9209 13.30926 149.2931 9.019262 -19.37215      16.07742 
1 1 1 -19 5  28 o 18.33532 9.178372 -322.3758      121.3727 -101.9467      223.4099 -414.6771      144.5679 35.20199 16.18827 19.38549 9.747383 15.81650       18.89633 
1 1 1 -19 5  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 5  30 o 75.12902 9.418402 517.1100       118.1778 560.3395       171.4458 477.9763       163.1219 75.51538 13.80371 69.31423 14.25710 6.201149       19.84458 
1 1 1 -19 5  31 o 47.30079 13.12169 224.8665       109.7077 143.3707       132.5006 402.5394       195.6414 39.62769 14.70607 60.12638 17.79856 -20.49869      23.08804 
1 1 1 -19 5  32 o 68.33294 10.38868 445.7366       117.4069 336.1952       146.7560 640.4960       195.6842 56.00486 15.03097 77.81763 15.27104 -21.81276      21.42743 
1 1 1 -19 5  33 o 52.65875 12.90984 291.0039       115.1949 289.5807       134.2301 294.9814       224.4056 51.17936 14.62717 48.69222 18.88431 2.487141       23.88663 
1 1 1 -19 5  34 o 110.0335 9.028008 1154.113       168.1417 1154.113       168.1417 0.000000       0.000000 110.0335 9.028008 ?        ?        0.000000       9.028008 
1 1 1 -19 5  35 o 34.99234 13.17130 127.4298       107.0280 83.04084       137.4138 195.8877       170.6492 32.84021 13.97784 40.45888 16.22360 -7.618668      21.41460 
1 1 1 -19 5  36 o 44.72247 13.52822 238.5615       112.1252 293.0240       148.1506 165.5383       171.5478 46.93352 15.71032 37.33092 15.74009 9.602596       22.23880 
1 1 1 -19 6  1  o 142.2557 5.094765 1733.649       123.7644 1693.068       162.9515 1788.975       190.2642 140.3986 6.796629 143.9859 7.766846 -3.587265      10.32076 
1 1 1 -19 6  2  f 192.1620 5.025311 3162.836       164.9044 3115.569       227.9308 3214.751       238.8741 190.4374 7.008883 193.4066 7.232622 -2.969193      10.07151 
1 1 1 -19 6  3  o 210.7771 5.178915 3805.578       186.4078 3773.681       258.3974 3840.191       269.1737 209.5735 7.220210 211.3682 7.457460 -1.794708      10.38004 
1 1 1 -19 6  4  o 283.4598 6.127407 6890.761       296.5993 6726.073       410.6563 7070.359       428.8440 279.4557 8.605253 286.4720 8.766279 -7.016296      12.28406 
1 1 1 -19 6  5  o 92.92616 6.340886 744.1546       100.0204 740.9697       110.9000 758.0397       231.5550 92.62291 7.064787 91.84916 15.30142 0.7737503      16.85362 
1 1 1 -19 6  6  o 235.7789 6.872355 4772.519       276.7021 4857.626       302.1600 4330.344       688.7328 237.7605 7.442098 220.2103 18.48623 17.55011       19.92801 
1 1 1 -19 6  7  o 196.7139 6.430383 3319.824       216.0099 3401.685       236.4622 2907.068       530.9686 199.0436 6.956832 180.6229 17.43098 18.42075       18.76797 
1 1 1 -19 6  8  o 157.6452 6.894004 2133.709       185.5899 2141.467       195.9322 2065.989       578.8819 157.8832 7.267217 149.3767 23.46738 8.506424       24.56686 
1 1 1 -19 6  9  o 216.8255 6.363379 4033.401       235.6134 4149.209       247.8871 2950.046       758.1738 219.8762 6.601974 177.6396 25.74373 42.23654       26.57679 
1 1 1 -19 6  10 o 109.2815 6.608839 1028.771       122.7513 1065.481       142.2611 921.7887       242.8578 111.0747 7.544875 101.7089 14.38390 9.365730       16.24259 
1 1 1 -19 6  11 o 331.3062 7.894462 9444.929       446.6362 9751.143       486.7670 7814.183       1123.315 336.4367 8.472583 292.5735 22.66028 43.86328       24.19242 
1 1 1 -19 6  12 o 30.98387 10.81077 74.39867       70.31808 84.77329       94.43642 61.48880       105.3451 34.28938 12.46633 33.23789 12.92530 1.051483       17.95753 
1 1 1 -19 6  13 o 33.47376 10.97246 93.52204       72.38416 135.4037       98.37119 44.07046       106.8922 39.80601 12.77177 31.97673 12.83382 7.829279       18.10594 
1 1 1 -19 6  14 o 41.10604 11.71596 150.7981       86.23815 299.7531       124.5566 13.65113       119.5177 57.46712 12.99688 31.26199 13.15731 26.20512       18.49415 
1 1 1 -19 6  15 o 207.1907 5.806540 3684.198       205.4422 4057.607       301.8227 3361.839       280.4332 216.8992 8.148769 197.3873 8.319714 19.51196       11.64560 
1 1 1 -19 6  16 o 31.85973 12.49389 54.26662       99.06695 104.0909       218.7449 41.41038       111.1155 45.76009 18.36146 32.17556 13.02442 13.58453       22.51175 
1 1 1 -19 6  17 f 30.60439 12.66465 25.42650       107.9945 235.0698       226.7452 -36.08284      122.8197 54.00523 19.35971 28.63007 12.68043 25.37516       23.14285 
1 1 1 -19 6  18 o 100.2480 9.425989 879.5560       159.4684 855.8274       345.2153 885.9929       179.8018 94.35089 21.85520 100.2799 10.66333 -5.929054      24.31782 
1 1 1 -19 6  19 o 139.1895 9.365770 1690.162       221.3187 2068.015       563.2657 1621.176       240.6757 146.7237 23.25640 135.9537 10.44657 10.77002       25.49492 
1 1 1 -19 6  20 o 44.01943 13.53486 172.7716       111.6267 41.10649       237.6342 210.0503       126.4456 43.65442 18.47227 48.14335 14.32208 -4.488930      23.37407 
1 1 1 -19 6  21 o 146.5970 16.53663 1967.462       406.7414 2156.581       585.9683 1791.610       565.0409 148.4743 23.92405 133.8325 25.65757 14.64182       35.08092 
1 1 1 -19 6  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 6  23 o 81.13658 12.45249 595.1299       167.0228 0.000000       0.000000 595.1299       167.0228 ?        ?        81.13658 12.45249 0.000000       12.45249 
1 1 1 -19 6  24 o 106.3620 9.107000 994.0323       163.8157 1163.289       273.1384 898.9474       204.7223 112.8263 14.51302 99.97032 12.24822 12.85599       18.99070 
1 1 1 -19 6  25 o 61.91174 12.67683 353.9073       129.5142 841.7993       280.5861 221.8129       145.9979 93.56915 18.21557 49.20873 15.53520 44.36041       23.94054 
1 1 1 -19 6  26 o 60.73643 14.01260 348.8449       142.3762 843.9097       251.2109 114.5685       172.8111 94.11993 16.21514 41.88157 16.47669 52.23837       23.11736 
1 1 1 -19 6  27 o 27.19748 12.59670 -95.39275      138.7923 -106.7907      207.2017 -86.11646      186.9247 33.81343 15.56462 32.67508 14.94529 1.138359       21.57821 
1 1 1 -19 6  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 6  29 o 43.30936 13.91519 180.4577       116.7426 424.9137       187.0704 24.52934       149.4058 63.89689 16.88884 33.48912 14.42120 30.40777       22.20819 
1 1 1 -19 6  30 o 70.89530 8.784494 459.3318       104.0721 274.6704       142.3577 671.3223       152.5285 51.56858 15.15954 84.56940 10.80903 -33.00082      18.61845 
1 1 1 -19 6  31 o 37.00941 13.11342 127.8735       103.7448 57.55013       123.4956 296.5144       191.2419 32.49911 13.50360 51.57975 17.83799 -19.08063      22.37278 
1 1 1 -19 6  32 o 43.32865 13.27257 195.4212       107.4571 136.1364       131.8490 312.6989       185.4440 38.05654 14.54910 51.54829 17.57520 -13.49175      22.81587 
1 1 1 -19 6  33 o 31.71683 12.62738 81.76360       102.6268 147.2419       124.8040 -54.96656      180.3482 37.90435 14.23175 30.33897 14.15547 7.565382       20.07287 
1 1 1 -19 6  34 o 40.01419 13.32510 176.3961       106.5976 289.1448       140.4713 23.31342       163.6797 49.25886 15.18942 31.66483 14.28474 17.59403       20.85119 
1 1 1 -19 6  35 o 32.33307 12.69077 101.8026       102.2975 45.57206       147.4449 153.9913       142.0471 30.97037 13.79565 37.05670 14.82207 -6.086332      20.24879 
1 1 1 -19 7  1  o 129.0607 5.177796 1427.566       114.1145 1419.674       148.0436 1439.121       179.1274 128.3558 6.778210 128.9688 8.175753 -0.6129761     10.62013 
1 1 1 -19 7  2  f 80.72107 6.272951 562.6624       85.78992 531.7537       112.7688 605.1282       132.1809 78.06418 8.602118 83.15788 9.477455 -5.093697      12.79916 
1 1 1 -19 7  3  o 101.8644 5.040959 888.9910       87.68742 741.5945       117.2749 1075.878       132.0540 92.55251 7.484243 111.6772 6.959042 -19.12467      10.21969 
1 1 1 -19 7  4  o 42.65381 8.579362 162.3636       60.32532 200.6356       73.54762 83.68061       105.4553 47.38603 9.420774 35.17618 13.10666 12.20985       16.14111 
1 1 1 -19 7  5  o 257.8675 5.965443 5704.066       262.6886 5615.126       374.1692 5790.509       368.8827 255.2158 8.585360 259.2428 8.332583 -4.026978      11.96413 
1 1 1 -19 7  6  o 35.56853 10.51076 111.2591       68.27705 107.7452       73.03600 135.6173       192.2936 35.31752 10.96284 45.98437 17.57262 -10.66685      20.71185 
1 1 1 -19 7  7  o 163.4302 6.289093 2292.184       175.5182 2319.512       185.0559 2047.387       553.8667 164.3601 6.593328 148.7234 22.51254 15.63667       23.45818 
1 1 1 -19 7  8  o 87.44904 7.123801 661.5317       105.4576 626.8837       120.4830 775.0366       218.0690 84.88914 8.422533 93.09433 14.16395 -8.205193      16.47898 
1 1 1 -19 7  9  o 197.5241 6.716379 3351.134       226.5464 3339.033       248.2820 3411.310       553.6669 197.0465 7.378611 195.6628 16.73150 1.383682       18.28625 
1 1 1 -19 7  10 o 83.73374 6.572523 605.7878       93.22478 622.8007       107.4450 553.9729       187.5097 84.76003 7.500679 78.27207 14.56463 6.487961       16.38257 
1 1 1 -19 7  11 o 70.05010 7.713734 427.4371       90.74381 505.0903       117.2932 311.6665       143.2163 75.92206 9.237326 58.44458 14.43500 17.47747       17.13760 
1 1 1 -19 7  12 o 58.56076 9.142124 303.1772       88.43589 340.2785       118.4685 256.4806       132.9077 61.55041 11.69885 53.11486 14.32486 8.435547       18.49499 
1 1 1 -19 7  13 o 22.40320 9.864301 -19.53246      73.26183 -61.90502      121.2538 4.829764       91.94149 27.12892 12.26145 27.05731 11.47190 0.7160568E-01  16.79130 
1 1 1 -19 7  14 o 148.0717 6.537714 1884.850       165.3103 1845.592       219.9789 1935.784       250.5638 145.8457 8.874744 149.0942 9.897627 -3.248505      13.29376 
1 1 1 -19 7  15 o 175.1896 5.933590 2636.003       177.5120 2519.338       240.7177 2775.071       262.8151 170.8009 8.253076 179.1761 8.589509 -8.375168      11.91188 
1 1 1 -19 7  16 o 154.9737 6.247810 2064.948       165.3438 2085.411       231.1751 2043.516       236.5814 154.9823 8.770861 153.3223 9.076349 1.659943       12.62173 
1 1 1 -19 7  17 f 37.54242 14.91384 72.45440       142.8671 369.6700       268.3202 -45.14771      168.7816 63.87397 21.13471 33.52850 14.85671 30.34547       25.83405 
1 1 1 -19 7  18 o 87.00848 10.08875 667.7783       147.1180 966.2469       343.4844 600.7229       162.8075 100.6612 20.67414 81.92081 11.99320 18.74037       23.90099 
1 1 1 -19 7  19 o 56.70559 14.31055 297.2028       138.5795 439.4903       305.8802 260.4547       155.4480 68.50430 22.56066 53.32745 15.88341 15.17685       27.59105 
1 1 1 -19 7  20 o 27.93388 13.58084 -337.1093      205.6032 -337.1093      205.6032 0.000000       0.000000 27.93388 13.58084 ?        ?        0.000000       13.58084 
1 1 1 -19 7  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 7  22 o 27.00639 12.61448 -127.6130      143.8460 0.000000       0.000000 -127.6130      143.8460 ?        ?        27.00639 12.61448 0.000000       12.61448 
1 1 1 -19 7  23 f 82.86670 14.30189 632.4783       195.0697 0.000000       0.000000 632.4783       195.0697 ?        ?        82.86670 14.30189 0.000000       14.30189 
1 1 1 -19 7  24 o 158.1096 8.141859 2180.741       219.0820 1998.543       365.1885 2283.182       273.8307 147.8854 14.65360 160.9259 10.01411 -13.04050      17.74854 
1 1 1 -19 7  25 f 75.33113 12.27938 520.5865       152.5198 256.4536       279.4319 632.6688       182.0258 55.48875 21.18832 82.73000 13.33807 -27.24125      25.03695 
1 1 1 -19 7  26 o 52.93420 14.69779 269.5913       137.5797 579.1130       246.4411 129.4482       165.8262 75.38563 19.11607 42.05880 16.25530 33.32683       25.09300 
1 1 1 -19 7  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 7  28 o 25.69596 11.78769 -63.13462      117.4645 -217.3474      186.9889 37.39078       150.9710 28.00529 13.45054 34.45447 14.65771 -6.449175      19.89386 
1 1 1 -19 7  29 o 111.2061 6.955176 1095.480       131.4167 1307.807       191.4841 906.4207       180.6879 119.7777 9.438169 98.54940 10.92034 21.22834       14.43374 
1 1 1 -19 7  30 o 60.20623 9.953828 341.1524       98.76109 455.3421       134.2235 206.3483       145.8366 68.48422 11.90962 45.03022 15.57690 23.45400       19.60813 
1 1 1 -19 7  31 o 50.37641 10.94380 248.6620       91.45208 151.5325       122.9812 368.8148       136.7824 39.39077 14.24066 59.66584 13.71220 -20.27507      19.76919 
1 1 1 -19 7  32 o 71.71829 8.349832 479.5537       100.3466 510.3106       140.0791 447.1330       143.8179 71.07784 11.96591 65.20664 13.36474 5.871201       17.93876 
1 1 1 -19 7  33 o 32.68362 12.92929 94.14533       106.9586 17.40753       133.0710 234.2103       179.7808 29.48087 13.12100 43.87219 16.93405 -14.39132      21.42248 
1 1 1 -19 7  34 o 44.73061 11.89319 215.3704       92.41454 289.2648       119.4650 105.2598       145.8308 50.47210 13.56810 34.52810 14.53289 15.94400       19.88211 
1 1 1 -19 7  35 o 37.96829 13.38601 168.3291       107.9726 238.2027       137.8060 57.23445       173.7633 43.03883 15.12751 32.32602 14.63811 10.71281       21.05032 
1 1 1 -19 8  1  o 210.8405 5.263317 3811.655       189.5027 3703.090       265.5313 3924.348       270.5333 207.3669 7.498502 213.4908 7.420610 -6.123962      10.54955 
1 1 1 -19 8  2  o 47.00373 8.540079 196.4594       66.02329 139.6539       79.85085 319.2207       117.3856 39.56555 11.27264 59.49592 11.96845 -19.93037      16.44130 
1 1 1 -19 8  3  o 39.78500 10.07098 142.4333       68.48485 104.7777       85.21827 211.1009       115.0783 35.63300 11.91521 48.35314 13.44809 -12.72014      17.96729 
1 1 1 -19 8  4  o 286.9259 6.090984 7067.762       298.4415 6632.309       422.4825 7501.478       421.6387 277.0814 8.928930 294.8853 8.373086 -17.80389      12.24068 
1 1 1 -19 8  5  o 194.8459 5.476687 3255.743       182.2264 2968.021       254.5105 3558.388       261.0271 185.5729 8.031364 203.3096 7.518404 -17.73679      11.00133 
1 1 1 -19 8  6  o 227.9713 5.688131 4458.263       221.4378 4354.547       302.2681 4578.403       325.3218 224.8236 7.873149 230.4245 8.267658 -5.600922      11.41668 
1 1 1 -19 8  7  o 237.1277 7.281385 4838.147       294.8481 4819.697       321.5859 4935.459       738.5643 236.4976 7.962847 233.9432 18.64215 2.554382       20.27157 
1 1 1 -19 8  8  o 31.67015 11.01477 78.46158       72.96887 11.51623       87.85217 227.3819       131.0295 26.99554 11.31678 50.23560 14.48022 -23.24006      18.37787 
1 1 1 -19 8  9  o 320.8531 6.940428 8853.276       380.2721 9343.196       533.1283 8345.854       542.5679 328.5850 9.501278 310.2180 10.24201 18.36700       13.97043 
1 1 1 -19 8  10 o 120.1366 5.758025 1238.564       118.1275 1165.411       144.8305 1383.938       204.1680 116.1262 7.341233 126.0900 9.553061 -9.963852      12.04801 
1 1 1 -19 8  11 o 132.2152 5.665586 1500.090       127.9170 1388.437       168.3572 1652.573       196.7461 126.6782 7.820909 138.1163 8.381427 -11.43813      11.46363 
1 1 1 -19 8  12 o 152.6709 5.791677 2000.990       150.9949 1973.103       190.1757 2048.552       248.3679 151.3516 7.358105 153.4859 9.523008 -2.134247      12.03451 
1 1 1 -19 8  13 o 126.7767 5.829349 1380.221       126.2006 1410.164       164.8964 1337.884       196.0748 127.6698 7.597803 123.9280 9.333633 3.741814       12.03509 
1 1 1 -19 8  14 o 91.84566 6.801790 730.0185       105.9218 741.7897       134.3859 710.7110       172.1100 92.21566 8.634413 89.50702 11.52818 2.708641       14.40320 
1 1 1 -19 8  15 o 161.0381 5.661455 2227.372       155.6893 1986.156       216.8120 2484.171       223.7055 151.3035 8.424773 169.6391 7.722337 -18.33566      11.42853 
1 1 1 -19 8  16 o 173.9260 7.799531 2613.369       231.6514 2430.041       656.3277 2639.457       247.5855 158.0179 25.16687 174.6566 8.301150 -16.63872      26.50058 
1 1 1 -19 8  17 o 74.51059 8.746531 487.6997       109.1731 499.1089       161.0895 478.0080       148.4696 74.14437 13.20711 72.76744 12.39220 1.376930       18.11061 
1 1 1 -19 8  18 o 62.63857 24.68238 278.6795       388.3817 278.6795       388.3817 0.000000       0.000000 62.63857 24.68238 ?        ?        0.000000       24.68238 
1 1 1 -19 8  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 8  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 8  21 o 153.2618 9.775447 2059.949       254.5085 0.000000       0.000000 2059.949       254.5085 ?        ?        153.2618 9.775447 0.000000       9.775447 
1 1 1 -19 8  22 o 240.9628 10.48064 5100.408       431.2607 0.000000       0.000000 5100.408       431.2607 ?        ?        240.9628 10.48064 0.000000       10.48064 
1 1 1 -19 8  23 o 65.44650 18.37031 414.5005       213.7063 0.000000       0.000000 414.5005       213.7063 ?        ?        65.44650 18.37031 0.000000       18.37031 
1 1 1 -19 8  24 o 161.3883 9.244882 2295.895       253.7252 0.000000       0.000000 2295.895       253.7252 ?        ?        161.3883 9.244882 0.000000       9.244882 
1 1 1 -19 8  25 o 84.57523 10.79047 648.9865       152.2911 500.6859       278.9800 711.9376       181.7621 69.14867 21.41971 87.81395 12.47141 -18.66528      24.78588 
1 1 1 -19 8  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 8  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 8  28 o 46.37847 13.01921 211.3812       107.3332 156.0830       156.8069 260.1308       147.2295 42.12141 15.92270 50.51871 15.54597 -8.397293      22.25331 
1 1 1 -19 8  29 o 73.63748 9.504162 502.1697       116.7235 791.8211       179.7956 291.1598       153.4591 90.87683 11.86926 52.49183 15.81490 38.38501       19.77348 
1 1 1 -19 8  30 o 87.76388 7.967131 700.2813       118.1031 715.3636       154.3480 678.9777       183.4402 86.72309 10.64588 81.98586 13.57766 4.737236       17.25363 
1 1 1 -19 8  31 o 62.76684 10.12794 380.4145       104.8606 306.6733       134.7006 493.8421       167.0606 53.07015 14.46667 67.45403 14.90069 -14.38388      20.76813 
1 1 1 -19 8  32 o 92.69910 6.445934 776.5215       101.4036 759.0851       132.6193 801.0648       157.3421 89.59151 8.781261 90.37179 10.38420 -0.7802811     13.59934 
1 1 1 -19 8  33 o 54.97404 10.67929 306.6401       96.64105 336.8200       123.2454 258.4575       155.7245 55.35989 13.21920 45.68692 16.07919 9.672970       20.81557 
1 1 1 -19 8  34 o 51.92939 11.39443 287.7976       98.26792 243.5614       117.8474 388.7498       178.0282 45.18867 13.90896 52.86833 17.20194 -7.679661      22.12161 
1 1 1 -19 9  1  o 110.6381 16.62153 1113.043       304.3271 0.000000       0.000000 1113.043       304.3271 ?        ?        110.6381 16.62153 0.000000       16.62153 
1 1 1 -19 9  2  o 71.49253 17.61375 475.6933       213.6376 98.71069       550.0594 542.6620       231.8380 64.64374 27.75092 76.27930 18.07501 -11.63557      33.11827 
1 1 1 -19 9  3  o 161.3725 5.135297 2233.003       141.5133 2040.186       196.0270 2442.853       204.5019 153.8839 7.459689 168.4557 7.109019 -14.57182      10.30462 
1 1 1 -19 9  4  o 58.81930 7.069766 301.9595       69.58870 244.2437       94.14730 371.4659       103.3172 52.04528 10.94045 64.80261 9.629117 -12.75733      14.57440 
1 1 1 -19 9  5  o 118.0855 5.154398 1195.704       103.9385 1218.169       138.9566 1167.171       156.6030 118.7976 6.879111 116.0636 7.949246 2.733986       10.51250 
1 1 1 -19 9  6  o 155.5496 4.844183 2073.748       128.6741 2096.217       173.1230 2046.015       192.3350 156.1550 6.492277 154.1345 7.307292 2.020477       9.774773 
1 1 1 -19 9  7  f 128.7701 4.607808 1420.689       101.3238 1363.903       142.6517 1478.508       143.9439 125.7615 6.666234 131.1511 6.427166 -5.389603      9.259975 
1 1 1 -19 9  8  o 223.7874 5.708204 4298.908       218.1408 5013.107       293.7468 3420.771       325.7202 241.3042 7.128635 198.6630 9.601205 42.64120       11.95829 
1 1 1 -19 9  9  o 28.09688 10.87074 45.00317       74.22358 56.98759       84.54823 4.726628       154.9965 30.49567 11.65253 34.64602 14.79817 -4.150351      18.83526 
1 1 1 -19 9  10 o 103.6443 5.799302 925.2872       102.2297 920.8015       128.0793 933.1615       169.6970 103.1252 7.320544 103.2755 9.737150 -0.1503296     12.18206 
1 1 1 -19 9  11 o 229.9578 5.710935 4540.914       224.2628 4734.874       302.7531 4305.091       333.8304 234.3152 7.566344 223.0497 8.764403 11.26555       11.57862 
1 1 1 -19 9  12 f 155.1431 5.587915 2066.698       148.0417 1866.689       192.6503 2355.127       231.3468 146.8787 7.707767 165.0813 8.206608 -18.20262      11.25869 
1 1 1 -19 9  13 o 91.41893 6.871135 723.8102       106.4825 688.2781       129.4593 798.1263       187.2252 88.76329 8.650730 94.78179 11.82466 -6.018501      14.65120 
1 1 1 -19 9  14 o 149.0700 7.933223 1925.759       201.2223 1645.316       592.4916 1962.323       213.9382 127.6475 27.95519 150.3591 8.365242 -22.71158      29.17996 
1 1 1 -19 9  15 o 121.1318 13.49059 1312.828       274.3154 1354.037       536.1990 1298.219       319.2579 115.4583 27.57494 119.3378 16.07509 -3.879532      31.91842 
1 1 1 -19 9  16 o 89.66158 21.39258 778.2462       322.9744 877.6306       439.7327 661.8311       475.9201 93.13078 26.42536 82.08109 28.15384 11.04968       38.61268 
1 1 1 -19 9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 9  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 9  19 o 181.0856 8.789107 2850.065       271.7883 0.000000       0.000000 2850.065       271.7883 ?        ?        181.0856 8.789107 0.000000       8.789107 
1 1 1 -19 9  20 o 93.15478 11.44426 775.4020       178.2228 0.000000       0.000000 775.4020       178.2228 ?        ?        93.15478 11.44426 0.000000       11.44426 
1 1 1 -19 9  21 o 110.5195 13.17431 1103.964       243.7388 0.000000       0.000000 1103.964       243.7388 ?        ?        110.5195 13.17431 0.000000       13.17431 
1 1 1 -19 9  22 o 162.4402 10.17819 2331.944       280.9102 0.000000       0.000000 2331.944       280.9102 ?        ?        162.4402 10.17819 0.000000       10.17819 
1 1 1 -19 9  23 o 105.9718 11.32571 1012.146       201.7808 0.000000       0.000000 1012.146       201.7808 ?        ?        105.9718 11.32571 0.000000       11.32571 
1 1 1 -19 9  24 o 56.45597 16.49496 312.4723       169.0021 0.000000       0.000000 312.4723       169.0021 ?        ?        56.45597 16.49496 0.000000       16.49496 
1 1 1 -19 9  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 9  26 o 18.87569 9.427785 -312.9449      124.8393 -863.3140      216.3742 -38.31738      152.8447 ?        ?        30.85032 13.87105 0.000000       13.87105 
1 1 1 -19 9  27 f 28.37106 12.64476 -21.61807      124.0541 1.475900       176.6443 -44.09235      174.2581 34.48623 15.24397 32.31173 14.64282 2.174507       21.13743 
1 1 1 -19 9  28 o 54.15742 12.81632 291.4354       116.6832 -28.55271      155.0071 709.8494       177.2506 30.87369 13.91696 85.58363 12.49656 -54.70994      18.70417 
1 1 1 -19 9  29 o 67.76001 9.639808 430.4790       108.3984 428.3157       159.5329 432.3344       147.7423 63.84667 14.90348 65.09647 13.72305 -1.249802      20.25922 
1 1 1 -19 9  30 o 48.91489 12.03567 243.5863       99.84789 217.5891       144.9011 267.0912       137.7803 44.69451 15.52310 49.28916 15.01566 -4.594646      21.59715 
1 1 1 -19 9  31 o 19.20484 9.311578 -128.4643      94.91090 -144.5675      122.1444 -103.9245      150.7831 22.04969 10.65997 26.29141 12.47354 -4.241720      16.40805 
1 1 1 -19 9  32 o 56.63502 10.22338 319.6962       95.23556 272.1408       124.1787 387.6145       148.4024 48.91983 14.09533 57.88439 14.91925 -8.964561      20.52468 
1 1 1 -19 9  33 o 24.20711 10.65215 9.585522       85.31903 -83.48534      105.7444 183.1893       144.4209 21.82122 10.37976 39.29909 15.17518 -17.47786      18.38547 
1 1 1 -19 10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 5  o 126.3419 20.94037 1497.165       435.9650 977.5269       703.6420 1820.936       555.4185 97.90150 34.19569 137.4536 24.56407 -39.55214      42.10390 
1 1 1 -19 10 6  o 102.4249 13.26791 937.4015       226.6118 1372.781       531.6639 840.7448       250.5066 117.4923 27.05742 96.02627 15.82820 21.46608       31.34702 
1 1 1 -19 10 7  f 80.22749 13.81447 582.6848       182.4313 1005.135       553.9115 531.2853       193.2110 99.25129 30.07854 76.04541 15.40635 23.20588       33.79458 
1 1 1 -19 10 8  o 64.35484 15.93395 383.7693       174.1810 435.0996       515.7439 377.1607       185.0541 74.06433 28.65541 63.70444 16.77824 10.35989       33.20605 
1 1 1 -19 10 9  o 139.0188 12.90407 1713.773       302.8454 1989.888       643.6809 1635.276       343.2044 141.4024 27.64779 134.8271 15.16990 6.575272       31.53610 
1 1 1 -19 10 10 o 54.57141 14.92236 273.5426       143.0583 160.1577       406.4630 289.5741       152.8376 59.22200 24.54362 56.08699 15.46009 3.135014       29.00695 
1 1 1 -19 10 11 o 98.54824 20.66316 924.2900       336.6237 649.7457       564.6047 1075.705       419.2976 83.19708 30.44603 104.8740 23.93987 -21.67696      38.73084 
1 1 1 -19 10 12 f 73.17534 16.35919 498.2964       199.2888 618.8497       507.3011 476.2971       216.7110 80.90184 28.96226 71.15082 17.86253 9.751022       34.02767 
1 1 1 -19 10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 17 o 184.0926 5.938161 2916.961       186.6768 2810.867       250.5014 3049.464       279.9478 180.0801 8.145964 187.3522 8.750168 -7.272110      11.95501 
1 1 1 -19 10 18 o 33.72671 12.48444 81.14222       95.37119 17.45794       120.3705 188.5422       156.3170 31.33359 13.19668 46.99634 16.13429 -15.66276      20.84389 
1 1 1 -19 10 19 f 79.22057 17.79447 598.5556       234.8458 0.000000       0.000000 598.5556       234.8458 ?        ?        79.22057 17.79447 0.000000       17.79447 
1 1 1 -19 10 20 o 46.53553 18.39102 137.8632       216.2146 0.000000       0.000000 137.8632       216.2146 ?        ?        46.53553 18.39102 0.000000       18.39102 
1 1 1 -19 10 21 o 140.5100 10.79429 1758.710       257.0223 0.000000       0.000000 1758.710       257.0223 ?        ?        140.5100 10.79429 0.000000       10.79429 
1 1 1 -19 10 22 o 99.18663 13.94181 915.4805       229.6228 0.000000       0.000000 915.4805       229.6228 ?        ?        99.18663 13.94181 0.000000       13.94181 
1 1 1 -19 10 23 o 127.5958 7.726436 1432.397       167.5581 1032.116       232.7304 1863.180       241.4350 105.2243 13.24544 144.2905 9.857513 -39.06619      16.51097 
1 1 1 -19 10 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 25 o 51.33944 13.34701 257.3271       118.1003 203.2774       175.3721 302.1796       159.7560 46.68510 16.98593 54.60510 16.06121 -7.919994      23.37700 
1 1 1 -19 10 26 o 37.88263 14.34002 118.5359       127.2940 155.0488       181.4596 83.15852       178.6159 43.05109 16.90079 38.66826 16.16781 4.382832       23.38878 
1 1 1 -19 10 27 o 68.10804 10.22963 435.1995       115.2995 519.8289       174.5972 369.7517       153.5410 71.30460 14.82255 59.68625 15.06353 11.61834       21.13334 
1 1 1 -19 10 28 o 34.05807 13.65479 83.37231       120.8662 515.8599       264.4337 -30.84411      135.8921 64.00243 20.97167 28.62514 12.95519 35.37729       24.65052 
1 1 1 -19 10 29 o 64.88557 13.54403 438.2863       145.2232 491.6916       269.2413 416.3742       172.4612 59.99355 21.13947 60.61495 16.30524 -0.6214027     26.69715 
1 1 1 -19 10 30 o 32.01068 13.17701 74.01840       116.0824 210.3615       260.8137 40.33767       129.6297 43.88597 18.97558 30.80525 13.34864 13.08072       23.20041 
1 1 1 -19 10 31 o 51.96240 15.29353 318.7639       144.8089 -35.29482      264.9062 469.6504       172.9337 35.12619 16.62681 62.72117 16.07264 -27.59498      23.12532 
1 1 1 -19 10 32 o 37.01244 14.61990 149.4910       136.5693 -236.0672      320.0398 235.3302       151.0087 32.43351 16.00552 43.30009 15.76079 -10.86658      22.46284 
1 1 1 -19 10 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 1  o 60.54077 6.827217 319.6048       69.34943 242.8603       85.97691 462.5143       117.3245 51.99735 10.04636 72.33590 9.746092 -20.33855      13.99699 
1 1 1 -19 11 2  o 118.9364 5.493261 1214.673       111.5699 1293.942       142.3843 1088.580       179.5785 122.3802 6.840547 111.5822 9.515416 10.79806       11.71905 
1 1 1 -19 11 3  o 102.3365 5.377173 901.4717       93.64009 828.9076       120.0352 1014.287       149.6688 97.79144 7.239401 108.0221 8.174178 -10.23067      10.91907 
1 1 1 -19 11 4  o 154.4122 4.881833 2044.751       128.7261 1880.787       181.3446 2211.277       182.7560 147.7146 7.189177 160.2717 6.677482 -12.55711      9.811882 
1 1 1 -19 11 5  o 101.6175 6.130815 890.9164       105.8888 932.6851       132.1880 816.1182       176.8938 103.7164 7.514454 96.12959 10.97250 7.586777       13.29898 
1 1 1 -19 11 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 12 o 85.12405 17.56981 678.2758       246.9327 0.000000       0.000000 678.2758       246.9327 ?        ?        85.12405 17.56981 0.000000       17.56981 
1 1 1 -19 11 13 o 83.17217 7.419466 602.1205       104.2722 687.5058       115.5837 228.8169       241.6774 88.85547 7.693382 53.88334 19.88800 34.97213       21.32418 
1 1 1 -19 11 14 o 36.16714 12.44092 106.6728       92.96407 150.8610       102.5146 -97.88240      220.5655 41.37097 13.01222 36.40574 16.48819 4.965229       21.00425 
1 1 1 -19 11 15 o 145.8818 6.424890 1834.521       160.0548 2123.371       197.4168 1280.485       273.4115 156.7099 7.377102 119.2217 13.67697 37.48819       15.53966 
1 1 1 -19 11 16 o 97.54426 6.757909 825.1589       111.8745 784.1575       140.1086 897.2889       185.8335 94.57496 8.775320 100.5076 11.00736 -5.932648      14.07723 
1 1 1 -19 11 17 o 92.85634 6.962873 749.3904       109.6045 672.7578       122.8568 1048.222       242.6084 87.61870 8.310497 107.5887 13.50237 -19.96999      15.85492 
1 1 1 -19 11 18 o 103.1362 7.112506 925.5013       124.5010 835.3116       145.3494 1173.990       241.2615 97.45925 8.829358 114.1110 12.59074 -16.65178      15.37804 
1 1 1 -19 11 19 o 63.55735 18.75393 394.0113       217.5076 0.000000       0.000000 394.0113       217.5076 ?        ?        63.55735 18.75393 0.000000       18.75393 
1 1 1 -19 11 20 o 82.51080 17.96408 668.9738       245.9369 0.000000       0.000000 668.9738       245.9369 ?        ?        82.51080 17.96408 0.000000       17.96408 
1 1 1 -19 11 21 o 105.3311 11.24667 1007.592       199.1662 0.000000       0.000000 1007.592       199.1662 ?        ?        105.3311 11.24667 0.000000       11.24667 
1 1 1 -19 11 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 24 o 101.7594 7.271585 916.9136       125.5264 1080.522       174.1394 739.9496       181.1078 109.2205 9.429091 88.46398 12.32328 20.75648       15.51680 
1 1 1 -19 11 25 o 47.57261 15.01368 228.2549       136.3689 541.6885       338.9420 167.7186       148.9569 65.66457 23.65588 42.57595 15.62954 23.08862       28.35283 
1 1 1 -19 11 26 f 50.88161 11.82186 253.5980       100.7592 216.4370       123.2657 328.4240       174.9140 46.14448 14.22876 54.99192 16.94834 -8.847443      22.12925 
1 1 1 -19 11 27 o 52.89259 10.47467 269.4903       91.26325 287.6712       117.9340 242.3499       144.0918 53.12960 13.08503 47.67111 15.47406 5.458488       20.26486 
1 1 1 -19 11 28 o 38.29754 12.55604 147.8790       94.78365 236.9742       115.7409 -33.54081      165.1588 47.27776 13.60391 30.59615 14.01415 16.68161       19.53107 
1 1 1 -19 11 29 o 41.18465 12.25573 177.6967       92.58070 280.1813       127.7771 64.43751       134.3261 50.21541 14.24341 32.53005 13.83225 17.68536       19.85462 
1 1 1 -19 11 30 o 24.80596 11.08925 -5.917485      96.18515 17.45116       118.3797 -51.31640      164.9997 28.28933 12.49326 29.01307 13.53781 -0.7237415     18.42155 
1 1 1 -19 11 31 o 73.27579 7.597275 503.8155       93.68346 501.8235       113.3798 508.1021       166.3238 71.36545 9.542441 65.46384 15.17426 5.901604       17.92530 
1 1 1 -19 11 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 12 1  o 123.3358 4.915959 1306.437       103.5379 1319.378       147.8423 1293.981       145.0471 123.3730 7.046637 122.1933 6.980155 1.179710       9.918551 
1 1 1 -19 12 2  o 128.3475 4.872627 1414.215       106.7954 1484.504       153.3410 1348.008       148.8233 130.9703 6.880304 124.7535 7.014262 6.216736       9.825398 
1 1 1 -19 12 3  o 49.12291 9.899809 217.6268       80.17577 220.1793       93.85320 210.7337       154.2337 49.14001 11.40431 48.91053 16.01589 0.2294846      19.66130 
1 1 1 -19 12 4  o 223.3796 5.987566 4292.830       228.3998 4105.759       310.7162 4512.731       336.8800 217.6814 8.358737 228.0977 8.648730 -10.41632      12.02784 
1 1 1 -19 12 5  o 80.79379 6.690423 566.2810       91.47618 565.2641       112.7200 568.2426       156.5556 80.37428 8.333748 79.62634 11.87683 0.7479401      14.50897 
1 1 1 -19 12 6  o 30.17854 10.98572 66.09046       73.36989 70.38907       84.44501 52.85109       148.1984 31.73160 11.74723 36.65350 14.96501 -4.921898      19.02496 
1 1 1 -19 12 7  o 182.9632 5.378805 2875.527       168.0550 2960.871       238.7984 2791.783       236.5489 185.1183 7.554055 179.7112 7.708038 5.407104       10.79248 
1 1 1 -19 12 8  o 187.3173 5.424140 3014.545       173.5045 3097.882       245.7794 2931.759       244.9674 189.3251 7.602130 184.1229 7.791094 5.202164       10.88547 
1 1 1 -19 12 9  o 169.7155 9.913658 2519.242       286.0648 0.000000       0.000000 2519.242       286.0648 ?        ?        169.7155 9.913658 0.000000       9.913658 
1 1 1 -19 12 10 o 134.3194 5.318253 1550.011       121.9859 1351.070       160.5326 1821.848       187.6531 124.7897 7.569026 144.9641 7.606991 -20.17440      10.73110 
1 1 1 -19 12 11 o 179.8275 5.897248 2782.688       181.0954 2885.573       233.0140 2625.751       287.7865 182.6944 7.468868 173.2594 9.766667 9.435074       12.29519 
1 1 1 -19 12 12 o 45.72038 11.83848 191.0693       93.15788 219.3133       102.5428 57.61223       222.9015 48.89933 12.29333 43.15020 18.05319 5.749130       21.84133 
1 1 1 -19 12 13 o 35.64647 11.21135 111.0414       76.10316 148.1757       81.40096 -146.7054      214.4561 40.44269 11.33260 34.02711 15.72404 6.415573       19.38229 
1 1 1 -19 12 14 o 30.98444 11.48222 67.70832       80.71815 24.52733       92.62737 203.9907       164.5557 28.44229 11.74615 48.48413 16.55568 -20.04185      20.29933 
1 1 1 -19 12 15 o 171.7037 6.218376 2544.476       182.3302 2708.704       226.5808 2242.747       307.1199 176.7264 7.507919 158.8490 11.39773 17.87744       13.64833 
1 1 1 -19 12 16 o 68.50500 7.928366 413.4420       91.03469 374.5010       96.52720 726.7026       273.7783 64.87922 8.950835 86.23472 19.09536 -21.35550      21.08910 
1 1 1 -19 12 17 o 140.1258 6.304638 1698.966       150.8621 1627.795       175.0161 1904.754       297.6020 136.5791 7.533110 145.3914 12.09638 -8.812286      14.25027 
1 1 1 -19 12 18 o 165.8233 6.064604 2380.477       171.7315 2529.104       216.8963 2130.750       281.1481 170.3244 7.457158 154.3189 10.73561 16.00549       13.07144 
1 1 1 -19 12 19 o 136.9333 6.224981 1627.540       145.5624 1639.063       174.7151 1601.393       263.1946 136.7191 7.512211 132.6684 11.73853 4.050751       13.93651 
1 1 1 -19 12 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 12 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 12 22 o 74.96086 7.151054 498.0778       90.42892 515.7633       107.0557 454.0337       168.9452 75.76985 8.416124 67.58234 15.02782 8.187508       17.22401 
1 1 1 -19 12 23 o 97.17455 6.546159 832.4666       107.9950 879.3628       136.7240 754.6707       176.0981 99.04118 8.156544 89.42506 11.82150 9.616119       14.36234 
1 1 1 -19 12 24 o 44.73016 11.65458 194.7267       89.91794 127.2684       113.1100 310.5598       148.2176 37.70514 13.65321 54.71893 15.27755 -17.01379      20.48935 
1 1 1 -19 12 25 o 82.09188 7.495597 606.3713       103.9181 614.6022       136.8837 595.1740       159.6551 81.01895 10.11411 78.07908 12.38783 2.939873       15.99229 
1 1 1 -19 12 26 o 34.63883 12.32525 111.0292       91.74104 28.10789       123.3164 213.8052       137.2882 30.34994 13.08545 44.96998 15.12307 -14.62004      19.99840 
1 1 1 -19 12 27 o 44.10619 11.67693 198.1668       89.33147 118.1529       105.7957 396.9209       166.7414 35.39991 13.14007 58.92135 16.10961 -23.52145      20.78896 
1 1 1 -19 12 28 o 77.66249 6.990415 550.3848       91.71435 630.7668       115.5766 413.6931       150.7167 82.07793 8.362787 60.89458 14.66805 21.18335       16.88455 
1 1 1 -19 12 29 o 23.33332 10.59709 -22.72494      91.88833 -162.1961      110.3258 293.1339       166.0280 19.98577 9.767370 48.41720 16.62757 -28.43143      19.28413 
1 1 1 -19 12 30 o 27.63328 11.58596 48.07427       92.10486 108.4561       116.2642 -53.68002      150.9278 33.52471 13.40950 27.27346 12.79744 6.251247       18.53616 
1 1 1 -19 13 1  o 112.1635 5.231272 1083.896       100.1984 1053.498       139.9137 1115.900       143.5604 109.8184 7.505738 113.0465 7.478873 -3.228195      10.59574 
1 1 1 -19 13 2  o 134.2756 5.200610 1552.539       119.2486 1530.304       165.1649 1576.750       172.3505 132.5708 7.324121 134.4981 7.534348 -1.927231      10.50758 
1 1 1 -19 13 3  o 109.3893 5.572001 1033.754       103.7403 999.7753       137.0559 1079.336       158.7436 107.0520 7.545531 110.9590 8.441141 -3.907036      11.32201 
1 1 1 -19 13 4  o 43.46447 10.06455 172.3039       73.23020 191.3808       88.88080 131.9817       129.2190 45.62952 11.43073 40.67264 14.61115 4.956882       18.55121 
1 1 1 -19 13 5  o 118.3760 6.223726 1212.559       125.3685 1230.125       148.4379 1168.852       234.1496 118.9250 7.345152 114.0975 12.20692 4.827522       14.24641 
1 1 1 -19 13 6  o 88.37393 6.511520 678.0545       97.57498 651.7747       118.3689 733.7759       172.3604 86.23514 8.134160 90.47910 11.40911 -4.243965      14.01186 
1 1 1 -19 13 7  o 111.3636 14.55900 1134.717       270.2425 0.000000       0.000000 1134.717       270.2425 ?        ?        111.3636 14.55900 0.000000       14.55900 
1 1 1 -19 13 8  o 116.1605 5.281389 1160.803       104.7631 1003.306       141.1732 1353.841       156.2927 107.2626 7.759679 124.7986 7.366417 -17.53600      10.69938 
1 1 1 -19 13 9  o 104.2789 6.331673 942.0267       112.2164 892.7547       141.8585 1024.410       183.4323 100.9806 8.299965 107.6022 10.10104 -6.621574      13.07365 
1 1 1 -19 13 10 o 158.1756 5.504195 2154.507       148.6741 2267.593       206.4617 2032.706       214.2693 161.6954 7.477218 152.6252 8.251795 9.070236       11.13557 
1 1 1 -19 13 11 o 43.60246 11.50698 174.6354       86.92842 221.8207       99.80350 26.32822       176.9389 49.00676 12.01767 37.40012 15.88859 11.60663       19.92163 
1 1 1 -19 13 12 o 34.04304 11.00657 100.4886       72.95242 129.5439       78.48582 -84.04539      197.7959 37.90137 11.28558 34.35329 15.58103 3.548073       19.23884 
1 1 1 -19 13 13 o 79.27063 7.116596 549.5500       95.30927 522.2883       104.3232 687.1691       234.3925 77.00829 8.052149 84.72864 16.79337 -7.720345      18.62403 
1 1 1 -19 13 14 o 20.02647 8.993493 -27.44635      64.03492 -6.133192      67.18605 -238.8008      211.5733 22.17900 9.610350 30.56603 14.57894 -8.387033      17.46151 
1 1 1 -19 13 15 o 86.80167 7.019853 659.4151       103.1631 725.1638       111.8127 283.1024       267.4989 90.97713 7.257481 56.13534 20.88280 34.84179       22.10797 
1 1 1 -19 13 16 o 77.09013 6.987052 521.6639       90.98086 521.9153       100.5647 520.5298       213.5455 76.86436 7.768196 72.35891 17.47839 4.505455       19.12692 
1 1 1 -19 13 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 13 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 13 19 o 161.4368 6.084252 2268.797       167.7303 2469.159       209.8590 1914.440       279.0876 167.6903 7.328545 144.4961 11.40319 23.19418       13.55508 
1 1 1 -19 13 20 o 149.3259 9.127774 2002.464       231.6389 0.000000       0.000000 2002.464       231.6389 ?        ?        149.3259 9.127774 0.000000       9.127774 
1 1 1 -19 13 21 o 71.82328 12.26111 492.8007       144.9843 687.1782       312.2160 439.3612       163.7056 76.14433 22.46921 66.14267 14.85672 10.00166       26.93673 
1 1 1 -19 13 22 o 165.0958 5.546757 2378.723       156.3785 2493.500       193.5544 2162.968       265.3734 168.1672 6.739998 153.2727 10.19708 14.89453       12.22326 
1 1 1 -19 13 23 o 43.62291 11.68430 186.3235       88.78626 109.8368       111.6176 318.1008       146.5075 35.92414 13.46467 55.20104 15.10394 -19.27689      20.23429 
1 1 1 -19 13 24 o 24.75913 10.83636 -1.469439      87.25031 84.50578       102.4426 -228.5767      166.4983 32.87893 12.75706 24.98278 12.16318 7.896145       17.62627 
1 1 1 -19 13 25 o 30.66590 11.64954 77.11519       84.19735 214.5765       107.5936 -140.0560      135.2376 45.40588 13.13121 23.99797 11.50273 21.40791       17.45684 
1 1 1 -19 13 26 o 34.15261 11.81013 113.6646       83.82940 172.7571       106.9712 19.61692       134.9506 40.49656 13.34188 30.25544 13.35143 10.24112       18.87502 
1 1 1 -19 13 27 o 43.37005 10.67121 190.3913       78.49280 242.4958       96.22367 86.76469       135.7000 48.32070 11.77020 33.82071 14.11245 14.49999       18.37659 
1 1 1 -19 13 28 o 41.25759 11.48466 179.1051       83.89002 121.3953       96.11106 363.7285       171.9064 34.56288 12.57476 53.39762 16.85733 -18.83474      21.03079 
1 1 1 -19 13 29 o 70.73340 7.239169 467.2890       86.20896 524.8726       100.7009 309.2933       166.8041 74.24779 8.072396 48.02628 16.65648 26.22150       18.50951 
1 1 1 -19 14 1  o 157.7372 4.969069 2145.951       133.8477 2198.392       205.9058 2107.576       176.1394 158.5894 7.603131 155.7146 6.624073 2.874786       10.08395 
1 1 1 -19 14 2  o 89.46730 6.649923 699.0730       100.8712 843.4182       136.1278 523.3007       150.2176 97.76145 8.230699 75.35165 12.08246 22.40980       14.61951 
1 1 1 -19 14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 8  o 99.13403 6.583005 856.3972       110.8083 868.1480       126.0587 816.4553       232.4091 99.52785 7.471487 92.93620 15.16749 6.591644       16.90786 
1 1 1 -19 14 9  o 177.0491 5.170340 2703.906       156.3201 3039.418       233.4018 2430.989       210.5066 186.7635 7.318302 166.9984 7.381618 19.76509       10.39451 
1 1 1 -19 14 10 o 25.76122 10.92712 8.706575       83.47431 1.870781       88.54932 63.26597       250.1644 25.95774 11.13863 44.12591 18.82247 -18.16817      21.87132 
1 1 1 -19 14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 14 16 o 63.28250 8.022894 358.3281       84.75246 305.7111       97.73507 517.8557       170.1787 57.52508 10.32887 73.25998 14.11498 -15.73490      17.49052 
1 1 1 -19 14 17 o 144.4622 5.697131 1814.324       140.5440 1763.861       170.7171 1920.455       247.5806 141.7663 7.051836 145.6461 10.01529 -3.879776      12.24886 
1 1 1 -19 14 18 o 128.2973 5.770634 1434.006       126.4279 1559.295       159.6656 1223.406       207.0068 132.9605 7.057401 115.4030 10.62355 17.55754       12.75409 
1 1 1 -19 14 19 o 21.88056 9.403423 1.907608       63.28175 37.39682       70.27919 -150.1593      145.4775 26.10453 10.43127 25.49662 12.14111 0.6079063      16.00681 
1 1 1 -19 14 20 o 26.50405 10.24578 47.04860       65.89124 33.61475       71.18297 127.4572       174.1514 25.76632 10.42649 40.74422 16.37113 -14.97791      19.40942 
1 1 1 -19 14 21 o 97.05171 10.83626 886.1934       176.5250 1412.827       377.9411 739.2495       199.6392 110.8326 20.73103 85.94420 14.09127 24.88837       25.06670 
1 1 1 -19 14 22 o 30.62409 10.96822 81.09463       72.76470 80.63086       84.99976 82.36675       140.7767 31.37049 11.75156 35.29060 14.51722 -3.920101      18.67750 
1 1 1 -19 14 23 o 49.82943 9.837953 238.6161       80.74183 355.1470       97.60176 -14.03736      143.7142 61.15405 9.667457 29.83280 13.42849 31.32125       16.54642 
1 1 1 -19 14 24 o 25.82948 10.93758 24.78437       83.40888 -6.007358      97.03353 111.9198       163.2309 25.28225 11.23072 37.27588 15.50960 -11.99363      19.14880 
1 1 1 -19 14 25 o 24.86022 10.69563 16.20937       82.03017 85.06840       95.65488 -175.1855      159.4747 31.65336 12.31444 25.00512 12.11090 6.648241       17.27193 
1 1 1 -19 14 26 o 42.07743 11.23090 183.0008       82.20464 211.8809       103.5352 133.7421       135.2167 44.20439 12.90935 36.80154 14.54391 7.402847       19.44676 
1 1 1 -19 14 27 o 41.66655 10.85416 180.8202       78.00147 241.1833       92.24532 29.36950       146.1147 47.83687 11.44553 30.56140 13.66452 17.27547       17.82469 
1 1 1 -19 14 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 15 1  o 94.76513 6.063906 784.4929       97.61568 738.7383       129.9066 843.8356       147.9444 90.98433 8.457911 97.00042 9.035417 -6.016090      12.37639 
1 1 1 -19 15 2  o 93.78939 5.987666 767.6243       95.39838 921.0269       133.1439 605.7853       136.7560 102.0775 7.694744 81.66816 10.01594 20.40936       12.63044 
1 1 1 -19 15 3  o 56.80953 18.43330 326.3669       204.4805 0.000000       0.000000 326.3669       204.4805 ?        ?        56.80953 18.43330 0.000000       18.43330 
1 1 1 -19 15 4  o 26.36691 10.11969 44.91098       63.94360 84.21058       76.40473 -46.96830      116.8248 31.96416 11.26136 26.60803 12.02987 5.356131       16.47835 
1 1 1 -19 15 5  o 52.11676 8.290012 244.8167       71.30823 215.0175       87.14991 305.1793       124.0363 47.96990 10.88806 56.50208 13.10885 -8.532177      17.04088 
1 1 1 -19 15 6  o 87.50982 6.032655 668.1401       89.59965 700.3286       113.1922 614.1283       146.6257 89.08949 7.510295 82.02107 10.72535 7.068413       13.09342 
1 1 1 -19 15 7  o 53.78702 9.130551 263.0046       80.86546 207.0254       99.52335 371.7674       138.7242 46.73886 12.30172 62.37120 13.42238 -15.63234      18.20694 
1 1 1 -19 15 8  o 77.12012 6.199405 520.2741       80.95326 527.8560       102.4100 507.6451       132.1718 77.12357 7.886909 74.46586 10.70141 2.657707       13.29374 
1 1 1 -19 15 9  o 21.90936 9.804175 -26.47351      75.38548 45.27150       81.11968 -480.7973      204.1330 28.39646 11.25140 24.37377 12.15518 4.022690       16.56328 
1 1 1 -19 15 10 o 40.22903 10.15529 150.6567       69.77251 130.9610       76.71954 244.8731       167.7967 37.62340 11.14764 50.30720 16.71651 -12.68380      20.09258 
1 1 1 -19 15 11 o 47.14617 10.24089 206.8327       80.08970 326.9443       93.54505 -122.9334      154.9999 59.89243 9.460487 27.82774 13.02919 32.06469       16.10157 
1 1 1 -19 15 12 o 92.66226 6.030902 750.3112       94.91065 839.5570       116.1146 570.6450       164.7503 97.65697 7.009391 77.62202 12.88064 20.03495       14.66432 
1 1 1 -19 15 13 o 34.87238 11.44999 109.2565       78.80959 174.0151       84.27429 -342.0566      222.4770 42.85505 11.33963 28.45055 13.89706 14.40450       17.93643 
1 1 1 -19 15 14 o 127.0542 6.106509 1408.589       132.4902 1514.516       159.4322 1172.173       238.1836 131.0469 7.151415 111.4454 12.74465 19.60150       14.61400 
1 1 1 -19 15 15 o 60.89620 7.982336 333.9633       81.00940 356.8103       94.30152 269.6210       158.2532 62.51314 9.100870 51.56691 16.15878 10.94622       18.54540 
1 1 1 -19 15 16 o 100.0333 6.034996 877.9163       102.6090 884.3548       125.3288 864.8264       178.7004 99.72997 7.412053 96.34177 11.06263 3.388199       13.31616 
1 1 1 -19 15 17 o 33.31009 10.91900 101.1276       71.68037 173.7041       78.23079 -278.6185      178.9478 42.61407 10.75097 25.41846 12.42601 17.19560       16.43134 
1 1 1 -19 15 18 o 74.04505 7.089341 489.7583       88.54469 500.1472       100.3522 453.2397       188.1475 74.37994 8.028051 65.05875 16.81371 9.321190       18.63197 
1 1 1 -19 15 19 f 61.80315 7.403578 345.0474       76.58127 298.0714       88.81997 481.1440       151.1807 56.37412 9.568429 69.45360 13.22987 -13.07948      16.32741 
1 1 1 -19 15 20 o 21.98205 9.222619 14.29581       58.42437 19.83148       64.51171 -10.95364      137.7778 23.37211 9.739604 29.66927 13.26707 -6.297159      16.45828 
1 1 1 -19 15 21 o 82.76065 10.31532 654.8238       142.6189 903.1550       311.4639 588.9425       160.4254 83.18511 21.69901 76.40041 12.74535 6.784698       25.16528 
1 1 1 -19 15 22 f 62.85779 6.854312 358.6513       72.38148 387.8620       83.23489 268.0414       146.5960 64.93395 7.653412 48.69154 15.58784 16.24242       17.36535 
1 1 1 -19 15 23 o 22.30915 9.364405 17.97949       60.28218 15.37309       67.80932 27.80306       131.6446 23.08726 9.822681 30.33336 13.29249 -7.246101      16.52802 
1 1 1 -19 15 24 o 35.34032 10.36558 125.3180       66.62381 137.9998       73.07790 62.88680       162.1427 36.84749 10.86985 33.86388 14.79805 2.983604       18.36126 
1 1 1 -19 15 25 o 101.3259 5.739951 921.2515       98.91051 963.8486       115.5737 804.6476       191.2163 102.8399 6.616165 86.11500 13.44215 16.72495       14.98216 
1 1 1 -19 15 26 o 61.00686 7.559075 350.5814       77.06335 380.2185       84.63873 206.8963       186.3619 63.20069 8.023075 40.75772 16.72725 22.44297       18.55183 
1 1 1 -19 16 1  o 34.90765 15.39709 6.763873       179.2625 0.000000       0.000000 6.763873       179.2625 ?        ?        34.90765 15.39709 0.000000       15.39709 
1 1 1 -19 16 2  o 137.2683 5.008039 1634.961       117.3924 1718.579       176.1290 1568.122       157.4695 139.2257 7.435040 133.2925 6.942142 5.933212       10.17218 
1 1 1 -19 16 3  o 111.0477 5.259100 1071.133       99.72929 1030.975       143.2798 1108.872       138.8992 107.5747 7.853890 111.8904 7.309676 -4.315735      10.72916 
1 1 1 -19 16 4  o 62.31477 8.516612 351.6628       88.25489 383.7947       118.7842 312.0674       131.8598 63.85383 11.30741 56.25153 13.82520 7.602303       17.86039 
1 1 1 -19 16 5  o 121.1124 4.828292 1270.034       99.85825 1257.284       146.2569 1281.167       136.6716 119.2914 7.213610 120.7229 6.655303 -1.431480      9.814745 
1 1 1 -19 16 6  o 33.74014 10.04054 105.0850       62.13748 64.93118       74.88319 193.8588       111.3430 29.50308 11.03439 44.73564 13.46947 -15.23256      17.41219 
1 1 1 -19 16 7  o 27.58825 10.67207 49.89147       71.52560 101.6059       85.48484 -70.81893      130.6037 34.21896 11.92088 26.90965 12.37579 7.309313       17.18335 
1 1 1 -19 16 8  o 138.2953 5.312139 1661.100       125.4523 1706.128       173.9240 1612.265       181.1279 138.9076 7.358387 134.6624 7.911320 4.245209       10.80439 
1 1 1 -19 16 9  o 30.94188 10.32332 84.24968       63.96914 121.9205       71.12934 -75.10716      146.2957 36.13036 10.74035 28.44674 13.08843 7.683628       16.93110 
1 1 1 -19 16 10 o 115.3305 5.638858 1158.547       111.0548 1184.086       144.9018 1122.188       172.8891 115.5758 7.380364 111.4000 9.169694 4.175819       11.77086 
1 1 1 -19 16 11 o 73.24905 7.845151 481.1636       96.60445 486.1345       105.0253 453.8409       246.2268 73.30821 8.550202 63.59064 20.18550 9.717575       21.92169 
1 1 1 -19 16 12 o 35.19402 10.60025 115.8167       68.95072 94.73721       81.84984 167.3365       127.9603 33.10786 11.65666 42.07311 14.58890 -8.965244      18.67388 
1 1 1 -19 16 13 o 88.84842 6.037373 694.1870       91.05740 723.3698       108.2394 623.5253       168.4278 90.21992 7.082474 80.37985 12.69182 9.840073       14.53423 
1 1 1 -19 16 14 o 21.52405 8.977134 13.54776       54.87289 -3.321146      59.61011 107.2043       140.4577 20.76559 9.025104 37.51994 14.82460 -16.75435      17.35572 
1 1 1 -19 16 15 o 91.38795 6.910903 743.6992       107.0543 902.0439       138.9591 512.4948       167.9126 99.86764 8.221206 71.10060 14.32468 28.76704       16.51620 
1 1 1 -19 16 16 o 33.46105 11.45725 102.5313       78.81176 45.86370       95.52203 223.3549       139.4800 29.24301 11.98556 46.35176 15.23317 -17.10875      19.38306 
1 1 1 -19 16 17 o 56.07574 8.792817 292.7625       81.43002 379.4141       97.06741 86.91328       149.6098 63.74911 9.181377 36.01423 14.90512 27.73488       17.50600 
1 1 1 -19 16 18 o 24.75751 9.768576 39.20909       60.90979 33.80919       68.02676 61.04089       136.7828 25.03657 10.17103 33.30162 14.04882 -8.265055      17.34414 
1 1 1 -19 16 19 o 87.08969 6.110713 676.4392       90.30294 677.8282       108.5267 673.3130       162.8091 86.30994 7.435906 82.26485 11.93809 4.045082       14.06452 
1 1 1 -19 16 20 o 22.93893 9.285219 28.78875       56.47126 15.74323       62.20110 89.97082       134.7037 22.43723 9.470088 34.47713 14.19373 -12.03990      17.06296 
1 1 1 -19 16 21 o 37.16434 14.90683 127.5875       144.1177 -205.8144      301.8492 226.0298       164.0200 33.96443 16.49948 44.38121 16.38341 -10.41677      23.25186 
1 1 1 -19 16 22 o 15.99022 7.623872 -64.38025      57.74214 -70.65612      62.11270 -24.43489      156.7028 16.46298 7.865264 29.54338 13.57558 -13.08039      15.68945 
1 1 1 -19 16 23 o 15.19660 7.192400 -49.05317      49.54192 -53.84644      52.24463 -6.288196      156.0521 15.45252 7.334435 29.82248 13.64600 -14.36996      15.49217 
1 1 1 -19 16 24 o 41.61679 9.240740 172.5186       63.96066 145.0151       72.70065 266.7204       134.5467 37.24926 10.80020 46.89413 14.92517 -9.644875      18.42295 
1 1 1 -19 17 1  o 70.13651 7.228978 442.5658       85.34020 430.8765       112.1608 458.6374       131.5152 67.68403 10.00564 68.83192 11.60135 -1.147888      15.32005 
1 1 1 -19 17 2  o 28.25805 10.62343 61.39569       69.58423 5.454145       90.29005 143.2205       109.1981 25.70587 11.13973 38.74094 13.47451 -13.03507      17.48302 
1 1 1 -19 17 3  o 58.13861 7.845744 307.7984       75.90405 251.0519       101.4307 380.0224       114.4302 50.45392 11.95567 62.94849 11.04818 -12.49457      16.27883 
1 1 1 -19 17 4  o 21.18086 9.391113 -13.81445      67.53945 -29.96390      82.59225 18.78298       117.3416 22.41222 10.12555 29.59195 12.76156 -7.179722      16.29061 
1 1 1 -19 17 5  o 54.22585 9.980004 277.8274       89.00901 290.6057       113.5260 257.4395       143.3989 54.10898 12.53266 49.59295 15.35590 4.516037       19.82098 
1 1 1 -19 17 6  o 32.16799 10.98130 93.11839       72.39777 116.6264       89.51501 48.66034       123.1015 35.54000 12.20895 32.05578 13.41425 3.484219       18.13837 
1 1 1 -19 17 7  o 80.86458 6.466413 580.3433       88.54736 617.6498       116.6968 529.7147       135.9453 82.38902 8.412469 74.66644 10.99076 7.722572       13.84075 
1 1 1 -19 17 8  o 55.61028 8.519706 284.7162       78.32826 334.3911       98.45215 199.0463       129.2917 59.57832 10.03340 44.37481 14.67027 15.20351       17.77318 
1 1 1 -19 17 9  o 131.1304 5.094140 1499.490       114.0712 1397.655       153.8003 1624.002       170.0653 125.1007 7.230211 134.7213 7.420883 -9.620628      10.36077 
1 1 1 -19 17 10 o 17.30999 7.994574 -38.31782      55.32370 -76.24804      61.25506 129.5757       128.8743 16.29520 7.792239 38.21322 14.43749 -21.91801      16.40610 
1 1 1 -19 17 11 o 23.75548 9.467086 32.19693       57.73793 30.88781       63.86488 38.05444       135.0919 24.40587 9.875994 32.21699 13.78940 -7.811113      16.96121 
1 1 1 -19 17 12 o 53.79620 8.683038 269.0848       77.05098 297.4275       90.87717 196.6128       145.3182 55.98925 9.865345 43.79556 15.51981 12.19369       18.38993 
1 1 1 -19 17 13 o 60.28055 8.800049 338.1250       87.91698 347.8186       93.15232 259.0858       265.9940 60.90081 9.247860 48.78065 19.99777 12.12016       22.03256 
1 1 1 -19 17 14 o 20.42135 9.498734 -55.87166      80.21356 -93.72752      100.3663 11.05887       133.4547 21.54572 10.20887 30.22214 13.31001 -8.676411      16.77431 
1 1 1 -19 17 15 o 36.77879 11.82484 133.5918       84.29198 152.0815       106.1990 102.1110       138.5728 38.91451 13.29992 35.92347 14.54372 2.991039       19.70806 
1 1 1 -19 17 16 o 65.84833 8.746634 405.8728       95.91943 484.7320       118.1292 253.2533       164.3372 71.13457 10.00087 47.23158 16.52423 23.90300       19.31496 
1 1 1 -19 17 17 o 47.88975 11.20714 230.4608       90.02719 223.6071       105.9382 248.2762       170.8000 46.12621 12.92937 46.47401 16.78534 -0.3478012     21.18765 
1 1 1 -19 17 18 o 25.64238 10.80262 27.18323       80.69307 15.01072       92.67258 65.34692       164.0916 26.05563 11.28852 34.57735 15.00086 -8.521721      18.77382 
1 1 1 -19 17 19 o 64.54086 8.115056 389.9344       87.46184 393.3228       109.3125 383.9061       145.8049 63.04643 10.52430 58.55486 14.62495 4.491570       18.01805 
1 1 1 -19 17 20 o 37.76981 11.03099 147.1126       75.59527 166.0705       91.28635 105.7395       134.8559 39.49365 12.25577 34.69160 14.23246 4.802048       18.78209 
1 1 1 -19 17 21 o 30.33340 11.50484 84.16126       82.03616 191.1209       95.31931 -221.3905      161.1066 41.88264 12.42936 23.54893 11.56915 18.33371       16.98041 
1 1 1 -19 18 1  o 23.90270 10.25507 11.25739       75.03580 21.91548       105.5876 0.3829910      106.6537 28.10651 12.11329 26.88683 11.86691 1.219677       16.95746 
1 1 1 -19 18 2  o 60.07774 8.491303 335.6210       84.68685 520.0241       119.8292 151.6107       119.7015 74.13943 9.697197 39.12024 14.06179 35.01918       17.08126 
1 1 1 -19 18 3  o 44.57932 10.95197 196.5228       82.77306 266.4883       110.8718 108.4243       124.4124 50.96573 12.76635 35.77047 14.00846 15.19526       18.95301 
1 1 1 -19 18 4  o 26.12263 10.63098 37.35719       74.48457 -36.99699      95.15695 154.9865       119.6866 23.52243 10.72186 39.54607 14.07717 -16.02365      17.69534 
1 1 1 -19 18 5  o 22.62592 9.763650 4.811429       68.77425 -20.39330      83.50945 57.93958       121.2431 22.93418 10.28685 32.03224 13.35060 -9.098059      16.85401 
1 1 1 -19 18 6  o 81.17739 6.132298 586.1282       84.38090 534.4302       114.9466 646.5454       124.2623 75.73997 9.067554 83.54188 8.844820 -7.801910      12.66694 
1 1 1 -19 18 7  o 67.77533 7.375103 417.0784       83.97969 498.6282       106.1121 280.3751       137.3862 73.39863 8.630762 51.02173 14.86225 22.37690       17.18652 
1 1 1 -19 18 8  o 21.92469 9.286012 11.62691       60.14126 17.52632       67.76394 -10.25864      130.5188 23.52614 9.904640 28.83493 12.90206 -5.308794      16.26545 
1 1 1 -19 18 9  o 58.51096 8.233829 316.9506       79.99403 418.9642       100.2238 137.8962       132.7805 66.92640 8.997355 38.36342 14.61609 28.56298       17.16340 
1 1 1 -19 18 10 o 41.64342 10.04384 169.0356       70.59734 238.5561       89.15046 52.12938       115.6075 49.17490 10.90246 31.04496 12.99610 18.12993       16.96356 
1 1 1 -19 18 11 o 84.02054 5.963832 628.0800       85.01237 509.0652       112.2811 787.9578       130.1368 73.64573 9.123344 92.45203 8.332470 -18.80630      12.35579 
1 1 1 -19 18 12 o 45.63886 9.476940 200.7362       71.44349 188.5229       84.42596 231.5426       134.0848 43.28277 11.30063 46.01070 14.92661 -2.727928      18.72186 
1 1 1 -19 18 13 o 41.70387 10.93176 174.4738       78.80000 197.3612       94.98755 123.9554       141.1215 43.69681 12.24097 37.14020 14.80086 6.556606       19.20694 
1 1 1 -19 18 14 o 24.83541 10.52090 22.06380       77.22488 49.20148       84.50179 -115.4540      190.2213 27.83386 11.32489 29.41017 13.96973 -1.576309      17.98350 
1 1 1 -19 18 15 o 37.98073 12.17352 149.0398       89.38892 149.0398       89.38892 0.000000       0.000000 37.98073 12.17352 ?        ?        0.000000       12.17352 
1 1 1 -19 18 16 o 55.58775 9.157561 298.1347       83.90055 297.0666       95.94875 301.6045       172.9373 54.37814 10.71376 49.14398 16.96471 5.234158       20.06454 
1 1 1 -19 18 17 o 32.47905 11.21795 104.2665       75.62259 52.83526       81.67812 413.0449       200.1317 27.54850 11.16134 55.44852 18.24820 -27.90002      21.39094 
1 1 1 -19 18 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 19 7  f 54.01525 12.24633 302.0240       110.3556 270.6353       131.0426 378.5711       204.6399 49.27458 14.56151 54.27506 18.46264 -5.000481      23.51397 
1 1 1 -19 19 8  o 51.55296 10.82132 265.9724       92.23016 404.8856       127.1701 111.8274       133.9610 62.65902 12.32413 35.65995 14.34773 26.99907       18.91406 
1 1 1 -19 19 9  o 44.23323 10.08700 193.9832       74.50311 240.5424       95.80540 122.7484       118.5040 48.29110 11.73332 35.82692 13.77025 12.46418       18.09118 
1 1 1 -19 19 10 o 53.17958 11.32696 287.5656       99.71252 199.8173       111.8061 628.6292       220.4266 42.84192 13.60236 71.12899 18.10206 -28.28708      22.64308 
1 1 1 -18 0  1  o 191.8094 6.776575 3158.408       221.3354 3158.408       221.3354 3158.408       221.3354 191.8094 6.776575 191.8094 6.776575 -0.000000      0.000000 
1 1 1 -18 0  2  o 417.0166 11.37556 14947.38       808.7170 14947.38       808.7170 14947.38       808.7170 417.0166 11.37556 417.0166 11.37556 -0.000000      0.000000 
1 1 1 -18 0  3  o 137.5897 6.863652 1630.848       160.3507 1630.848       160.3507 1630.848       160.3507 137.5897 6.863652 137.5897 6.863652 0.000000       0.000000 
1 1 1 -18 0  4  o 32.54612 15.66673 133.7910       100.8426 133.7910       100.8426 133.7910       100.8426 32.54612 15.66673 32.54612 15.66673 0.000000       0.000000 
1 1 1 -18 0  5  o 188.5107 16.48644 3126.936       521.3817 3126.936       521.3817 3126.936       521.3817 188.5107 16.48644 188.5107 16.48644 -0.000000      0.000000 
1 1 1 -18 0  6  o 40.56282 18.04118 204.0723       132.2787 204.0723       132.2787 204.0723       132.2787 40.56282 18.04118 40.56282 18.04118 -0.000000      0.000000 
1 1 1 -18 0  7  o 222.0006 26.43606 4462.704       964.6913 4462.704       964.6913 4462.704       964.6913 222.0006 26.43606 222.0006 26.43606 0.000000       0.000000 
1 1 1 -18 0  8  o 138.5963 23.03043 1791.288       499.8181 1791.288       499.8181 1791.288       499.8181 138.5963 23.03043 138.5963 23.03043 -0.000000      0.000000 
1 1 1 -18 0  9  o 34.99252 19.68044 141.4277       178.4384 141.4277       178.4384 141.4277       178.4384 34.99252 19.68044 34.99252 19.68044 -0.000000      0.000000 
1 1 1 -18 0  10 o 136.0752 22.63959 1727.391       482.2910 1727.391       482.2910 1727.391       482.2910 136.0752 22.63959 136.0752 22.63959 -0.000000      0.000000 
1 1 1 -18 0  11 o 66.88696 23.95762 510.8243       250.0673 510.8243       250.0673 510.8243       250.0673 66.88696 23.95762 66.88696 23.95762 0.000000       0.000000 
1 1 1 -18 0  12 o 40.56553 21.80238 203.9120       208.4528 203.9120       208.4528 203.9120       208.4528 40.56553 21.80238 40.56553 21.80238 0.000000       0.000000 
1 1 1 -18 0  13 o 227.1328 26.90759 4696.076       1005.098 4696.076       1005.098 4696.076       1005.098 227.1328 26.90759 227.1328 26.90759 0.000000       0.000000 
1 1 1 -18 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  16 o 8.094005 5.922462 -129.8318      51.42013 -129.8318      51.42013 -129.8318      51.42013 8.094005 5.922462 8.094005 5.922462 -0.000000      0.000000 
1 1 1 -18 0  17 o 157.1974 23.01968 2296.759       579.1637 2296.759       579.1637 2296.759       579.1637 157.1974 23.01968 157.1974 23.01968 -0.000000      0.000000 
1 1 1 -18 0  18 o 272.4783 30.65376 6929.052       1379.895 6929.052       1379.895 6929.052       1379.895 272.4783 30.65376 272.4783 30.65376 -0.000000      0.000000 
1 1 1 -18 0  19 o 214.4497 8.645708 3966.094       315.4431 3966.094       315.4431 3966.094       315.4431 214.4497 8.645708 214.4497 8.645708 0.000000       0.000000 
1 1 1 -18 0  20 o 30.57320 16.07594 118.0896       111.2500 118.0896       111.2500 118.0896       111.2500 30.57320 16.07594 30.57320 16.07594 0.000000       0.000000 
1 1 1 -18 0  21 o 334.6229 11.03226 9691.788       628.8561 9691.788       628.8561 9691.788       628.8561 334.6229 11.03226 334.6229 11.03226 0.000000       0.000000 
1 1 1 -18 0  22 o 49.93770 19.09844 295.8135       153.6715 295.8135       153.6715 295.8135       153.6715 49.93770 19.09844 49.93770 19.09844 0.000000       0.000000 
1 1 1 -18 0  23 o 25.37704 15.96185 31.45419       145.2411 31.45419       145.2411 31.45419       145.2411 25.37704 15.96185 25.37704 15.96185 -0.000000      0.000000 
1 1 1 -18 0  24 o 60.93984 17.76262 396.5605       160.4883 396.5605       160.4883 396.5605       160.4883 60.93984 17.76262 60.93984 17.76262 0.000000       0.000000 
1 1 1 -18 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  26 o 59.47556 23.72987 437.6395       233.3369 437.6395       233.3369 437.6395       233.3369 59.47556 23.72987 59.47556 23.72987 0.000000       0.000000 
1 1 1 -18 0  27 o 26.91953 17.14059 26.68323       173.3953 26.68323       173.3953 26.68323       173.3953 26.91953 17.14059 26.91953 17.14059 0.000000       0.000000 
1 1 1 -18 0  28 o 84.32209 16.41301 692.6813       210.6525 692.6813       210.6525 692.6813       210.6525 84.32209 16.41301 84.32209 16.41301 -0.000000      0.000000 
1 1 1 -18 0  29 o 97.53726 14.74958 897.2435       229.0507 897.2435       229.0507 897.2435       229.0507 97.53726 14.74958 97.53726 14.74958 -0.000000      0.000000 
1 1 1 -18 0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  31 f 20.14666 13.80330 -81.73965      151.5572 -81.73965      151.5572 -81.73965      151.5572 20.14666 13.80330 20.14666 13.80330 -0.000000      0.000000 
1 1 1 -18 0  32 o 242.3781 8.868496 5181.625       365.9520 5181.625       365.9520 5181.625       365.9520 242.3781 8.868496 242.3781 8.868496 0.000000       0.000000 
1 1 1 -18 0  33 o 35.23948 16.90987 173.4259       117.3878 173.4259       117.3878 173.4259       117.3878 35.23948 16.90987 35.23948 16.90987 -0.000000      0.000000 
1 1 1 -18 0  34 o 71.89050 11.31026 498.9137       128.5799 498.9137       128.5799 498.9137       128.5799 71.89050 11.31026 71.89050 11.31026 0.000000       0.000000 
1 1 1 -18 0  35 o 33.48436 19.36942 179.3083       179.8481 179.3083       179.8481 179.3083       179.8481 33.48436 19.36942 33.48436 19.36942 0.000000       0.000000 
1 1 1 -18 0  36 o 23.13171 15.08994 29.09586       145.4444 29.09586       145.4444 29.09586       145.4444 23.13171 15.08994 23.13171 15.08994 -0.000000      0.000000 
1 1 1 -18 0  37 o 18.14955 12.33564 -30.27647      115.9307 -30.27647      115.9307 -30.27647      115.9307 18.14955 12.33564 18.14955 12.33564 0.000000       0.000000 
1 1 1 -18 1  1  o 307.3969 6.015682 8090.218       315.7812 8430.913       443.6837 7740.472       449.5379 313.4177 8.289877 300.2177 8.768557 13.19998       12.06688 
1 1 1 -18 1  2  o 403.6414 7.435929 13965.00       512.5461 13392.85       719.5204 14554.43       730.2990 394.4785 10.68114 411.3151 10.39739 -16.83655      14.90612 
1 1 1 -18 1  3  o 129.3164 5.460190 1430.630       120.5766 1423.332       159.2726 1440.427       184.5480 128.6853 7.277695 129.3168 8.402606 -0.6315613     11.11614 
1 1 1 -18 1  4  o 135.3984 6.347609 1569.254       146.7661 1556.496       162.8054 1624.601       339.0947 134.6180 7.107316 136.2365 14.81435 -1.618484      16.43104 
1 1 1 -18 1  5  o 138.8836 6.630118 1651.297       157.2440 1758.769       183.2401 1351.079       306.2610 143.0812 7.526016 124.1449 14.73408 18.93628       16.54491 
1 1 1 -18 1  6  o 158.4358 6.905046 2149.318       186.8193 2181.296       212.9370 2042.422       389.3212 159.5470 7.815568 152.9211 15.10613 6.625916       17.00819 
1 1 1 -18 1  7  o 195.1967 13.32925 3301.901       441.6476 3211.447       762.9847 3347.480       541.6068 189.3646 24.14411 195.8267 16.34549 -6.462112      29.15670 
1 1 1 -18 1  8  o 295.0310 21.32339 7667.443       1067.066 7925.791       1509.154 7409.160       1508.964 295.4631 30.34165 284.9088 31.54428 10.55435       43.76822 
1 1 1 -18 1  9  o 77.40064 14.80919 535.0323       188.6077 558.6569       264.8784 510.7348       268.6241 78.46964 19.77468 75.15919 20.40508 3.310440       28.41488 
1 1 1 -18 1  10 o 358.8221 24.99873 11468.91       1522.220 11656.00       2152.260 11281.65       2153.228 354.0131 36.10736 347.6762 36.82780 6.336884       51.57546 
1 1 1 -18 1  11 o 132.7602 14.38921 1542.318       320.9958 1731.410       454.6570 1354.387       453.2594 139.3946 19.64493 122.1683 22.55730 17.22626       29.91246 
1 1 1 -18 1  12 o 283.2480 20.66327 7087.034       992.5706 6871.429       1401.682 7303.890       1405.740 273.6200 30.51846 282.7802 29.54715 -9.160248      42.47836 
1 1 1 -18 1  13 o 178.5359 23.30427 2873.054       693.5502 2873.054       693.5502 0.000000       0.000000 178.5359 23.30427 ?        ?        0.000000       23.30427 
1 1 1 -18 1  14 o 229.7830 26.61643 4819.658       1025.069 4819.658       1025.069 0.000000       0.000000 229.7830 26.61643 ?        ?        0.000000       26.61643 
1 1 1 -18 1  15 o 32.64777 12.70799 57.64881       101.9078 -136.2324      197.0708 128.4176       119.0626 33.26586 15.26319 40.49020 14.07070 -7.224335      20.75932 
1 1 1 -18 1  16 o 20.35600 9.292855 -47.36053      71.83055 0.000000       0.000000 -47.36053      71.83055 ?        ?        20.35600 9.292855 0.000000       9.292855 
1 1 1 -18 1  17 o 68.98177 13.52350 428.3734       153.6092 499.9737       220.2404 360.5507       214.3517 73.79527 17.70389 63.13267 18.61419 10.66259       25.68883 
1 1 1 -18 1  18 o 54.03387 12.41924 264.0451       112.1930 309.8422       184.8073 237.3156       141.1872 58.57572 17.28759 51.47198 15.08740 7.103737       22.94538 
1 1 1 -18 1  19 o 195.4193 6.840939 3282.132       228.2891 3147.053       305.2721 3453.519       343.8608 190.8103 9.368785 199.4351 10.12996 -8.624725      13.79820 
1 1 1 -18 1  20 f 319.9846 7.338322 8815.169       400.9846 8702.326       572.9579 8923.496       561.3752 316.5131 10.60057 320.6876 10.25107 -4.174469      14.74640 
1 1 1 -18 1  21 o 144.5132 6.441812 1796.039       158.9709 2039.238       234.2451 1588.394       216.4460 153.2141 8.992437 135.0329 9.446095 18.18115       13.04196 
1 1 1 -18 1  22 o 44.92083 13.62694 180.1431       113.6493 243.4746       165.3362 123.4158       156.4781 52.19583 16.53784 42.25478 15.92189 9.941055       22.95662 
1 1 1 -18 1  23 o 115.0178 7.526830 1147.625       147.0203 1105.737       224.1016 1179.275       194.8003 111.5670 11.94853 115.9326 9.935709 -4.365562      15.53981 
1 1 1 -18 1  24 o 43.02343 14.60580 156.4466       128.0693 79.88206       180.6665 233.7801       181.5715 41.05232 16.61120 51.65043 17.39179 -10.59811      24.05008 
1 1 1 -18 1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1  26 o 143.4823 9.748525 1807.507       237.4408 0.000000       0.000000 1807.507       237.4408 ?        ?        143.4823 9.748525 0.000000       9.748525 
1 1 1 -18 1  27 o 42.07145 15.50152 135.5397       146.7194 -38.81691      209.9548 301.9505       205.1150 37.43043 16.57862 56.97454 18.45937 -19.54411      24.81127 
1 1 1 -18 1  28 o 80.44132 10.16831 579.1431       136.5589 521.2076       174.9418 669.5056       218.4819 74.66262 14.24078 84.10924 15.79135 -9.446617      21.26421 
1 1 1 -18 1  29 o 169.3381 9.510659 2546.277       273.9084 2546.277       273.9084 0.000000       0.000000 169.3381 9.510659 ?        ?        0.000000       9.510659 
1 1 1 -18 1  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 1  31 o 33.67123 13.92933 54.73275       130.5799 18.45865       180.4580 94.60085       189.1867 35.79498 15.62750 40.27205 16.72180 -4.477070      22.88750 
1 1 1 -18 1  32 o 76.19469 9.331359 534.1188       118.8772 461.4418       173.5240 598.3951       163.1874 66.71965 15.52236 78.54502 12.59192 -11.82537      19.98750 
1 1 1 -18 1  33 o 77.36986 8.427228 548.2554       109.5411 376.1502       152.6840 730.7984       157.2458 59.65733 15.00235 87.71604 10.72093 -28.05871      18.43933 
1 1 1 -18 1  34 o 19.65683 9.483147 -122.2770      95.41625 -185.0806      120.9556 -18.80604      155.2541 20.93103 10.22886 30.35367 13.78127 -9.422644      17.16254 
1 1 1 -18 1  35 o 20.86255 9.913139 -86.56687      95.95159 -70.80820      118.6982 -116.2819      162.9943 24.20346 11.35441 26.83171 12.79736 -2.628252      17.10833 
1 1 1 -18 1  36 o 34.98388 12.33117 127.6340       91.62158 8.882640       133.4433 233.5411       126.0201 28.75510 12.94190 44.61116 14.47058 -15.85606      19.41367 
1 1 1 -18 1  37 o 63.19809 10.75376 416.2037       111.8988 309.4663       155.0849 532.1184       161.6147 47.94182 16.07365 66.73907 14.58788 -18.79725      21.70642 
1 1 1 -18 2  1  o 81.72604 6.166889 575.2269       85.43150 647.1786       106.0846 442.4610       144.1036 86.58296 7.241420 70.55527 12.41361 16.02769       14.37135 
1 1 1 -18 2  2  o 70.94762 6.928576 435.3649       82.87147 451.0732       107.4465 412.2993       130.1998 71.92988 8.940295 68.23510 11.58828 3.694778       14.63616 
1 1 1 -18 2  3  o 166.4663 6.303505 2372.519       179.1886 2354.683       196.4430 2460.881       437.2357 165.7916 6.938605 167.7256 15.43894 -1.934036      16.92646 
1 1 1 -18 2  4  o 182.5000 6.925418 2852.719       215.8295 2842.303       239.8528 2897.041       494.7756 182.0981 7.713252 181.9919 16.08605 0.1061859      17.83971 
1 1 1 -18 2  5  o 266.6739 8.440953 6099.434       384.3916 5937.469       419.2083 6954.775       963.3629 262.9777 9.334888 281.1191 20.20242 -18.14145      22.25484 
1 1 1 -18 2  6  o 168.7724 6.680555 2438.791       192.5378 2466.526       217.7802 2339.522       412.0107 169.6672 7.516552 163.7606 14.89608 5.906616       16.68508 
1 1 1 -18 2  7  o 270.1230 7.255108 6250.271       334.6628 6473.955       370.9583 5272.077       775.7465 274.8312 7.904187 245.2089 18.66619 29.62227       20.27074 
1 1 1 -18 2  8  o 261.3241 15.59877 5938.646       692.9252 5639.361       1196.615 6089.633       849.9262 249.3809 28.61710 263.4899 19.01706 -14.10902      34.35967 
1 1 1 -18 2  9  o 219.6376 14.14365 4187.504       527.6607 4133.854       911.8786 4214.512       646.9806 214.4046 25.39962 219.4327 17.40879 -5.028122      30.79297 
1 1 1 -18 2  10 o 195.9526 16.10297 3355.160       534.0724 2917.331       744.5338 3819.243       766.5314 179.7431 24.92767 207.1977 22.00082 -27.45453      33.24793 
1 1 1 -18 2  11 o 208.5475 24.82140 3916.728       866.5978 3916.728       866.5978 0.000000       0.000000 208.5475 24.82140 ?        ?        0.000000       24.82140 
1 1 1 -18 2  12 o 134.9424 21.19726 1640.056       472.3598 1640.056       472.3598 0.000000       0.000000 134.9424 21.19726 ?        ?        0.000000       21.19726 
1 1 1 -18 2  13 o 228.8172 26.40846 4764.698       1012.942 4764.698       1012.942 0.000000       0.000000 228.8172 26.40846 ?        ?        0.000000       26.40846 
1 1 1 -18 2  14 o 100.9627 13.30458 898.0377       223.7975 1223.114       351.1329 675.6398       290.4320 116.7749 18.20175 85.83049 20.15868 30.94442       27.16020 
1 1 1 -18 2  15 o 181.8665 16.67275 2920.893       512.0355 2633.681       733.6219 3193.703       714.9924 168.5399 26.35292 187.6624 22.77803 -19.12251      34.83268 
1 1 1 -18 2  16 o 346.5948 10.49220 10376.39       620.9983 12120.49       2077.040 10205.18       650.7651 353.6722 34.84336 343.4901 11.09451 10.18216       36.56703 
1 1 1 -18 2  17 o 155.4780 8.497935 2087.696       224.7691 2257.990       581.2385 2057.752       243.7307 156.7677 22.34409 154.1824 9.300611 2.585342       24.20247 
1 1 1 -18 2  18 o 124.9575 8.346951 1351.248       177.0868 1239.953       382.3507 1381.642       199.8094 116.0904 20.00943 126.1509 9.341608 -10.06059      22.08264 
1 1 1 -18 2  19 o 224.6611 8.063260 4349.946       309.3431 3859.229       880.0585 4419.124       330.4289 201.6965 26.16786 226.3096 8.550136 -24.61311      27.52929 
1 1 1 -18 2  20 o 135.7885 7.419103 1592.741       171.3835 1586.150       258.0652 1597.942       229.2341 134.4771 11.34364 135.3807 9.986127 -0.9036560     15.11294 
1 1 1 -18 2  21 o 79.10245 9.158025 549.1007       121.4189 594.5095       186.4321 515.6526       160.0060 81.01174 13.98158 75.65354 12.84459 5.358200       18.98600 
1 1 1 -18 2  22 o 54.83040 10.77503 271.1125       97.29068 156.6810       147.3722 359.5106       129.5281 44.21680 15.63339 62.90866 12.49786 -18.69186      20.01498 
1 1 1 -18 2  23 o 213.7997 6.285693 3935.676       229.4891 3936.113       355.9333 3935.365       300.2249 212.5457 9.806509 213.1512 8.248157 -0.6055450     12.81404 
1 1 1 -18 2  24 o 46.74804 15.99969 185.9738       153.6922 228.1834       219.8417 145.6224       214.9481 52.71259 19.04253 47.33683 18.44762 5.375751       26.51288 
1 1 1 -18 2  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 2  26 o 88.54694 10.63889 697.7710       157.6485 428.3937       280.0250 822.7659       190.7492 66.84013 21.55923 95.78156 11.92003 -28.94142      24.63509 
1 1 1 -18 2  27 o 119.6028 7.820294 1247.473       158.8432 1524.272       254.9224 1071.795       203.0882 130.7277 11.53765 109.6938 10.98960 21.03391       15.93388 
1 1 1 -18 2  28 o 37.12539 14.37135 90.31437       129.7759 -56.45993      189.2426 220.6157       178.3070 34.49552 15.47810 49.73431 17.22279 -15.23878      23.15591 
1 1 1 -18 2  29 o 24.70270 11.49061 -91.76681      117.4012 -161.5533      165.8972 -21.75569      166.1640 27.92509 13.19982 33.43815 14.78256 -5.513054      19.81816 
1 1 1 -18 2  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 2  31 o 60.18254 12.82869 351.3691       127.8131 376.8972       180.5739 325.7382       180.9367 60.09155 16.89306 55.85071 17.24174 4.240841       24.13820 
1 1 1 -18 2  32 o 29.94544 12.86163 20.92799       118.2578 176.2853       158.1178 -176.2939      178.1527 43.17123 16.05623 27.82722 13.30177 15.34402       20.85041 
1 1 1 -18 2  33 o 104.1345 7.700469 979.8304       135.9636 871.7234       167.7235 1187.033       232.2012 96.07580 10.38839 109.8845 12.60232 -13.80872      16.33209 
1 1 1 -18 2  34 o 34.17091 12.36259 109.9871       92.70700 10.18997       104.4135 481.6790       201.5065 27.10153 11.85816 63.13405 17.87948 -36.03252      21.45441 
1 1 1 -18 2  35 o 47.44342 12.28902 239.1171       100.3599 272.3406       128.3514 186.8474       160.9917 48.91827 14.39847 40.89033 15.95693 8.027943       21.49278 
1 1 1 -18 2  36 o 68.44188 8.400031 447.3270       96.11500 520.2453       130.7342 361.5513       141.7925 71.24488 11.10792 55.43156 14.72860 15.81332       18.44770 
1 1 1 -18 2  37 o 23.85586 10.75555 -4.324301      92.63321 -19.18390      117.9521 19.59052       149.6359 25.49301 11.73791 29.49910 13.44576 -4.006088      17.84845 
1 1 1 -18 3  1  o 251.1036 6.021615 5400.257       258.2069 5322.452       358.0713 5484.545       372.6864 248.9223 8.423717 252.6452 8.638344 -3.722900      12.06565 
1 1 1 -18 3  2  o 65.15530 8.193777 370.0517       89.15028 343.5419       100.9606 463.8908       189.9505 62.46154 9.786833 71.63293 15.93928 -9.171391      18.70408 
1 1 1 -18 3  3  o 290.8305 7.725631 7254.037       383.6859 7385.301       418.0890 6553.475       965.8716 293.3415 8.346287 271.8979 20.96410 21.44357       22.56444 
1 1 1 -18 3  4  o 168.4846 6.644855 2431.360       191.1823 2411.536       211.2670 2521.001       449.2538 167.7357 7.375717 169.6736 15.68256 -1.937927      17.33043 
1 1 1 -18 3  5  o 165.7045 6.780818 2351.811       191.8750 2284.913       211.7549 2658.752       453.5785 163.2657 7.595157 174.4131 15.38671 -11.14743      17.15917 
1 1 1 -18 3  6  o 322.8541 8.796796 8945.994       484.9900 8966.098       528.0661 8837.634       1225.987 323.0636 9.571905 315.4825 22.91305 7.581116       24.83202 
1 1 1 -18 3  7  o 140.0361 6.575871 1679.187       157.2516 1633.289       176.0828 1859.997       349.4884 137.8467 7.508603 145.9568 14.20176 -8.110107      16.06453 
1 1 1 -18 3  8  o 257.6836 6.670181 5686.396       293.5123 5948.687       326.8339 4593.259       667.2266 263.4868 7.263841 229.0805 17.18139 34.40625       18.65378 
1 1 1 -18 3  9  o 99.18812 7.585629 848.1981       127.5111 884.4263       152.2235 762.9897       233.4529 101.1169 8.906616 92.63032 15.29224 8.486588       17.69691 
1 1 1 -18 3  10 o 218.6694 17.50579 4195.741       648.2092 4082.523       914.5258 4310.045       918.9023 212.4328 25.73508 218.6505 25.06292 -6.217636      35.92275 
1 1 1 -18 3  11 o 152.9295 21.58947 2101.481       548.1321 2101.481       548.1321 0.000000       0.000000 152.9295 21.58947 ?        ?        0.000000       21.58947 
1 1 1 -18 3  12 o 165.6655 22.90885 2479.400       630.7496 2479.400       630.7496 0.000000       0.000000 165.6655 22.90885 ?        ?        0.000000       22.90885 
1 1 1 -18 3  13 o 113.6023 19.86795 1168.556       371.3911 0.000000       0.000000 1168.556       371.3911 ?        ?        113.6023 19.86795 0.000000       19.86795 
1 1 1 -18 3  14 o 61.30045 15.07645 340.3505       156.7265 394.7749       263.5115 310.5602       194.9573 66.71170 20.84257 59.11982 17.82849 7.591877       27.42750 
1 1 1 -18 3  15 o 146.4670 8.407093 1850.860       209.3942 1658.271       473.2621 1897.738       233.4920 134.8763 21.25112 148.1514 9.275954 -13.27507      23.18735 
1 1 1 -18 3  16 o 202.3784 7.910702 3521.854       273.3890 3121.550       754.4542 3582.364       293.3246 183.6783 24.67748 204.0141 8.419502 -20.33577      26.07425 
1 1 1 -18 3  17 o 214.5992 8.491614 3967.765       311.1862 4640.886       864.4302 3867.545       333.5486 224.9704 22.81671 211.7001 9.226480 13.27028       24.61158 
1 1 1 -18 3  18 o 170.2503 8.313910 2498.346       241.7103 2606.181       640.4527 2480.435       261.0126 167.5222 22.99444 169.2559 9.063481 -1.733643      24.71621 
1 1 1 -18 3  19 o 218.9839 7.850163 4132.279       293.5573 3717.407       600.4507 4262.587       336.5160 203.4192 17.45463 222.1283 8.871556 -18.70915      19.57980 
1 1 1 -18 3  20 f 94.82905 9.525213 786.9133       152.1623 868.7114       295.4095 757.3735       177.5240 96.72770 18.55932 92.50574 11.48505 4.221954       21.82555 
1 1 1 -18 3  21 o 60.77708 11.79787 333.7262       118.0308 198.5338       188.1372 421.4717       151.5692 49.63278 17.65135 68.02761 13.52369 -18.39483      22.23647 
1 1 1 -18 3  22 o 153.8589 7.129354 2041.797       187.3159 1785.674       266.1968 2293.007       263.6313 142.4971 11.02523 162.1318 9.564322 -19.63467      14.59561 
1 1 1 -18 3  23 o 31.16139 12.14228 55.18744       93.11256 83.51749       152.0994 38.20628       117.7572 38.97726 15.41837 32.52632 13.31670 6.450943       20.37304 
1 1 1 -18 3  24 o 26.40086 11.78581 -38.88828      108.2443 0.8089945      129.7702 -129.6713      196.2444 31.40656 13.48071 32.82731 15.12433 -1.420750      20.26018 
1 1 1 -18 3  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 3  26 f 79.83521 9.898672 566.1025       132.0556 776.7253       275.7118 503.4003       150.4333 90.03102 18.55049 74.45389 12.25864 15.57713       22.23499 
1 1 1 -18 3  27 o 99.35760 10.51309 878.7084       175.6654 1137.592       263.3072 671.0604       235.8167 111.4900 14.14857 83.94157 17.03328 27.54843       22.14305 
1 1 1 -18 3  28 o 31.03514 13.61771 -17.17953      138.5621 43.01645       183.0630 -97.92871      212.0244 38.48888 16.24574 34.94945 15.95916 3.539429       22.77320 
1 1 1 -18 3  29 o 24.76994 11.47025 -81.84802      115.0016 -127.3577      162.4919 -36.17574      162.7820 28.63661 13.38641 32.33526 14.44274 -3.698648      19.69235 
1 1 1 -18 3  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 3  31 o 24.44511 11.60903 -132.6518      131.2357 -141.5616      158.4431 -113.1817      234.2198 27.19156 12.86743 34.83965 16.21392 -7.648090      20.69932 
1 1 1 -18 3  32 o 85.36469 9.206375 669.9875       132.0811 789.2822       175.6888 514.9224       200.3044 90.93989 11.57567 68.92224 17.10052 22.01765       20.65003 
1 1 1 -18 3  33 o 38.75649 12.77561 148.4236       98.07858 -58.88771      118.8172 591.7664       173.7552 25.40070 11.72590 75.99556 13.90126 -50.59486      18.18631 
1 1 1 -18 3  34 o 47.61022 12.45187 236.3879       102.3889 190.5855       119.9583 359.3031       196.5119 42.13067 14.13654 53.61345 18.09298 -11.48278      22.96079 
1 1 1 -18 3  35 o 66.10862 9.349252 423.2822       102.6009 495.2905       146.2755 353.5440       143.9515 68.02477 13.06714 55.26496 14.90956 12.75981       19.82537 
1 1 1 -18 3  36 o 17.44682 8.495353 -116.8493      81.30189 -83.82076      108.5605 -159.0334      122.6878 22.18197 10.54133 21.25198 10.36740 0.9299831      14.78522 
1 1 1 -18 3  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 4  1  o 186.3227 5.162559 2971.529       164.2603 2969.297       226.6742 2973.998       238.3649 186.0433 7.134871 186.1446 7.498770 -0.1012726     10.35075 
1 1 1 -18 4  2  o 164.8741 6.632415 2329.965       186.7352 2250.552       204.9583 2717.914       453.0092 161.9627 7.410517 176.0187 15.22093 -14.05597      16.92904 
1 1 1 -18 4  3  o 267.0423 7.621098 6118.170       347.5358 6138.381       378.6925 6010.284       874.9315 267.3647 8.294319 260.4193 19.82315 6.945404       21.48844 
1 1 1 -18 4  4  o 172.0196 6.081396 2533.970       178.6418 2601.634       197.0979 2222.584       422.8162 174.2537 6.623663 159.0422 15.77631 15.21143       17.11038 
1 1 1 -18 4  5  o 140.5440 6.381593 1691.795       153.1593 1674.802       170.0213 1764.942       352.7526 139.5996 7.156152 141.8647 14.77801 -2.265137      16.41951 
1 1 1 -18 4  6  o 176.7540 6.594676 2676.221       199.0511 2669.725       219.3669 2706.499       473.6028 176.4769 7.279161 175.6918 15.95970 0.7850952      17.54133 
1 1 1 -18 4  7  o 249.9550 7.302836 5355.606       311.7132 5409.700       341.5175 5085.633       762.9496 251.1206 7.963953 240.2747 18.74279 10.84590       20.36460 
1 1 1 -18 4  8  o 62.74266 8.734972 344.4316       91.05061 300.5337       105.6336 471.3115       179.5876 58.12347 11.04645 72.39902 15.01823 -14.27555      18.64326 
1 1 1 -18 4  9  o 153.6679 6.776716 2023.263       177.8297 2035.679       189.6067 1932.525       512.5662 154.1037 7.205077 146.6500 21.07294 7.453720       22.27065 
1 1 1 -18 4  10 o 76.73966 10.84881 517.2274       138.2056 469.1649       157.5609 677.5912       287.8055 72.54532 13.20502 86.09756 19.96349 -13.55224      23.93562 
1 1 1 -18 4  11 o 77.81328 15.52834 545.0447       199.1084 0.000000       0.000000 545.0447       199.1084 ?        ?        77.81328 15.52834 0.000000       15.52834 
1 1 1 -18 4  12 o 52.14371 14.42678 243.5871       132.8018 410.2709       227.3439 157.2500       163.6196 67.31029 18.96639 45.83997 16.44415 21.47032       25.10247 
1 1 1 -18 4  13 o 127.8581 14.19003 1438.752       304.5971 1513.794       444.0681 1372.074       418.5906 129.0875 20.85592 122.8220 20.69333 6.265465       29.37998 
1 1 1 -18 4  14 o 67.57861 12.21812 407.5713       135.8090 543.0198       261.3055 357.4428       158.9657 76.78871 19.79985 62.75540 15.03170 14.03331       24.85933 
1 1 1 -18 4  15 o 45.10704 13.19645 180.4724       108.1059 464.6802       203.3575 68.51444       127.6350 71.25576 16.95766 36.10935 14.17474 35.14641       22.10171 
1 1 1 -18 4  16 o 224.8324 7.912899 4349.437       303.8061 4145.927       893.2307 4376.059       323.0667 211.0450 25.28849 225.4114 8.392945 -14.36644      26.64487 
1 1 1 -18 4  17 o 171.0297 8.452347 2521.464       246.8600 2661.752       641.7505 2497.101       267.4379 169.6064 22.72931 169.7977 9.258314 -0.1913147     24.54258 
1 1 1 -18 4  18 o 134.9031 8.822986 1577.958       202.1346 1524.021       497.1784 1588.639       221.2451 126.8271 23.83108 135.1604 9.649076 -8.333336      25.71041 
1 1 1 -18 4  19 o 132.4193 8.018337 1517.980       180.4618 1254.239       440.8250 1571.078       197.7951 114.6289 23.31389 134.5737 8.652910 -19.94475      24.86786 
1 1 1 -18 4  20 o 144.9157 6.953546 1808.388       172.0773 1632.404       339.6185 1869.171       199.5943 134.8904 14.99768 146.9239 7.985238 -12.03349      16.99101 
1 1 1 -18 4  21 o 76.65987 8.800090 515.6314       113.1133 479.8524       190.0318 535.2637       140.7664 71.94430 15.89179 77.57949 10.92836 -5.635193      19.28674 
1 1 1 -18 4  22 o 45.27265 11.38864 186.5952       87.96681 224.9518       119.2760 140.8520       130.2556 49.57629 13.65433 41.82763 14.70695 7.748657       20.06826 
1 1 1 -18 4  23 o 72.00910 12.42044 469.7579       147.2135 486.9161       169.4113 416.8512       297.4831 72.78497 14.13966 66.78944 22.26104 5.995529       26.37202 
1 1 1 -18 4  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 4  25 o 122.5814 7.074358 1303.061       147.4565 1083.293       238.6410 1438.791       187.5427 109.6992 12.99152 128.3649 8.605436 -18.66573      15.58310 
1 1 1 -18 4  26 o 86.43056 10.13132 663.8520       146.6957 337.2093       275.2486 793.4418       173.3701 60.85022 21.37990 94.28592 10.97300 -33.43570      24.03137 
1 1 1 -18 4  27 o 115.5935 7.606571 1166.388       149.3108 1387.709       267.3833 1066.102       179.9876 123.7546 12.83919 109.7349 9.705033 14.01965       16.09449 
1 1 1 -18 4  28 o 51.27060 14.18607 249.9575       128.4030 81.59978       185.6298 404.4146       177.8014 40.60777 16.68336 64.42317 16.18307 -23.81540      23.24277 
1 1 1 -18 4  29 o 27.71710 12.41993 -35.96314      121.4153 -138.0660      162.1442 94.36486       183.1898 28.12040 13.21710 40.57340 16.61012 -12.45301      21.22706 
1 1 1 -18 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 4  31 o 47.41307 13.71464 224.1732       117.3557 272.9789       148.4118 142.7349       191.7113 51.49139 15.56146 42.59256 17.15450 8.898834       23.16109 
1 1 1 -18 4  32 o 78.64619 9.674375 575.7575       127.1883 429.4236       151.6159 923.3417       233.6697 64.84707 14.09396 95.01702 14.89044 -30.16995      20.50281 
1 1 1 -18 4  33 o 27.08004 12.32320 -34.49873      125.0505 -34.49873      125.0505 0.000000       0.000000 27.08004 12.32320 ?        ?        0.000000       12.32320 
1 1 1 -18 4  34 o 77.42194 8.082702 557.5926       105.2863 533.1671       143.5486 586.0310       154.8923 72.30373 12.05029 75.45190 12.45617 -3.148178      17.33106 
1 1 1 -18 4  35 o 48.44713 11.63743 246.1116       95.07209 262.4911       130.4422 227.5509       138.8564 47.47280 14.63689 43.89152 15.19860 3.581276       21.10062 
1 1 1 -18 4  36 o 34.50494 12.04130 126.9097       87.23875 73.88345       115.4448 197.5006       133.1998 30.83570 12.95207 40.43055 14.78917 -9.594849      19.65898 
1 1 1 -18 5  1  o 124.4317 5.198015 1325.659       110.4512 1313.774       150.9925 1339.338       161.9899 123.5113 7.190014 124.6420 7.647599 -1.130730      10.49677 
1 1 1 -18 5  2  o 104.5209 5.350280 937.8322       95.17506 982.1240       119.7359 861.8226       156.8544 106.8206 6.596261 99.61648 9.329353 7.204094       11.42574 
1 1 1 -18 5  3  o 171.0021 5.118785 2502.894       149.4756 2491.413       208.9821 2514.919       213.8839 170.4069 7.181578 171.1933 7.316265 -0.7863922     10.25197 
1 1 1 -18 5  4  o 159.2229 6.066106 2171.830       164.9368 2184.553       181.4222 2111.208       396.0001 159.6348 6.655197 154.9510 15.15997 4.683731       16.55646 
1 1 1 -18 5  5  o 333.4106 8.724962 9554.787       496.7580 9587.899       539.6335 9370.906       1271.677 333.7915 9.467205 323.0282 23.20806 10.76324       25.06476 
1 1 1 -18 5  6  o 244.2232 7.152279 5115.104       298.2863 5144.197       325.4341 4962.229       745.9913 244.8177 7.784278 236.9129 18.58845 7.904831       20.15255 
1 1 1 -18 5  7  o 81.63515 7.545639 576.5968       104.0000 532.3613       116.0348 757.2766       234.5077 78.21163 8.843255 92.06136 15.46525 -13.84972      17.81508 
1 1 1 -18 5  8  o 132.4141 6.368098 1502.299       143.9945 1496.951       152.5348 1546.085       436.4609 131.9741 6.791299 130.9292 20.16874 1.044876       21.28144 
1 1 1 -18 5  9  o 182.3132 6.357733 2848.055       197.9348 2919.710       208.8610 2216.450       620.0930 184.5641 6.626866 155.6484 24.10937 28.91574       25.00354 
1 1 1 -18 5  10 o 149.3716 7.296629 1914.260       186.1197 1893.753       198.3115 2065.824       539.1346 148.3082 7.858374 151.0975 21.50133 -2.789291      22.89238 
1 1 1 -18 5  11 o 329.1213 7.212896 9294.446       405.3849 9754.553       443.9347 6985.038       994.5809 337.0504 7.712983 279.5468 20.98771 57.50357       22.36010 
1 1 1 -18 5  12 o 412.1696 22.91080 15309.03       1606.205 15067.75       2782.301 15429.64       1967.094 384.6373 43.10054 408.1327 28.40117 -23.49539      51.61670 
1 1 1 -18 5  13 o 145.9528 9.232797 1842.649       228.9306 2382.331       564.5371 1736.434       250.4474 162.1413 20.87379 141.4077 10.44543 20.73361       23.34143 
1 1 1 -18 5  14 o 244.6916 8.873015 5158.817       370.7595 5519.282       1071.393 5109.778       395.1755 243.7214 26.15136 243.3627 9.508983 0.3587189      27.82651 
1 1 1 -18 5  15 o 207.8295 7.753066 3715.617       275.1583 3180.030       774.4256 3793.000       294.3656 184.5068 25.24100 209.8871 8.212954 -25.38031      26.54357 
1 1 1 -18 5  16 o 250.7023 8.024280 5412.750       343.5313 4707.571       1015.585 5503.862       365.0499 222.8297 27.25787 252.6829 8.460079 -29.85326      28.54057 
1 1 1 -18 5  17 o 295.6577 8.367694 7539.061       422.4710 6748.948       1338.515 7626.481       445.2296 263.1604 30.34102 297.2197 8.772119 -34.05933      31.58366 
1 1 1 -18 5  18 o 207.6614 7.932446 3718.606       281.2968 3633.088       812.5183 3730.251       299.8391 195.8478 24.85423 207.8492 8.447692 -12.00133      26.25065 
1 1 1 -18 5  19 o 242.6680 7.979313 5083.343       330.6587 5114.320       1051.128 5079.941       348.3431 229.3465 27.37995 242.4391 8.414002 -13.09268      28.64363 
1 1 1 -18 5  20 o 87.99100 9.390876 679.2231       138.9265 609.2838       341.9230 693.0522       152.0423 79.39704 23.53595 88.67532 10.22816 -9.278282      25.66235 
1 1 1 -18 5  21 o 24.65157 9.700348 30.96377       59.90953 29.82558       69.48467 34.26099       118.2646 25.90229 10.36445 32.34562 13.30587 -6.443329      16.86618 
1 1 1 -18 5  22 o 50.31591 10.50702 229.2024       87.36520 268.8676       115.0192 175.1080       134.3201 54.13780 12.66639 45.03785 14.95587 9.099957       19.59886 
1 1 1 -18 5  23 o 63.57066 16.64006 380.5109       182.7497 430.7846       223.2455 278.3881       318.1807 67.22094 18.74323 59.55467 22.64093 7.666267       29.39252 
1 1 1 -18 5  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 5  25 o 22.92012 10.81518 -117.8594      110.4946 56.43462       244.3098 -162.6793      123.8896 44.45865 18.76670 23.12015 11.06282 21.33850       21.78474 
1 1 1 -18 5  26 o 62.87323 12.56622 363.8654       130.2010 153.6347       253.1440 439.4844       151.8222 49.51565 19.79343 68.96632 13.37396 -19.45066      23.88813 
1 1 1 -18 5  27 o 211.9034 6.275043 3886.565       227.0683 4204.160       358.5267 3673.848       293.4169 218.4098 9.612749 204.9367 8.384234 13.47302       12.75540 
1 1 1 -18 5  28 o 79.90179 9.437223 573.1907       126.2805 663.9041       165.5777 447.0630       195.2413 85.01035 11.71725 67.00263 17.02821 18.00772       20.67012 
1 1 1 -18 5  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 5  30 o 40.84226 13.52574 157.1278       109.8874 151.9390       131.7548 168.9853       199.1725 41.03331 14.75243 44.94249 17.68629 -3.909184      23.03126 
1 1 1 -18 5  31 o 47.99648 13.10270 229.9672       110.4033 330.2293       136.4381 39.80275       187.9021 57.04879 14.08866 36.69324 15.98510 20.35555       21.30760 
1 1 1 -18 5  32 o 74.97457 8.967012 519.7734       112.5278 491.7905       139.1803 572.5911       191.2144 70.93410 11.91229 73.37733 15.73243 -2.443230      19.73353 
1 1 1 -18 5  33 o 54.72036 12.25890 305.7076       111.7095 378.0259       132.7593 130.3368       206.7376 60.20897 13.26984 40.16406 17.12118 20.04490       21.66156 
1 1 1 -18 5  34 o 28.35576 12.89653 -15.09080      136.7139 -15.09080      136.7139 0.000000       0.000000 28.35576 12.89653 ?        ?        0.000000       12.89653 
1 1 1 -18 5  35 o 56.96636 11.10414 333.6284       104.1386 319.5898       130.3305 358.4196       173.1936 52.79065 14.16339 52.56798 16.95505 0.2226677      22.09243 
1 1 1 -18 5  36 o 34.15964 12.63200 125.9814       97.59023 18.79527       121.6149 319.8211       163.5456 27.73561 12.42904 48.29593 16.50473 -20.56031      20.66125 
1 1 1 -18 6  1  o 295.0684 6.172517 7465.662       311.0190 7268.655       444.6513 7654.380       435.1956 290.4648 8.964460 298.1935 8.546423 -7.728668      12.38559 
1 1 1 -18 6  2  o 155.5201 5.019621 2070.768       133.3090 2046.015       183.9421 2098.154       193.4736 154.3917 6.976784 156.3139 7.248064 -1.922241      10.06032 
1 1 1 -18 6  3  o 182.1120 4.889656 2838.866       152.0613 2881.551       210.9952 2792.737       219.3418 183.2679 6.741930 180.3716 7.121168 2.896301       9.806358 
1 1 1 -18 6  4  o 259.2362 6.118281 5760.248       270.8488 6058.375       377.9021 5445.344       388.3894 265.4218 8.337595 251.4766 9.044152 13.94524       12.30090 
1 1 1 -18 6  5  o 248.0886 7.134244 5282.311       302.2433 5334.973       329.4273 5002.148       759.8276 249.2087 7.740954 237.0984 18.92422 12.11026       20.44623 
1 1 1 -18 6  6  o 240.7178 7.296749 4973.888       299.9436 4942.069       326.9560 5142.933       753.6125 239.8214 7.983613 240.7140 18.47441 -0.8925629     20.12565 
1 1 1 -18 6  7  f 387.9871 9.834065 12977.09       651.5568 13097.36       679.9506 11626.61       2278.489 389.6321 10.21929 341.7890 39.78222 47.84311       41.07382 
1 1 1 -18 6  8  o 113.4844 7.045166 1109.303       135.8558 1132.845       148.2757 986.1729       339.1017 114.6031 7.619983 103.8763 19.84017 10.72679       21.25315 
1 1 1 -18 6  9  o 385.4076 10.05853 12814.21       661.9978 12744.91       718.1382 13206.18       1707.913 383.9988 10.95157 379.0958 26.55002 4.902985       28.72003 
1 1 1 -18 6  10 o 467.0829 11.05457 18868.21       881.7341 18999.25       955.5325 18116.78       2288.092 468.1987 11.95125 438.4856 30.75196 29.71310       32.99266 
1 1 1 -18 6  11 f 47.52741 10.38647 202.6003       81.94263 208.3027       109.2075 195.2534       123.9576 48.13734 12.98606 47.08280 14.22008 1.054539       19.25742 
1 1 1 -18 6  12 o 206.4062 8.042198 3664.834       283.4650 3937.162       859.2892 3631.579       300.2738 206.3088 24.89347 205.3659 8.562237 0.9429169      26.32483 
1 1 1 -18 6  13 o 195.3532 7.791258 3282.593       259.9142 3538.452       772.9340 3249.972       275.9861 195.9274 23.57497 194.2802 8.318723 1.647171       24.99961 
1 1 1 -18 6  14 o 119.2580 9.493400 1235.946       191.7345 1327.896       435.6867 1213.862       213.5219 119.3827 22.18804 117.8987 10.72272 1.483925       24.64317 
1 1 1 -18 6  15 o 480.6461 12.05121 20118.55       989.1403 20338.38       3444.359 20098.79       1032.638 424.2671 48.40752 479.9742 12.59877 -55.70718      50.02017 
1 1 1 -18 6  16 o 117.0044 9.536587 1191.984       188.8871 1464.463       438.4589 1129.892       209.3051 125.4950 21.21602 113.5499 10.92920 11.94505       23.86561 
1 1 1 -18 6  17 o 156.5077 8.069991 2118.651       214.9463 2224.927       548.9310 2099.405       233.5999 154.7621 21.33817 155.5974 8.827968 -0.8353424     23.09221 
1 1 1 -18 6  18 o 66.30534 11.80579 395.0800       128.7735 453.9184       268.7484 377.5450       146.7124 69.65610 20.91582 64.30515 13.77524 5.350952       25.04453 
1 1 1 -18 6  19 o 167.7960 8.274825 2434.751       237.1059 2566.442       637.0712 2413.576       255.4580 164.0519 23.40424 166.6382 9.010729 -2.586349      25.07891 
1 1 1 -18 6  20 f 190.7659 6.982886 3137.579       227.4770 2809.117       496.1339 3225.009       255.9675 175.8667 16.72136 193.1864 7.759013 -17.31970      18.43383 
1 1 1 -18 6  21 o 156.5302 6.480381 2110.944       173.2210 1966.162       312.1777 2175.351       208.2157 148.8435 12.39470 158.6111 7.687371 -9.767609      14.58507 
1 1 1 -18 6  22 o 30.65819 11.85870 55.69561       88.31042 45.61480       95.11285 118.7045       237.7892 30.52797 12.15561 47.31841 19.08851 -16.79044      22.63029 
1 1 1 -18 6  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 6  24 o 233.2460 6.881851 4700.862       274.1078 4706.248       423.5475 4696.981       359.5588 231.4335 10.71702 232.1380 9.070303 -0.7045135     14.04012 
1 1 1 -18 6  25 o 137.9666 6.784976 1645.870       159.8542 1721.717       293.3938 1613.848       190.6348 138.5407 12.53726 135.9767 8.248857 2.563995       15.00755 
1 1 1 -18 6  26 o 33.12561 13.31785 54.11407       115.3235 211.3230       167.0045 -89.17988      159.4423 48.73490 16.67823 30.13033 13.78928 18.60456       21.64042 
1 1 1 -18 6  27 o 40.87181 14.61735 139.8649       129.1922 276.3776       178.7640 -9.387600      186.9194 53.65165 17.21729 36.04598 15.81641 17.60567       23.37935 
1 1 1 -18 6  28 o 17.69900 8.842279 -282.7865      110.1273 -85.57507      179.1425 -402.5914      139.6272 31.74347 14.56014 19.01612 9.564081 12.72735       17.42037 
1 1 1 -18 6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 6  30 o 38.56773 12.72245 140.0007       97.25769 94.18105       140.6281 182.0093       134.6527 36.79812 14.73750 43.40774 14.97043 -6.609623      21.00732 
1 1 1 -18 6  31 o 42.71996 13.40714 182.3503       108.8982 296.2323       134.3299 -35.97652      185.9938 53.50808 14.38885 33.03479 15.03146 20.47329       20.80827 
1 1 1 -18 6  32 f 29.39734 12.08520 48.94660       97.48229 99.51692       117.3020 -63.94140      175.2594 34.78691 13.60808 30.57321 14.15842 4.213703       19.63774 
1 1 1 -18 6  33 o 30.86873 11.97993 78.75833       90.35811 130.8491       118.7536 7.132819       139.2516 36.64730 13.85584 29.91412 13.35997 6.733187       19.24768 
1 1 1 -18 6  34 o 52.11414 11.54411 281.7509       100.0288 372.2398       138.4795 183.0235       144.6460 57.56863 14.17955 40.36694 15.28480 17.20169       20.84909 
1 1 1 -18 6  35 o 17.85053 8.688162 -119.1075      84.77075 -61.89498      110.8446 -199.7147      131.5698 23.28799 10.94009 21.08326 10.37690 2.204733       15.07865 
1 1 1 -18 7  1  o 70.92819 6.044573 434.6230       72.51414 445.6177       96.36723 420.2713       110.1004 71.51355 8.029902 69.12269 9.585529 2.390862       12.50447 
1 1 1 -18 7  2  o 228.3883 5.304140 4468.906       206.8668 4058.837       291.1852 4886.776       293.9418 217.2178 7.850042 238.4819 7.217787 -21.26410      10.66394 
1 1 1 -18 7  3  o 89.19942 5.236134 683.8703       79.40843 586.6614       101.0142 841.1161       128.4751 82.32247 7.259929 98.61752 7.689691 -16.29504      10.57535 
1 1 1 -18 7  4  o 84.89168 5.719218 620.4227       82.42633 622.5972       108.6555 617.4749       126.5073 84.77769 7.585463 84.19098 8.935901 0.5867081      11.72133 
1 1 1 -18 7  5  o 110.0738 4.769245 1037.219       89.64694 930.2107       118.7453 1179.039       136.7026 103.8934 6.729253 116.9958 6.872517 -13.10237      9.618438 
1 1 1 -18 7  6  o 25.93683 10.51550 24.28165       72.55203 26.78741       78.97073 10.71998       183.7187 27.07687 10.97321 38.10966 16.19007 -11.03279      19.55837 
1 1 1 -18 7  7  o 447.9510 11.76388 17404.47       899.8768 17404.80       938.0996 17400.63       3184.938 447.6473 12.27188 402.1561 47.27967 45.49118       48.84636 
1 1 1 -18 7  8  o 200.6071 5.772970 3449.335       197.7641 3620.451       217.9877 2653.376       470.1456 205.4603 6.213013 173.0315 16.09585 32.42876       17.25334 
1 1 1 -18 7  9  o 283.5283 7.757888 6912.463       375.6141 6955.702       409.0643 6680.049       948.3931 284.2335 8.427803 272.3609 20.54234 11.87265       22.20395 
1 1 1 -18 7  10 o 229.0476 5.761742 4497.406       225.3624 4680.081       305.1085 4278.089       334.3107 233.2959 7.658527 222.8038 8.786699 10.49214       11.65586 
1 1 1 -18 7  11 o 73.52643 6.500258 467.5943       80.77533 488.4650       99.54322 427.3562       138.2173 74.93960 7.897451 69.15093 12.14805 5.788666       14.48947 
1 1 1 -18 7  12 o 90.62083 7.194939 710.2447       110.4255 719.1878       149.5470 699.5225       163.7477 90.70200 9.811513 89.17719 10.98499 1.524811       14.72874 
1 1 1 -18 7  13 o 270.6718 8.329218 6314.466       384.9898 6108.602       1190.871 6338.492       406.8362 253.2649 28.00370 271.0424 8.789830 -17.77747      29.35078 
1 1 1 -18 7  14 o 185.4100 7.401966 2958.305       234.3592 2565.577       658.1539 3015.332       250.7982 165.3506 24.01074 187.0975 7.849728 -21.74690      25.26131 
1 1 1 -18 7  15 o 39.06620 13.85300 117.9705       115.7986 199.7208       239.1296 92.92764       132.3520 52.60894 19.71014 38.25403 14.58818 14.35491       24.52151 
1 1 1 -18 7  16 o 83.18728 8.626833 604.2704       120.7674 546.2009       179.5589 652.2371       163.1934 77.63623 14.06153 85.77892 11.42501 -8.142693      18.11788 
1 1 1 -18 7  17 o 115.2070 8.971679 1155.859       175.1122 907.2868       388.0075 1219.438       196.2334 96.68275 23.68742 118.1280 9.816813 -21.44522      25.64106 
1 1 1 -18 7  18 o 95.22002 8.357401 790.0671       134.5200 890.8107       235.7435 741.4266       163.8062 99.35519 14.30718 91.63380 10.66789 7.721390       17.84655 
1 1 1 -18 7  19 o 111.5495 8.008720 1081.440       151.5418 1171.195       280.8509 1044.575       179.9926 113.8195 14.79979 109.1583 9.758882 4.661194       17.72765 
1 1 1 -18 7  20 o 39.07073 11.84047 135.4900       85.83538 45.95348       122.0886 223.0049       120.7024 33.55107 13.62744 49.36257 13.78841 -15.81150      19.38627 
1 1 1 -18 7  21 o 102.0341 24.10481 1038.379       413.3213 1038.379       413.3213 0.000000       0.000000 102.0341 24.10481 ?        ?        0.000000       24.10481 
1 1 1 -18 7  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 7  23 o 166.2214 9.060184 2413.990       256.2028 0.000000       0.000000 2413.990       256.2028 ?        ?        166.2214 9.060184 0.000000       9.060184 
1 1 1 -18 7  24 o 24.80944 11.63223 -118.0265      124.2839 290.4015       271.2042 -226.6016      139.8311 58.02112 21.12115 23.20541 11.26298 34.81571       23.93653 
1 1 1 -18 7  25 o 53.12017 13.59591 264.1596       123.8481 278.9600       183.2327 251.7109       168.0464 54.58358 17.42220 52.12359 16.68964 2.459991       24.12627 
1 1 1 -18 7  26 f 60.46823 12.38655 340.6572       123.6013 295.5449       187.6398 375.2354       164.2777 55.40903 17.62464 62.36744 15.49391 -6.958408      23.46677 
1 1 1 -18 7  27 o 27.35365 12.10604 -21.72499      111.7409 -70.24914      171.6672 13.94914       147.1923 31.70486 14.43197 33.23827 14.31357 -1.533409      20.32634 
1 1 1 -18 7  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 7  29 o 59.12867 10.42873 327.0633       101.4521 223.0348       139.5204 443.7828       147.7861 47.33832 15.21252 67.44584 13.30410 -20.10752      20.20940 
1 1 1 -18 7  30 o 35.24420 12.14206 113.4643       88.56767 156.4807       119.9482 61.89568       131.3317 40.49086 14.11999 33.69635 13.95696 6.794506       19.85373 
1 1 1 -18 7  31 o 49.58767 11.25588 241.2603       93.13324 258.4868       130.7551 223.5210       132.6867 49.58398 14.51513 46.19465 14.83427 3.389328       20.75439 
1 1 1 -18 7  32 o 32.97749 12.25127 97.74129       92.00615 13.76563       124.2259 199.7752       136.9329 29.24418 12.86142 43.07977 15.08300 -13.83559      19.82203 
1 1 1 -18 7  33 o 40.13113 12.53506 170.9069       95.31897 141.4284       114.7292 236.5994       171.2690 37.08768 13.70004 44.48707 16.67800 -7.399395      21.58348 
1 1 1 -18 7  34 o 43.76252 13.14227 213.1689       106.1006 138.2504       135.2544 333.0285       171.0775 36.64682 14.52589 50.74229 16.88001 -14.09547      22.26963 
1 1 1 -18 7  35 f 33.15609 12.30558 115.3551       92.77882 175.3875       125.3440 42.60577       137.9828 38.43427 14.29544 30.07577 13.37471 8.358500       19.57658 
1 1 1 -18 8  1  o 91.09875 5.165920 713.5104       80.03334 655.2385       103.8932 798.5630       125.5168 87.01858 7.052203 96.00574 7.721310 -8.987167      10.45716 
1 1 1 -18 8  2  o 32.45857 9.449992 92.81911       55.55694 57.16805       68.10792 163.7157       96.04483 28.72848 10.56515 42.87108 12.40888 -14.14260      16.29732 
1 1 1 -18 8  3  f 236.3375 5.261282 4786.882       212.3372 4465.340       299.2108 5113.106       301.3813 227.7814 7.692315 243.8543 7.237423 -16.07294      10.56182 
1 1 1 -18 8  4  o 433.1672 8.073656 16159.47       597.2109 15093.07       856.3055 17169.41       833.3304 416.4479 12.04110 444.8860 10.96899 -28.43811      16.28824 
1 1 1 -18 8  5  o 146.2651 4.987718 1832.594       124.5789 1925.130       169.3463 1723.448       183.9165 149.7269 6.623293 141.3307 7.648943 8.396133       10.11802 
1 1 1 -18 8  6  o 211.0683 5.544266 3818.988       199.8338 3788.994       279.8094 3850.213       285.4918 209.8278 7.809032 211.4956 7.904789 -1.667801      11.11156 
1 1 1 -18 8  7  o 118.4429 6.246738 1207.186       125.8999 1241.822       133.7376 937.3949       373.2527 120.0895 6.546192 99.80013 22.44552 20.28935       23.38063 
1 1 1 -18 8  8  o 108.6350 5.225141 1011.263       96.93253 1106.307       117.5807 809.6454       171.2528 113.3911 6.094684 96.11288 10.61100 17.27824       12.23677 
1 1 1 -18 8  9  o 108.4527 5.503631 1010.904       101.5935 988.0604       126.3871 1052.615       170.7850 107.0067 6.954292 110.0468 9.171572 -3.040131      11.50999 
1 1 1 -18 8  10 o 58.04361 7.724818 294.9921       74.66619 340.3855       94.82043 220.9057       121.1365 62.12812 9.216887 49.48994 13.80935 12.63818       16.60269 
1 1 1 -18 8  11 o 164.2832 5.724601 2315.156       160.5980 2337.476       206.6601 2281.127       255.1758 164.8264 7.342228 162.2115 9.250368 2.614899       11.81007 
1 1 1 -18 8  12 o 107.3411 5.762895 991.4590       105.2489 1050.862       132.1746 888.5269       173.9881 110.3120 7.053463 100.7297 10.25802 9.582359       12.44903 
1 1 1 -18 8  13 o 116.5605 5.812925 1166.156       115.7040 1048.256       151.3881 1331.763       179.4204 109.9474 8.120616 123.9050 8.531713 -13.95755      11.77856 
1 1 1 -18 8  14 o 170.1437 8.394137 2500.108       243.8900 2808.914       664.7850 2452.081       262.1706 172.9091 23.09144 168.0788 9.168809 4.830307       24.84515 
1 1 1 -18 8  15 f 142.7782 7.481011 1761.991       181.7652 1974.383       531.4224 1733.851       193.4315 144.8183 22.19662 141.4972 8.038468 3.321045       23.60735 
1 1 1 -18 8  16 o 33.55031 12.53901 76.36054       96.66299 38.51437       139.5452 111.2722       134.0260 34.97303 14.42793 39.72409 14.78085 -4.751057      20.65523 
1 1 1 -18 8  17 o 195.3741 5.959696 3281.477       198.8350 3264.256       275.0484 3300.329       287.7733 194.2435 8.292026 195.2068 8.632841 -0.9632263     11.97011 
1 1 1 -18 8  18 o 77.75082 8.242927 528.9147       107.7739 666.4049       140.9950 335.6781       167.1524 87.01926 9.650786 60.08146 16.00464 26.93781       18.68920 
1 1 1 -18 8  19 o 64.21143 23.62831 349.3063       340.7245 349.3063       340.7245 0.000000       0.000000 64.21143 23.62831 ?        ?        0.000000       23.62831 
1 1 1 -18 8  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 8  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 8  22 o 158.9066 9.196433 2208.388       248.4864 0.000000       0.000000 2208.388       248.4864 ?        ?        158.9066 9.196433 0.000000       9.196433 
1 1 1 -18 8  23 o 47.41230 16.65231 189.8539       166.9720 -97.79249      276.8148 354.3669       209.3438 40.93546 18.51169 61.07473 18.48730 -20.13927      26.16225 
1 1 1 -18 8  24 o 39.94419 15.25991 110.9412       144.9827 554.3856       301.5196 -22.42046      165.3528 74.00680 22.13908 33.76899 14.84523 40.23781       26.65557 
1 1 1 -18 8  25 o 165.2111 7.168511 2375.117       202.2414 2566.488       348.3004 2277.776       248.4075 168.4044 12.19406 160.6430 9.092566 7.761398       15.21084 
1 1 1 -18 8  26 o 114.1729 8.533881 1155.942       165.1809 481.4975       306.0161 1433.243       196.2218 66.96567 22.57823 126.8704 9.117821 -59.90472      24.34976 
1 1 1 -18 8  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 8  28 o 52.28865 15.44123 276.4832       147.4009 325.3599       267.6822 255.2132       176.5847 55.62707 20.85118 50.31931 17.15027 5.307766       26.99821 
1 1 1 -18 8  29 o 84.52253 8.343977 646.5673       118.8616 728.4194       158.3369 540.8863       179.9144 88.19950 10.73404 72.91564 14.95109 15.28386       18.40529 
1 1 1 -18 8  30 o 86.58975 6.719668 668.4962       98.58286 662.8742       128.8088 676.4456       153.1685 84.81136 9.032857 84.33646 10.88973 0.4749069      14.14845 
1 1 1 -18 8  31 o 85.90797 6.940944 665.1551       100.9552 704.5071       135.6214 616.2510       151.1880 86.66842 9.309478 79.21049 11.51437 7.457932       14.80699 
1 1 1 -18 8  32 o 51.32890 10.67775 263.2664       90.54472 362.4279       112.7919 83.55384       151.8434 59.84077 11.45494 34.64600 14.71867 25.19477       18.65087 
1 1 1 -18 8  33 o 48.40244 12.60920 252.8385       105.2634 202.2896       129.8146 349.8858       179.8702 42.04205 14.68764 51.98746 17.30903 -9.945408      22.70087 
1 1 1 -18 8  34 o 36.81869 12.42332 148.2920       92.64957 184.7242       123.4979 101.3901       140.1239 39.69496 14.28149 33.77644 14.23265 5.918518       20.16257 
1 1 1 -18 9  1  o 44.84712 7.714033 178.0887       56.94675 147.6915       75.46616 218.2876       86.78455 40.51414 10.73569 49.21907 10.63583 -8.704929      15.11211 
1 1 1 -18 9  2  o 271.0438 5.924213 6306.187       274.2029 6228.303       387.6865 6384.147       387.8765 268.6264 8.451427 272.0011 8.350662 -3.374725      11.88108 
1 1 1 -18 9  3  o 162.8764 4.776279 2272.850       132.8464 2197.413       182.4627 2357.949       193.7955 159.8900 6.682683 165.5992 6.853044 -5.709167      9.571962 
1 1 1 -18 9  4  o 40.03119 8.234550 143.1883       54.41256 119.2304       68.15144 185.3127       90.36849 36.60705 10.40873 45.28115 11.62682 -8.674099      15.60528 
1 1 1 -18 9  5  o 231.2231 4.941231 4581.474       195.1049 4568.771       273.7891 4594.579       278.1017 230.4943 6.955911 231.1228 7.046263 -0.6285095     9.901238 
1 1 1 -18 9  6  o 95.38139 4.979015 781.7323       80.81652 780.2535       104.5133 783.9315       127.4542 95.08341 6.475284 95.05846 7.923859 0.2495575E-01  10.23312 
1 1 1 -18 9  7  o 134.1538 4.440299 1541.165       101.7225 1539.048       146.4734 1543.138       141.3766 133.8499 6.408238 134.0567 6.175714 -0.2067413     8.899716 
1 1 1 -18 9  8  o 220.5340 5.973757 4174.930       224.9703 4374.531       299.2746 3915.592       341.1307 225.3264 7.777785 212.7407 9.390059 12.58568       12.19291 
1 1 1 -18 9  9  o 239.4763 5.953182 4923.200       243.4522 5262.486       326.9511 4500.989       364.7245 247.1285 7.747437 228.0717 9.364652 19.05679       12.15399 
1 1 1 -18 9  10 o 125.1949 5.651754 1344.973       120.8291 1397.491       149.0741 1244.394       206.3002 127.2809 6.884218 119.3346 10.22218 7.946304       12.32418 
1 1 1 -18 9  11 o 70.64954 6.697809 433.0346       79.84063 407.9579       98.42387 481.2886       136.5310 68.18758 8.646961 73.54345 11.22727 -5.355865      14.17115 
1 1 1 -18 9  12 o 125.8346 5.652710 1359.253       121.4671 1421.914       151.9819 1248.456       202.0956 128.3414 6.960657 119.5245 9.993114 8.816948       12.17838 
1 1 1 -18 9  13 o 93.76593 6.568762 759.9533       104.5151 680.0126       135.4441 877.6120       164.3190 88.15375 9.129748 100.1110 9.734916 -11.95723      13.34619 
1 1 1 -18 9  14 o 135.6323 8.785375 1599.052       202.3881 1909.968       565.4716 1553.373       216.7462 140.7407 24.41331 133.4506 9.574699 7.290070       26.22374 
1 1 1 -18 9  15 o 246.3574 8.102307 5246.864       340.8602 6101.103       1159.694 5166.088       356.6120 248.7955 27.76978 244.2830 8.548715 4.512527       29.05583 
1 1 1 -18 9  16 o 93.74341 9.011386 769.1525       142.4786 546.8532       399.7175 801.5077       152.4952 75.96458 25.80348 95.59300 9.466184 -19.62842      27.48506 
1 1 1 -18 9  17 o 29.82811 12.10697 34.94351       96.29301 32.96454       108.7296 42.14011       207.3439 31.15151 12.77983 41.29563 17.35239 -10.14412      21.55063 
1 1 1 -18 9  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 9  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 9  20 o 177.3426 6.324885 2710.488       191.5436 3121.797       292.2236 2400.657       253.6256 189.4109 9.034589 165.8881 8.986672 23.52278       12.74300 
1 1 1 -18 9  21 o 125.7825 6.863202 1370.925       146.8603 1580.547       231.4720 1229.691       189.9988 133.9426 10.19653 118.3116 9.483918 15.63098       13.92529 
1 1 1 -18 9  22 o 123.6804 7.150517 1328.512       150.3777 1214.066       210.4708 1447.860       214.9316 117.0109 10.64984 128.1686 9.896770 -11.15772      14.53840 
1 1 1 -18 9  23 o 96.26437 8.405048 814.7375       136.7824 977.1073       197.4106 664.8060       189.6988 104.3591 11.25557 84.92809 13.53439 19.43097       17.60306 
1 1 1 -18 9  24 o 141.5547 8.078234 1758.517       194.4637 1603.815       386.8978 1810.810       224.9421 128.4786 18.13907 143.0506 9.257923 -14.57198      20.36505 
1 1 1 -18 9  25 o 48.30258 14.72036 223.2786       132.3971 161.6428       182.8157 291.2609       191.9971 44.89056 17.13896 54.42591 17.87165 -9.535351      24.76166 
1 1 1 -18 9  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 9  27 o 46.96005 12.89975 214.6461       106.6209 298.7185       155.5550 140.1500       146.4279 54.18287 15.82350 40.78024 15.39368 13.40263       22.07598 
1 1 1 -18 9  28 o 65.51130 10.29908 401.7721       111.4148 453.0022       169.0475 362.4291       148.1426 66.45029 15.22404 59.62952 14.65308 6.820774       21.13017 
1 1 1 -18 9  29 o 94.99867 6.925073 805.1984       111.5687 768.9905       154.7175 844.4241       161.0361 90.63744 10.17163 95.09572 10.06975 -4.458275      14.31300 
1 1 1 -18 9  30 f 89.76813 10.35052 767.9362       155.7599 982.2361       314.6930 698.4012       179.2576 88.35683 21.13992 83.15382 13.05383 5.203003       24.84550 
1 1 1 -18 9  31 o 55.78413 14.65517 345.5582       141.4162 106.2861       324.1460 401.8057       157.1616 42.06224 19.40001 59.62750 15.34503 -17.56526      24.73520 
1 1 1 -18 9  32 o 51.14173 15.85523 314.9924       152.8225 302.6111       275.4209 320.5000       183.6946 46.69615 19.83012 49.81360 17.46794 -3.117455      26.42655 
1 1 1 -18 9  33 o 35.30091 12.37832 132.1614       92.24320 221.5575       120.0052 3.071668       144.2071 43.51299 14.12150 29.12318 13.24544 14.38981       19.36126 
1 1 1 -18 9  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 10 2  o 114.3252 11.89794 1153.704       228.8791 1479.275       669.7036 1110.648       243.5437 119.4740 32.12785 111.7982 12.99944 7.675797       34.65810 
1 1 1 -18 10 3  o 192.8747 5.181318 3190.496       170.6544 3064.039       240.5476 3318.637       242.1437 188.5618 7.470427 196.2982 7.223619 -7.736435      10.39173 
1 1 1 -18 10 4  o 164.2024 5.089933 2312.023       142.7228 2250.368       197.5929 2379.279       206.3744 161.6606 7.157563 166.2041 7.271305 -4.543427      10.20307 
1 1 1 -18 10 5  o 15.70331 7.324034 -45.51130      48.20708 -52.74978      59.56606 -31.77027      82.07008 17.64478 8.199976 23.02385 10.27148 -5.379076      13.14317 
1 1 1 -18 10 6  o 169.7630 4.597350 2469.346       133.2762 2489.322       206.0242 2454.970       174.7704 170.0371 7.095327 169.0509 6.054086 0.9862823      9.327145 
1 1 1 -18 10 7  o 176.6653 4.661834 2674.569       140.6403 2769.727       202.0250 2585.086       195.9070 179.4552 6.592456 173.3657 6.617362 6.089508       9.340769 
1 1 1 -18 10 8  o 246.1179 4.820208 5192.405       202.5866 4875.218       308.2642 5433.540       268.7791 237.7914 7.591455 251.4288 6.260060 -13.63742      9.839641 
1 1 1 -18 10 9  o 124.8654 5.228830 1337.527       111.4933 1332.853       138.1310 1346.265       188.8635 124.3162 6.529570 124.4018 8.950172 -0.8556366E-01 11.07885 
1 1 1 -18 10 10 o 154.1870 5.352145 2040.132       140.9216 1977.962       175.8668 2151.657       235.5497 151.5865 6.793935 157.4375 8.796560 -5.850983      11.11472 
1 1 1 -18 10 11 o 30.23486 10.81709 68.44814       70.75502 100.0741       91.47243 21.33974       111.6394 35.47631 12.33285 30.73425 12.81039 4.742060       17.78217 
1 1 1 -18 10 12 o 78.91859 10.18431 550.4622       134.0477 555.3308       453.2566 549.9956       140.3249 77.51791 27.41583 78.74500 10.71354 -1.227081      29.43480 
1 1 1 -18 10 13 o 68.70354 7.674504 412.4895       88.50071 251.6917       115.2873 643.2058       138.0958 52.44131 12.95060 85.52206 9.623002 -33.08075      16.13445 
1 1 1 -18 10 14 o 94.37769 14.99810 811.4160       233.6304 680.0146       538.8938 841.8298       259.2622 83.80481 29.86648 95.58369 16.47886 -11.77888      34.11098 
1 1 1 -18 10 15 o 28.00582 13.26748 -189.1528      169.3690 -687.6660      432.3582 -98.78638      184.0809 39.97992 19.49438 32.81686 14.94067 7.163059       24.56124 
1 1 1 -18 10 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 10 18 o 70.89898 9.212756 444.3312       108.9044 536.5125       132.5035 252.4265       191.1829 77.72978 10.23106 53.37678 17.84679 24.35300       20.57140 
1 1 1 -18 10 19 o 143.4525 6.090250 1773.038       149.1919 1633.065       193.8336 1976.492       233.6902 136.8981 8.331070 150.3524 9.145267 -13.45439      12.37104 
1 1 1 -18 10 20 o 32.53527 13.61785 25.40675       126.9055 -59.15953      150.3776 234.6658       236.5520 30.60106 13.75885 53.55285 19.69046 -22.95178      24.02125 
1 1 1 -18 10 21 o 121.2718 6.743688 1276.105       139.1041 1121.047       169.2473 1598.909       244.1990 112.9839 8.842637 134.2211 10.74428 -21.23713      13.91516 
1 1 1 -18 10 22 o 124.7035 6.204805 1345.005       132.1322 1290.444       170.0170 1428.221       209.9704 121.2907 8.257631 126.9754 9.758268 -5.684669      12.78328 
1 1 1 -18 10 23 o 295.7938 6.052385 7580.570       305.7156 7386.664       385.4110 7909.601       502.0493 290.6257 7.765835 298.5971 9.845976 -7.971436      12.53999 
1 1 1 -18 10 24 o 121.0916 11.16358 1335.654       228.2452 1335.654       228.2452 0.000000       0.000000 121.0916 11.16358 ?        ?        0.000000       11.16358 
1 1 1 -18 10 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 10 26 o 53.36113 10.72303 268.1923       94.32088 283.4357       121.4135 244.9902       149.7923 53.74171 13.30142 49.42909 15.74978 4.312618       20.61513 
1 1 1 -18 10 27 o 89.39397 7.555641 714.9655       114.2601 796.8578       162.4612 634.8099       160.7292 92.55085 10.46314 81.55396 11.89091 10.99689       15.83891 
1 1 1 -18 10 28 o 65.96086 10.87784 415.4586       118.2550 300.1274       162.6563 544.7651       172.2295 52.71789 16.35963 73.12024 14.30564 -20.40235      21.73221 
1 1 1 -18 10 29 o 40.52713 12.70417 166.0499       97.80981 257.0369       145.9555 91.88229       131.7766 48.52379 15.55581 35.01913 14.18084 13.50466       21.04945 
1 1 1 -18 10 30 o 29.47103 11.99063 58.29329       94.72509 -52.72078      113.5582 312.2338       171.7495 24.66185 11.41239 51.04521 16.90990 -26.38336      20.40067 
1 1 1 -18 10 31 f 37.73729 12.64565 149.7796       95.98887 2.737282       125.5227 356.8738       148.9653 28.19907 12.63262 55.39931 15.25988 -27.20024      19.81027 
1 1 1 -18 10 32 o 28.54488 11.79088 56.54074       93.36111 140.5000       110.1842 -157.1730      175.7930 36.30556 13.42299 26.28930 12.72865 10.01626       18.49852 
1 1 1 -18 10 33 o 63.79894 9.227136 403.1467       97.60692 416.0654       124.7737 382.7743       156.6882 61.73968 12.26700 54.49281 15.87159 7.246872       20.05958 
1 1 1 -18 11 1  o 167.5174 5.201523 2407.438       148.7964 2330.209       204.0202 2495.196       217.4843 164.4384 7.265540 170.1119 7.486717 -5.673462      10.43259 
1 1 1 -18 11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 7  o 395.3805 23.37578 14725.14       1571.263 13542.37       2753.780 15296.09       1913.283 328.9357 50.65014 393.9735 28.63452 -65.03787      58.18396 
1 1 1 -18 11 8  o 210.1800 14.90945 3945.446       531.6522 3733.615       1000.934 4028.697       627.4857 190.5846 31.88111 210.5967 17.60980 -20.01208      36.42129 
1 1 1 -18 11 9  o 166.3190 13.90061 2463.471       391.1810 2324.072       798.3842 2507.508       448.7350 149.0072 32.30747 166.7377 15.95471 -17.73056      36.03228 
1 1 1 -18 11 10 o 65.35262 17.30864 399.4196       196.2287 -293.6796      576.0922 490.3890       208.7094 55.77653 25.77349 72.40410 17.14504 -16.62757      30.95521 
1 1 1 -18 11 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 15 o 138.0467 5.829285 1639.104       137.4179 1674.560       178.0554 1586.878       216.0993 138.9972 7.529569 134.7196 9.453215 4.277588       12.08543 
1 1 1 -18 11 16 o 102.1615 10.57389 922.8517       181.7990 0.000000       0.000000 922.8517       181.7990 ?        ?        102.1615 10.57389 0.000000       10.57389 
1 1 1 -18 11 17 o 100.4530 10.49108 893.1863       177.3086 0.000000       0.000000 893.1863       177.3086 ?        ?        100.4530 10.49108 0.000000       10.49108 
1 1 1 -18 11 18 o 105.2974 7.173941 963.3323       128.2277 951.3018       145.3259 1005.624       272.4761 104.3535 8.221785 104.3255 15.78814 0.2795410E-01  17.80065 
1 1 1 -18 11 19 o 136.8658 6.606145 1619.204       154.3992 1717.534       188.8056 1420.695       268.2648 140.3794 7.908284 125.6122 12.67987 14.76717       14.94390 
1 1 1 -18 11 20 o 41.74459 12.20708 159.3535       92.52275 247.1603       110.3137 -48.94293      169.9049 51.51934 12.63510 32.96883 14.73839 18.55052       19.41303 
1 1 1 -18 11 21 o 148.8136 5.666776 1913.579       144.0059 2035.925       182.0489 1709.036       235.3889 153.0331 6.966275 138.5806 10.01418 14.45258       12.19889 
1 1 1 -18 11 22 o 27.65864 11.52605 22.59604       90.34963 84.86858       102.6922 -190.7532      190.0793 34.16351 12.89250 29.50447 13.99996 4.659044       19.03196 
1 1 1 -18 11 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 24 o 28.26735 12.14495 8.945370       105.5088 -122.9781      148.6970 142.7124       149.7323 26.99722 12.67891 41.37262 15.57775 -14.37540      20.08535 
1 1 1 -18 11 25 o 34.05621 12.92231 89.48899       103.5239 -39.30136      129.5175 317.3476       172.2739 28.12767 12.69632 55.18897 16.78535 -27.06130      21.04625 
1 1 1 -18 11 26 o 29.34583 11.63925 54.47625       86.88953 -139.2831      113.2955 331.2108       135.3983 21.83799 10.48351 57.26012 13.97085 -35.42213      17.46679 
1 1 1 -18 11 27 o 91.79517 6.706303 750.3058       104.3972 748.5521       126.5542 754.0411       184.6926 90.74296 8.257326 87.64278 12.71137 3.100182       15.15792 
1 1 1 -18 11 28 o 38.56042 12.13784 148.3739       89.18045 115.7534       121.0738 187.0626       131.8552 36.18153 13.91587 42.43854 14.80396 -6.257011      20.31769 
1 1 1 -18 11 29 o 31.07723 12.26636 76.52161       96.07153 22.06823       114.9690 202.5430       174.9003 28.69480 12.50210 42.93390 16.66593 -14.23911      20.83401 
1 1 1 -18 11 30 o 38.01053 11.76075 150.1679       84.13129 186.0916       101.8083 72.80779       149.4001 41.52975 12.95192 33.61310 14.44713 7.916653       19.40288 
1 1 1 -18 11 31 o 21.32194 9.800826 -33.41916      81.76270 -70.15047      99.64925 42.25621       143.0319 21.81522 10.28675 31.07898 13.72856 -9.263760      17.15490 
1 1 1 -18 11 32 o 29.48452 12.00157 72.31277       94.95229 -26.67506      112.5054 317.3933       177.0260 24.82941 11.44395 47.51468 17.09826 -22.68526      20.57461 
1 1 1 -18 12 1  o 192.1183 4.865320 3166.425       159.6180 3295.843       251.9171 3079.618       206.3182 195.3549 7.551468 189.1429 6.387713 6.211975       9.890781 
1 1 1 -18 12 2  o 56.72293 6.662024 280.7990       63.30208 264.7160       81.41129 305.3911       100.6697 54.55371 9.056538 58.34596 10.48945 -3.792248      13.85819 
1 1 1 -18 12 3  o 193.5707 5.666378 3219.246       187.3040 3129.443       250.7769 3332.550       281.6849 190.3482 7.715015 196.2179 8.406649 -5.869720      11.41022 
1 1 1 -18 12 4  o 187.1533 5.009401 3005.297       160.0978 2770.668       235.1106 3208.154       218.6133 179.1093 7.686916 193.0130 6.632667 -13.90367      10.15288 
1 1 1 -18 12 5  o 99.97350 5.878241 862.0032       99.91231 788.8860       126.2155 984.7178       163.5124 95.24739 7.829227 106.1700 9.106915 -10.92258      12.00969 
1 1 1 -18 12 6  f 88.56361 6.270335 678.1042       94.21747 631.5645       116.8582 764.5529       159.2672 85.08600 8.142063 93.17821 10.17483 -8.092209      13.03151 
1 1 1 -18 12 7  o 178.7840 5.044545 2742.714       154.0113 2950.003       233.2059 2582.377       205.1006 184.8952 7.386045 173.0984 6.938599 11.79675       10.13399 
1 1 1 -18 12 8  o 207.8010 7.125168 3723.905       252.8393 0.000000       0.000000 3723.905       252.8393 ?        ?        207.8010 7.125168 0.000000       7.125168 
1 1 1 -18 12 9  o 74.25404 7.656746 481.1777       95.69518 445.5784       104.5148 665.7999       238.0121 71.17733 8.785151 84.54723 17.07337 -13.36990      19.20101 
1 1 1 -18 12 10 o 114.9434 5.836518 1138.843       114.1858 1204.808       143.6919 1025.807       188.0970 117.9561 7.167591 107.9712 10.32768 9.984901       12.57121 
1 1 1 -18 12 11 o 184.5430 6.076360 2930.532       191.4886 2935.843       242.3308 2921.704       312.4531 184.2777 7.700767 182.7816 10.04896 1.496048       12.66031 
1 1 1 -18 12 12 f 96.18628 6.267807 800.0411       102.3885 755.0085       120.3107 918.3238       194.9852 93.14236 7.631043 101.6792 11.42763 -8.536819      13.74131 
1 1 1 -18 12 13 o 54.23472 8.689069 261.4800       77.75654 311.7908       88.79749 96.06552       161.0115 59.23756 9.066604 40.50434 15.91400 18.73322       18.31553 
1 1 1 -18 12 14 o 96.97565 6.439773 814.2121       106.0373 876.6830       131.4082 697.6128       179.5276 100.3457 7.728171 88.10075 12.26575 12.24496       14.49735 
1 1 1 -18 12 15 o 90.86201 6.313514 715.1304       97.35324 625.3079       111.8547 995.7363       197.7016 84.59869 7.831473 105.8769 11.09978 -21.27826      13.58444 
1 1 1 -18 12 16 o 189.2902 5.849105 3087.158       189.0686 2829.259       239.5477 3513.255       307.9083 180.5910 7.767727 200.7061 8.983775 -20.11511      11.87627 
1 1 1 -18 12 17 o 70.55417 17.67557 480.6825       212.5155 0.000000       0.000000 480.6825       212.5155 ?        ?        70.55417 17.67557 0.000000       17.67557 
1 1 1 -18 12 18 o 148.7145 5.834154 1909.411       148.1608 1702.873       180.2613 2339.462       260.1136 139.7170 7.583703 162.9427 9.387896 -23.22572      12.06835 
1 1 1 -18 12 19 o 53.00733 9.501940 254.7511       82.85072 164.4661       95.25109 535.3625       167.9248 42.21603 12.39743 75.73354 13.47851 -33.51751      18.31301 
1 1 1 -18 12 20 o 208.0683 5.347165 3741.958       189.9903 3677.642       236.2656 3859.655       319.6112 205.5428 6.731260 209.0343 8.953698 -3.491516      11.20172 
1 1 1 -18 12 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 12 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 12 23 o 33.28555 11.76467 94.13942       83.45162 155.3023       101.9368 -30.15488      145.3158 40.57773 12.99926 30.37002 13.59958 10.20771       18.81301 
1 1 1 -18 12 24 o 74.95399 7.485777 502.5259       94.53349 557.1061       118.8953 408.7171       155.8723 78.15337 9.077813 63.63275 14.64793 14.52061       17.23278 
1 1 1 -18 12 25 o 27.14091 11.19956 32.93493       84.10852 -44.95480      108.9724 147.7110       132.2824 25.18295 11.47684 40.07441 14.72613 -14.89145      18.67021 
1 1 1 -18 12 26 o 35.44682 11.34899 120.1390       77.70629 128.3997       88.52067 92.39131       162.2368 36.59741 12.14069 37.20986 15.47056 -0.6124496     19.66557 
1 1 1 -18 12 27 o 21.53806 9.702371 -22.52990      75.19510 67.21549       93.38428 -188.0206      126.8103 30.41010 12.06482 21.59754 10.53689 8.812561       16.01830 
1 1 1 -18 12 28 o 43.61391 11.74678 196.1091       89.44395 180.2748       103.4645 242.9458       177.9445 41.25850 13.08356 45.50582 17.01169 -4.247326      21.46106 
1 1 1 -18 12 29 o 48.22450 11.12844 237.9260       89.78155 241.2841       110.1975 231.2961       154.8395 47.03756 13.18740 44.26054 15.98247 2.777020       20.72069 
1 1 1 -18 12 30 o 22.81989 10.34716 -18.63779      87.15317 -31.81030      109.5537 4.069073       143.8372 24.63348 11.33108 29.25979 13.27702 -4.626316      17.45488 
1 1 1 -18 12 31 o 40.93575 11.23652 180.1545       80.93425 149.8213       96.26671 253.2861       149.4753 36.70062 12.65795 44.18134 15.73127 -7.480717      20.19150 
1 1 1 -18 13 1  o 117.8895 5.196843 1195.306       104.6204 1221.315       146.4460 1168.197       149.5129 118.5423 7.269496 115.8314 7.600922 2.710884       10.51758 
1 1 1 -18 13 2  o 173.0637 4.928052 2573.125       145.6409 2670.583       221.9939 2499.480       192.9758 175.6343 7.401674 170.1429 6.641821 5.491425       9.944776 
1 1 1 -18 13 3  o 120.4808 5.465424 1248.408       112.4459 1194.866       147.2585 1323.288       174.1471 117.2961 7.389591 123.1884 8.327265 -5.892296      11.13326 
1 1 1 -18 13 4  o 123.9440 5.308049 1320.411       112.3472 1341.058       153.8702 1296.835       164.4199 124.3429 7.278285 122.0904 7.929203 2.252533       10.76316 
1 1 1 -18 13 5  o 29.57556 10.88525 62.03520       72.31784 50.52240       81.33746 105.4798       158.0041 29.38041 11.37629 40.88877 15.84929 -11.50836      19.50949 
1 1 1 -18 13 6  o 178.0475 4.913154 2721.664       149.3819 2718.005       227.0085 2724.458       198.3882 177.2820 7.498521 177.7637 6.535378 -0.4817810     9.946807 
1 1 1 -18 13 7  o 44.53869 11.02287 180.7584       83.38392 193.4733       89.07635 90.70650       237.0562 46.03822 11.39226 45.85200 18.84735 0.1862144      22.02285 
1 1 1 -18 13 8  o 85.26830 6.371418 629.9846       92.10354 780.1378       116.9117 384.3360       149.5367 94.74119 7.282067 64.51762 13.97684 30.22356       15.76010 
1 1 1 -18 13 9  o 162.9598 5.109751 2281.313       142.1943 2234.340       209.0471 2321.760       193.9829 160.6762 7.618872 163.9803 6.927394 -3.304092      10.29738 
1 1 1 -18 13 10 o 99.34556 6.038048 853.1559       101.9489 720.3101       132.8291 1043.604       159.0404 90.63358 8.688757 109.2662 8.592865 -18.63261      12.22014 
1 1 1 -18 13 11 o 218.5074 5.260201 4105.036       196.2774 4087.065       300.9489 4118.339       258.9237 216.9930 8.121668 218.3008 6.945676 -1.307816      10.68662 
1 1 1 -18 13 12 o 81.90463 6.970625 584.1477       96.56772 606.9879       118.3722 538.7011       166.9747 83.12925 8.456356 76.73672 13.21936 6.392525       15.69272 
1 1 1 -18 13 13 o 123.5840 5.565312 1315.382       117.4502 1306.311       147.7969 1330.927       193.4810 122.6338 7.087754 123.0513 9.275885 -0.4174728     11.67383 
1 1 1 -18 13 14 o 83.00523 6.485459 599.1549       91.19785 558.5704       104.6424 727.3525       185.9806 79.80602 7.777220 89.48624 12.51277 -9.680214      14.73278 
1 1 1 -18 13 15 o 99.07784 6.158720 851.6763       103.6845 782.6207       117.5019 1094.585       220.3771 94.64435 7.327332 110.1534 11.90500 -15.50901      13.97923 
1 1 1 -18 13 16 o 91.59768 6.536382 730.8883       101.5695 777.0031       112.9081 535.2635       232.5505 94.30259 7.062609 73.42822 18.54213 20.87437       19.84165 
1 1 1 -18 13 17 o 107.1680 10.91167 1036.379       196.9054 0.000000       0.000000 1036.379       196.9054 ?        ?        107.1680 10.91167 0.000000       10.91167 
1 1 1 -18 13 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 13 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 13 20 o 18.03933 8.351187 -46.66378      60.89936 -28.74042      66.11600 -146.9860      156.4211 20.15363 9.086481 27.10105 12.81245 -6.947422      15.70742 
1 1 1 -18 13 21 o 38.67213 11.94992 140.1624       86.89149 187.8802       106.9290 47.39593       149.0907 44.14362 13.17921 34.87076 14.68669 9.272854       19.73298 
1 1 1 -18 13 22 o 45.06326 11.30506 194.9056       86.84861 257.2660       108.0711 81.20029       145.9305 51.38129 12.44808 36.42080 14.85776 14.96049       19.38318 
1 1 1 -18 13 23 o 105.8766 6.223277 987.7132       112.0231 1132.133       135.1623 670.8510       200.2061 112.8933 7.046288 81.40359 14.95334 31.48973       16.53035 
1 1 1 -18 13 24 o 27.44735 10.93573 46.11786       77.02420 -29.93168      94.92610 192.6891       131.7837 24.11025 10.87742 43.72649 14.81624 -19.61623      18.38040 
1 1 1 -18 13 25 o 106.3071 5.858940 999.3431       105.9505 1136.222       135.3208 782.5077       170.3181 112.4983 7.080073 89.90797 11.34592 22.59035       13.37376 
1 1 1 -18 13 26 o 30.49748 10.80335 84.43757       70.40848 40.93110       83.77991 189.0478       129.9122 27.20491 11.19611 42.14039 14.69479 -14.93548      18.47403 
1 1 1 -18 13 27 o 70.69028 7.341916 459.1094       87.33517 430.3238       98.62219 563.7164       188.0041 67.43512 8.771869 69.96223 16.07407 -2.527107      18.31178 
1 1 1 -18 13 28 o 22.22304 9.793057 -1.485012      72.35313 -43.03944      83.36584 125.3666       145.6557 21.16980 9.790026 36.49221 14.86042 -15.32242      17.79541 
1 1 1 -18 13 29 o 71.22971 7.115588 470.7554       85.39320 443.9691       100.1306 542.1948       163.5234 67.72066 8.871910 68.88377 14.36656 -1.163109      16.88516 
1 1 1 -18 14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 14 3  o 56.73240 9.227551 289.3639       86.32385 211.2553       108.2763 425.6131       143.0049 47.58879 12.96942 67.77232 12.82627 -20.18354      18.24059 
1 1 1 -18 14 4  o 48.05680 9.213234 209.0007       72.85675 276.4556       89.03079 72.25262       126.7634 55.28371 9.788899 35.53783 14.07007 19.74588       17.14029 
1 1 1 -18 14 5  o 82.03166 16.81653 644.7153       227.6587 0.000000       0.000000 644.7153       227.6587 ?        ?        82.03166 16.81653 0.000000       16.81653 
1 1 1 -18 14 6  o 79.87212 6.395969 555.1772       86.50573 399.4113       118.9576 729.9958       126.0230 66.39291 10.86841 91.15559 8.183055 -24.76268      13.60459 
1 1 1 -18 14 7  o 200.3663 5.816448 3464.574       199.0143 3519.935       265.4785 3393.551       300.6979 201.1460 7.728871 196.8830 8.943763 4.262970       11.82059 
1 1 1 -18 14 8  o 19.43869 8.747291 -27.99857      60.92889 -17.08941      69.66028 -63.51649      125.6936 21.79030 9.605373 27.26947 12.38832 -5.479170      15.67590 
1 1 1 -18 14 9  o 85.64025 6.329701 637.6978       91.91257 671.9212       121.1926 591.3630       141.0159 87.39550 8.217029 81.21442 10.40736 6.181076       13.26019 
1 1 1 -18 14 10 o 83.70092 6.235228 609.1946       88.48273 649.9873       118.5242 557.8384       132.9880 85.92969 8.175769 78.91599 10.10011 7.013702       12.99444 
1 1 1 -18 14 11 o 128.7082 5.200345 1427.805       114.2984 1308.762       150.0970 1592.115       176.3406 122.4992 7.206995 134.9627 7.683108 -12.46342      10.53427 
1 1 1 -18 14 12 o 54.02819 8.302947 260.9950       74.15306 315.9807       84.60491 78.78211       154.0141 59.47206 8.578781 38.13634 15.37007 21.33573       17.60211 
1 1 1 -18 14 13 o 103.4866 6.823622 934.8782       119.9104 1034.416       135.1255 566.0494       260.1096 108.7024 7.322055 74.39604 20.02951 34.30639       21.32590 
1 1 1 -18 14 14 o 80.93920 8.242383 580.5929       112.3339 580.5929       112.3339 0.000000       0.000000 80.93920 8.242383 ?        ?        0.000000       8.242383 
1 1 1 -18 14 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 14 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 14 17 o 24.82166 10.17333 23.73750       68.81904 38.11256       76.19236 -39.93636      160.3568 27.11508 10.85196 31.73821 14.24392 -4.623127      17.90683 
1 1 1 -18 14 18 o 82.83043 12.42353 645.7350       170.3068 0.000000       0.000000 645.7350       170.3068 ?        ?        82.83043 12.42353 0.000000       12.42353 
1 1 1 -18 14 19 o 26.76894 10.05987 51.44375       62.38595 47.44371       66.72823 79.21189       175.8128 26.79480 10.32397 38.61633 16.08421 -11.82152      19.11246 
1 1 1 -18 14 20 o 51.20764 8.039811 238.3491       67.98853 284.3263       76.66792 69.07673       147.1078 55.92528 8.277992 35.73544 14.78405 20.18984       16.94382 
1 1 1 -18 14 21 o 60.06536 6.854982 322.3260       69.05305 256.8180       78.10708 556.7642       147.7601 52.68509 9.005118 76.38866 11.69995 -23.70357      14.76418 
1 1 1 -18 14 22 o 62.25026 7.073578 348.0782       73.85866 341.9785       85.43080 366.1299       146.9655 61.09148 8.412109 59.55102 14.57104 1.540462       16.82495 
1 1 1 -18 14 23 o 29.81072 10.89134 74.79371       72.20880 72.25938       80.80859 84.83559       160.8545 30.15902 11.42329 36.52064 15.31161 -6.361618      19.10332 
1 1 1 -18 14 24 o 35.39297 11.22302 122.7359       76.13121 58.46294       86.38521 346.2801       161.1042 29.05162 11.57922 55.33094 16.08737 -26.27932      19.82125 
1 1 1 -18 14 25 o 56.90174 8.584213 305.2967       80.81779 430.5308       99.46804 62.02596       138.6332 67.55008 8.834638 32.86597 14.01547 34.68411       16.56757 
1 1 1 -18 14 26 o 102.7739 5.520205 939.4388       96.52650 993.2930       113.0950 794.9637       185.2382 105.0276 6.335422 87.40543 12.78888 17.62221       14.27211 
1 1 1 -18 14 27 f 26.00895 10.25149 50.52261       67.01462 33.38624       75.08556 117.6251       148.5821 25.18413 10.50219 35.76897 14.83282 -10.58484      18.17439 
1 1 1 -18 14 28 o 58.35065 8.253095 326.7119       79.94222 253.3934       92.88539 536.1771       156.9989 48.92216 11.33963 68.87799 13.82840 -19.95583      17.88329 
1 1 1 -18 15 1  o 108.2493 5.528802 1017.180       101.8608 928.6938       140.1612 1116.226       148.2880 102.4687 8.075490 112.5344 7.763964 -10.06577      11.20235 
1 1 1 -18 15 2  o 114.6358 5.374863 1136.503       105.2179 1102.106       140.9967 1179.729       158.0625 112.0213 7.412560 115.6283 8.055342 -3.607071      10.94690 
1 1 1 -18 15 3  o 31.86116 14.71509 -110.9543      187.4378 0.000000       0.000000 -110.9543      187.4378 ?        ?        31.86116 14.71509 0.000000       14.71509 
1 1 1 -18 15 4  o 123.0309 5.122815 1306.832       107.6279 1370.496       152.2874 1243.299       152.1304 125.1468 7.155646 119.0265 7.523345 6.120338       10.38287 
1 1 1 -18 15 5  o 129.8296 11.36368 1526.809       249.4015 0.000000       0.000000 1526.809       249.4015 ?        ?        129.8296 11.36368 0.000000       11.36368 
1 1 1 -18 15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 15 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 15 12 o 25.84427 10.50321 28.85109       72.57829 107.6627       80.45630 -315.4972      168.1759 34.93482 11.57376 23.92480 11.76707 11.01002       16.50503 
1 1 1 -18 15 13 o 173.5965 5.702808 2614.813       169.0564 2715.321       222.6516 2477.984       259.7847 175.9372 7.410818 166.6845 9.161921 9.252686       11.78393 
1 1 1 -18 15 14 o 64.51817 7.072806 368.7682       76.64739 441.7484       87.54831 129.2300       158.6108 70.57323 7.373372 41.06767 15.89058 29.50557       17.51791 
1 1 1 -18 15 15 o 126.9754 5.591130 1400.899       121.2331 1357.866       152.4151 1475.021       200.0324 124.1018 7.223216 128.1250 9.203815 -4.023209      11.69979 
1 1 1 -18 15 16 o 147.3335 5.834546 1891.651       146.7947 2014.918       183.3576 1671.604       244.9806 151.3276 7.095434 134.9657 10.71755 16.36186       12.85345 
1 1 1 -18 15 17 o 65.20706 7.535855 380.7740       82.36731 407.7806       92.29102 275.0640       182.5924 67.22456 8.210110 51.70361 17.44046 15.52095       19.27630 
1 1 1 -18 15 18 o 52.98350 7.852380 254.6446       68.89600 175.0001       78.01559 536.8153       146.8451 42.79441 10.70310 75.04257 11.85264 -32.24816      15.97002 
1 1 1 -18 15 19 o 94.66874 9.155414 819.5663       146.1603 992.0785       300.0952 765.9177       167.3510 94.67031 19.21917 90.12524 11.10890 4.545074       22.19875 
1 1 1 -18 15 20 o 26.27643 9.573787 55.10019       55.74007 35.36972       61.20325 151.0517       134.9683 24.57131 9.761258 40.19397 14.85701 -15.62267      17.77675 
1 1 1 -18 15 21 o 55.82730 7.551220 284.4714       70.14157 313.9497       80.95118 195.6739       140.4986 58.28035 8.374481 43.50954 15.27561 14.77081       17.42057 
1 1 1 -18 15 22 o 48.60492 8.584693 222.2365       68.64806 218.7770       75.53843 238.6463       164.5176 47.69045 9.607558 46.28403 16.50130 1.406414       19.09445 
1 1 1 -18 15 23 o 31.15525 10.06591 92.82098       61.02374 111.4265       66.09924 -14.56260      158.7977 33.72269 10.42290 30.59995 13.91025 3.122738       17.38194 
1 1 1 -18 15 24 o 89.19376 6.067941 713.1848       91.87307 709.5347       104.9864 725.1196       189.8392 88.26120 7.023765 82.24256 14.02001 6.018639       15.68100 
1 1 1 -18 15 25 o 71.39289 6.456913 463.1439       77.86752 436.4774       84.98603 602.6179       194.3616 68.68486 7.360423 71.23398 16.32718 -2.549118      17.90956 
1 1 1 -18 15 26 o 27.63979 9.653296 71.85561       56.07320 94.10474       60.49557 -63.84666      149.4034 30.75197 10.02861 26.89970 12.65726 3.852264       16.14865 
1 1 1 -18 16 1  o 44.27039 16.81486 168.4733       175.3968 0.000000       0.000000 168.4733       175.3968 ?        ?        44.27039 16.81486 0.000000       16.81486 
1 1 1 -18 16 2  o 29.28239 11.41431 54.95631       82.30590 72.83889       107.4284 29.54172       128.0695 33.17315 13.01005 31.99095 13.55023 1.182199       18.78484 
1 1 1 -18 16 3  o 60.99798 7.543447 332.1912       76.90063 535.0003       104.4278 91.91048       113.6664 77.41535 8.015392 35.26756 13.50257 42.14780       15.70241 
1 1 1 -18 16 4  o 25.80489 9.722273 46.42588       58.34108 48.40641       73.26472 42.99361       96.44828 27.71112 10.77824 29.74880 12.10092 -2.037683      16.20502 
1 1 1 -18 16 5  o 24.36770 10.10530 19.05507       68.96729 43.21073       85.47603 -26.00810      116.7470 28.58885 11.47558 27.57133 12.27911 1.017523       16.80671 
1 1 1 -18 16 6  o 66.14691 6.525837 385.6337       72.75292 441.4011       94.25512 303.4357       114.4314 70.28759 7.995060 56.44549 12.22549 13.84210       14.60765 
1 1 1 -18 16 7  o 49.94296 7.900228 224.9865       65.13615 163.7246       80.73464 339.2175       110.2444 41.66208 11.13464 60.24650 11.12560 -18.58442      15.74037 
1 1 1 -18 16 8  o 113.5166 5.136648 1116.258       99.57291 1175.298       136.6094 1049.338       145.4397 115.6014 6.952486 108.7544 7.884873 6.847000       10.51229 
1 1 1 -18 16 9  o 106.2591 5.455982 982.5972       98.66747 943.8704       133.1706 1029.729       146.9132 103.2242 7.608464 107.6094 8.053207 -4.385185      11.07894 
1 1 1 -18 16 10 o 65.40834 8.134106 384.2314       88.89193 417.0316       99.05259 248.5099       201.4895 67.93029 8.741716 50.53000 18.23403 17.40029       20.22121 
1 1 1 -18 16 11 o 30.13029 10.42540 76.92130       65.32871 141.4679       77.81139 -77.25328      120.2577 38.75173 11.15536 25.40147 11.75097 13.35026       16.20270 
1 1 1 -18 16 12 o 55.73283 7.248636 277.9048       67.35445 293.3349       79.48512 238.6065       126.8493 56.83976 8.445776 49.08248 14.27624 7.757275       16.58741 
1 1 1 -18 16 13 o 25.61043 9.523714 48.19936       55.62588 55.35747       60.67411 10.47399       139.2903 27.00968 9.965772 31.72317 13.79174 -4.713488      17.01554 
1 1 1 -18 16 14 o 57.69900 7.437518 299.0921       71.57605 296.8503       78.36436 310.3755       175.8110 57.15507 8.269358 54.37391 17.03049 2.781158       18.93197 
1 1 1 -18 16 15 o 78.61109 7.223752 551.2537       95.88759 630.6587       112.4061 339.0633       183.7505 83.75362 7.954791 56.24259 17.37737 27.51102       19.11156 
1 1 1 -18 16 16 o 23.90162 10.49351 -7.425764      82.37839 78.16924       92.87462 -323.1995      178.3860 31.97685 12.21418 24.26912 11.97144 7.707735       17.10268 
1 1 1 -18 16 17 o 119.6728 6.171830 1264.392       125.6985 1271.554       157.1095 1251.653       209.5298 118.8729 7.782544 115.3100 10.76538 3.562912       13.28388 
1 1 1 -18 16 18 o 84.05206 6.770658 631.7509       96.35692 637.1492       113.3131 617.6531       183.1181 83.65893 8.030363 77.45171 14.37440 6.207222       16.46542 
1 1 1 -18 16 19 o 34.78468 14.59809 74.92206       146.4455 -29.86959      347.8417 97.49812       161.4516 41.08520 19.32617 36.97637 15.40825 4.108826       24.71670 
1 1 1 -18 16 20 o 25.67455 10.17681 43.24732       66.38824 21.51532       73.22918 143.5303       157.3069 24.45254 10.29557 39.23238 15.62912 -14.77984      18.71545 
1 1 1 -18 16 21 o 51.38074 9.175232 252.7778       77.55064 220.6599       87.87085 365.9234       164.9263 46.76789 11.15834 56.02924 16.27325 -9.261356      19.73138 
1 1 1 -18 16 22 o 35.74433 9.861153 126.3690       62.15065 108.8190       67.52510 223.6384       158.9697 33.24099 10.57275 44.11927 16.15383 -10.87828      19.30619 
1 1 1 -18 16 23 o 28.94287 10.27442 77.56500       63.71537 83.68323       68.37875 37.24409       175.5389 29.88388 10.64001 33.18003 14.89615 -3.296144      18.30588 
1 1 1 -18 16 24 o 58.25154 7.642263 319.1050       74.18639 361.6647       80.53507 80.64667       190.6305 61.95543 7.783917 35.12981 15.66463 26.82561       17.49200 
1 1 1 -18 17 1  o 59.36950 9.142183 326.3662       89.71191 498.1545       133.4781 184.8257       121.1584 72.35496 11.16194 43.14161 14.19840 29.21334       18.06055 
1 1 1 -18 17 2  o 124.2507 4.893580 1341.943       103.8311 1243.920       156.2431 1419.471       138.9519 117.8005 7.811283 126.8246 6.437026 -9.024055      10.12183 
1 1 1 -18 17 3  o 35.58241 10.33825 119.6320       66.55298 69.63193       89.96646 180.0647       98.90791 31.02201 11.97779 42.86154 12.64631 -11.83953      17.41828 
1 1 1 -18 17 4  o 80.06895 5.991209 564.4161       81.32449 688.1110       115.5483 442.9990       114.4795 87.56830 7.809013 69.02946 10.00309 18.53883       12.69025 
1 1 1 -18 17 5  o 38.12716 9.325307 136.6457       60.21315 187.8116       78.47646 63.40720       93.88995 44.38176 10.51580 30.84977 12.14227 13.53200       16.06290 
1 1 1 -18 17 6  o 93.67922 5.276078 766.2945       84.05909 840.2960       117.3556 688.3257       120.4602 97.24881 7.116128 87.42738 8.162960 9.821426       10.82928 
1 1 1 -18 17 7  o 42.03163 9.357981 165.7022       65.44154 202.4173       77.87785 77.48431       120.7173 46.25361 10.13938 34.17510 13.66593 12.07851       17.01660 
1 1 1 -18 17 8  o 33.43691 10.09563 104.1602       62.48626 85.08569       71.98285 162.4821       125.8689 31.34935 10.93801 41.41056 14.46295 -10.06121      18.13331 
1 1 1 -18 17 9  o 123.0657 4.951465 1316.214       104.0573 1421.575       148.7017 1215.115       145.6638 126.6877 6.899531 116.8239 7.338890 9.863747       10.07288 
1 1 1 -18 17 10 o 39.68725 9.434161 148.6066       62.99840 152.1337       72.78022 138.0668       125.8106 39.86570 10.53291 39.15412 14.36539 0.7115784      17.81311 
1 1 1 -18 17 11 o 120.2896 5.203368 1261.337       106.8845 1370.564       144.7549 1130.393       158.4924 124.2942 6.846343 111.8152 8.361039 12.47902       10.80645 
1 1 1 -18 17 12 o 68.21887 7.867975 421.7771       89.97742 403.0457       97.06621 536.1501       239.8526 66.19875 8.804909 67.79175 19.60594 -1.593002      21.49231 
1 1 1 -18 17 13 o 47.27058 9.874706 212.7191       77.14038 206.5495       92.43162 226.8776       140.0245 45.73661 11.76689 46.68253 15.25905 -0.9459114     19.26910 
1 1 1 -18 17 14 o 80.06620 7.379626 578.0679       99.76308 541.8104       116.0874 680.4794       195.1015 76.48654 9.064240 81.24146 14.59978 -4.754921      17.18470 
1 1 1 -18 17 15 o 51.31253 10.42249 254.7395       88.21021 272.6906       97.45787 173.3889       207.4680 52.69765 11.17638 43.25637 17.68884 9.441277       20.92382 
1 1 1 -18 17 16 o 81.31358 7.189079 597.9188       98.79625 533.6425       117.7623 750.6685       181.5394 75.37094 9.350380 86.53256 12.65987 -11.16162      15.73855 
1 1 1 -18 17 17 o 21.60401 9.763196 -24.74537      76.85033 11.06824       87.71484 -143.0471      159.4207 25.40802 10.99519 26.27476 12.56618 -0.8667393     16.69739 
1 1 1 -18 17 18 o 46.46072 9.832612 210.2643       75.57843 229.0321       90.71256 167.6671       136.6634 47.65747 11.31527 40.27927 14.93779 7.378201       18.73961 
1 1 1 -18 17 19 o 19.10490 8.922276 -52.95361      71.91610 -76.00118      88.15491 -7.096102      124.3481 20.40386 9.637733 27.93648 12.54005 -7.532625      15.81578 
1 1 1 -18 17 20 o 45.41919 14.45288 232.3758       126.1711 98.65924       346.4867 252.8173       135.4722 41.62756 19.48716 46.92998 14.98064 -5.302422      24.57985 
1 1 1 -18 17 21 o 60.30279 8.357176 345.4130       83.74609 500.0495       100.6326 -2.916051      151.0350 72.79028 8.241063 29.75908 13.54265 43.03120       15.85303 
1 1 1 -18 17 22 o 48.77884 10.27690 241.2891       82.90254 251.8611       92.58986 198.5495       186.1660 49.07619 11.28397 40.82946 16.73313 8.246723       20.18231 
1 1 1 -18 18 1  o 112.6885 5.548315 1115.491       106.7684 973.6775       156.0634 1240.265       146.3872 102.6696 8.992011 117.4062 7.338278 -14.73657      11.60632 
1 1 1 -18 18 2  o 61.28174 8.398951 346.2957       85.58124 286.0609       117.5183 414.3102       124.8769 52.96082 13.07315 65.06339 11.66808 -12.10257      17.52288 
1 1 1 -18 18 3  o 34.17311 10.98302 110.9437       72.72260 -12.21438      104.3651 227.1801       101.3900 26.15102 11.63050 47.50059 12.37540 -21.34957      16.98291 
1 1 1 -18 18 4  o 60.89806 8.000155 339.7358       81.18310 396.7879       114.1744 281.3950       115.4568 64.23234 10.79181 52.60845 12.94094 11.62389       16.85025 
1 1 1 -18 18 5  o 29.57402 11.35553 66.46152       80.53687 100.9092       119.6919 37.96212       108.8686 35.22451 13.75521 29.78025 12.54683 5.444263       18.61797 
1 1 1 -18 18 6  o 36.50022 10.81773 129.2846       72.23860 140.1122       90.65762 110.4527       119.5597 37.83620 12.27354 35.95108 13.82827 1.885117       18.48948 
1 1 1 -18 18 7  o 24.70918 9.985434 33.03285       65.19450 -32.68283      83.92274 133.0481       103.5329 22.30650 10.12944 37.30944 13.11220 -15.00295      16.56911 
1 1 1 -18 18 8  o 33.00526 10.07050 103.6891       61.93763 104.4996       72.21143 101.4329       120.4762 33.29856 10.96151 35.22605 13.78789 -1.927486      17.61422 
1 1 1 -18 18 9  o 44.43887 8.898170 186.5653       65.17007 202.4080       76.92197 146.2707       122.6760 45.75607 10.11369 38.94145 14.20075 6.814625       17.43410 
1 1 1 -18 18 10 o 46.10093 9.228951 202.0608       70.11995 180.4962       88.64258 238.1164       114.6195 42.41223 11.80529 47.82797 13.46364 -5.415745      17.90627 
1 1 1 -18 18 11 o 58.83031 7.952054 318.7076       77.84091 319.3819       104.5702 317.8698       116.5726 57.02005 11.13885 55.95177 12.51407 1.068279       16.75339 
1 1 1 -18 18 12 o 44.55320 10.14469 193.4722       75.45349 204.9874       95.28117 174.1064       123.5633 44.87199 12.14019 41.12760 14.33181 3.744385       18.78256 
1 1 1 -18 18 13 o 40.00207 11.01470 159.4958       77.62819 105.4003       91.28594 300.7998       147.5369 33.79910 12.26143 51.97903 15.47218 -18.17994      19.74161 
1 1 1 -18 18 14 o 28.58690 11.32968 58.03883       82.27151 58.03883       82.27151 0.000000       0.000000 28.58690 11.32968 ?        ?        0.000000       11.32968 
1 1 1 -18 18 15 o 27.38074 10.79757 53.48709       74.37882 47.52148       80.28135 89.63946       197.6312 27.36797 11.07343 37.57988 16.38190 -10.21191      19.77340 
1 1 1 -18 18 16 o 30.11658 10.83036 82.57377       71.01524 91.35574       79.14025 46.27185       160.9039 31.47229 11.41673 33.29598 14.64056 -1.823690      18.56577 
1 1 1 -18 18 17 o 42.03360 10.12627 176.5669       71.82410 174.7930       80.19768 183.7557       161.4446 41.27406 11.12579 40.93196 15.97764 0.3420982      19.46968 
1 1 1 -18 18 18 o 22.04507 9.426311 12.82187       63.01561 -29.40202      66.79626 354.4651       190.0026 19.49424 8.922919 51.75410 17.78682 -32.25986      19.89948 
1 1 1 -18 18 19 o 37.09181 10.36358 140.5500       68.17843 167.5806       73.01809 -43.31936      190.4398 40.44125 10.48557 30.76620 14.41681 9.675043       17.82671 
1 1 1 -18 19 3  o 76.71249 7.214528 535.8242       93.39931 522.2701       127.1838 551.6903       137.6039 73.35069 10.44911 74.86073 11.10034 -1.510040      15.24472 
1 1 1 -18 19 4  o 64.09721 7.633981 378.0558       81.91511 377.2932       118.3703 378.7566       113.4756 61.21283 11.75122 61.78146 11.16680 -0.5686226     16.21075 
1 1 1 -18 19 5  o 23.66570 10.34466 2.295545       79.28793 -131.2549      120.4726 104.3460       105.3108 22.46144 10.79015 34.10201 13.01093 -11.64057      16.90301 
1 1 1 -18 19 6  o 74.12608 7.039793 499.3156       88.04193 598.1883       121.7093 390.7876       127.5136 79.64068 9.113319 61.65222 12.53867 17.98846       15.50067 
1 1 1 -18 19 7  o 19.30900 8.903485 -39.39804      68.21048 63.96299       91.85184 -166.4839      101.8493 29.78037 11.91634 19.01817 9.313504 10.76220       15.12417 
1 1 1 -18 19 8  o 74.52273 6.714984 502.3123       84.53683 537.7507       111.5354 454.4702       129.5926 75.66942 8.795680 67.25327 11.70947 8.416145       14.64499 
1 1 1 -18 19 9  o 55.75331 8.611915 293.4223       79.35024 351.2382       99.45481 192.1551       131.6245 60.12698 10.04028 42.08525 14.78478 18.04173       17.87168 
1 1 1 -18 19 10 o 52.67075 9.763946 269.8449       84.58682 393.8336       112.2860 107.1643       128.6181 63.05971 10.81671 35.14601 14.08767 27.91370       17.76130 
1 1 1 -18 19 11 o 76.26502 7.410094 534.4142       95.28690 539.3313       123.0442 527.0474       150.6080 74.64791 9.896517 71.04202 12.88922 3.605896       16.25032 
1 1 1 -18 19 12 o 118.5406 5.591196 1247.807       113.1810 1469.409       161.6033 1034.462       158.5642 126.5171 7.513673 104.5522 8.967975 21.96494       11.69957 
1 1 1 -18 19 13 o 47.52555 10.25786 225.5580       80.80989 241.7129       102.9633 199.6453       130.4025 47.63343 12.50067 42.14945 14.72110 5.483978       19.31263 
1 1 1 -18 19 14 o 51.77594 10.11288 266.2936       86.20665 237.3830       102.6178 335.6269       158.9149 47.05650 12.54251 52.57476 16.14656 -5.518261      20.44568 
1 1 1 -17 0  1  o 299.9074 8.256886 7712.299       422.1438 7712.299       422.1438 7712.299       422.1438 299.9074 8.256886 299.9074 8.256886 0.000000       0.000000 
1 1 1 -17 0  2  f 64.09986 9.624823 374.5101       98.35014 374.5101       98.35014 374.5101       98.35014 64.09986 9.624823 64.09986 9.624823 0.000000       0.000000 
1 1 1 -17 0  3  o 129.9065 7.734731 1458.316       170.1918 1458.316       170.1918 1458.316       170.1918 129.9065 7.734731 129.9065 7.734731 0.000000       0.000000 
1 1 1 -17 0  4  o 281.7168 30.43705 7152.860       1420.976 7152.860       1420.976 7152.860       1420.976 281.7168 30.43705 281.7168 30.43705 0.000000       0.000000 
1 1 1 -17 0  5  o 194.0672 16.60151 3305.597       540.9134 3305.597       540.9134 3305.597       540.9134 194.0672 16.60151 194.0672 16.60151 -0.000000      0.000000 
1 1 1 -17 0  6  o 780.8647 51.45221 55803.43       6792.569 55803.43       6792.569 55803.43       6792.569 780.8647 51.45221 780.8647 51.45221 0.000000       0.000000 
1 1 1 -17 0  7  o 428.6539 42.53072 16760.27       3042.913 16760.27       3042.913 16760.27       3042.913 428.6539 42.53072 428.6539 42.53072 -0.000000      0.000000 
1 1 1 -17 0  8  o 77.12073 23.62817 637.1068       271.9894 637.1068       271.9894 637.1068       271.9894 77.12073 23.62817 77.12073 23.62817 0.000000       0.000000 
1 1 1 -17 0  9  o 105.0701 22.86890 1074.950       359.5508 1074.950       359.5508 1074.950       359.5508 105.0701 22.86890 105.0701 22.86890 -0.000000      0.000000 
1 1 1 -17 0  10 o 394.5775 39.60563 14177.93       2606.985 14177.93       2606.985 14177.93       2606.985 394.5775 39.60563 394.5775 39.60563 0.000000       0.000000 
1 1 1 -17 0  11 o 127.3415 22.73105 1525.181       447.3831 1525.181       447.3831 1525.181       447.3831 127.3415 22.73105 127.3415 22.73105 0.000000       0.000000 
1 1 1 -17 0  12 o 40.05159 21.77921 195.8102       210.2834 195.8102       210.2834 195.8102       210.2834 40.05159 21.77921 40.05159 21.77921 -0.000000      0.000000 
1 1 1 -17 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  15 f 206.2426 25.22614 3871.615       852.8923 3871.615       852.8923 3871.615       852.8923 206.2426 25.22614 206.2426 25.22614 -0.000000      0.000000 
1 1 1 -17 0  16 o 311.7116 33.24680 8940.507       1719.018 8940.507       1719.018 8940.507       1719.018 311.7116 33.24680 311.7116 33.24680 0.000000       0.000000 
1 1 1 -17 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  18 o 40.75222 17.79182 205.8847       128.7316 205.8847       128.7316 205.8847       128.7316 40.75222 17.79182 40.75222 17.79182 -0.000000      0.000000 
1 1 1 -17 0  19 o 241.2185 9.244659 5016.836       379.5357 5016.836       379.5357 5016.836       379.5357 241.2185 9.244659 241.2185 9.244659 0.000000       0.000000 
1 1 1 -17 0  20 o 34.98883 17.14655 156.7916       121.5676 156.7916       121.5676 156.7916       121.5676 34.98883 17.14655 34.98883 17.14655 0.000000       0.000000 
1 1 1 -17 0  21 o 127.3079 9.515080 1416.525       204.2002 1416.525       204.2002 1416.525       204.2002 127.3079 9.515080 127.3079 9.515080 0.000000       0.000000 
1 1 1 -17 0  22 o 17.67775 12.30968 -120.4826      133.1745 -120.4826      133.1745 -120.4826      133.1745 17.67775 12.30968 17.67775 12.30968 -0.000000      0.000000 
1 1 1 -17 0  23 o 216.6261 8.738729 4056.359       322.0714 4056.359       322.0714 4056.359       322.0714 216.6261 8.738729 216.6261 8.738729 0.000000       0.000000 
1 1 1 -17 0  24 o 33.93472 18.29153 146.1008       147.1223 146.1008       147.1223 146.1008       147.1223 33.93472 18.29153 33.93472 18.29153 -0.000000      0.000000 
1 1 1 -17 0  25 o 131.8701 24.67109 1716.996       498.5994 1716.996       498.5994 1716.996       498.5994 131.8701 24.67109 131.8701 24.67109 -0.000000      0.000000 
1 1 1 -17 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  28 o 81.49132 18.68044 671.0838       226.4013 671.0838       226.4013 671.0838       226.4013 81.49132 18.68044 81.49132 18.68044 0.000000       0.000000 
1 1 1 -17 0  29 o 235.3525 9.533269 4832.167       381.7159 4832.167       381.7159 4832.167       381.7159 235.3525 9.533269 235.3525 9.533269 -0.000000      0.000000 
1 1 1 -17 0  30 o 125.5913 9.561701 1398.978       202.3342 1398.978       202.3342 1398.978       202.3342 125.5913 9.561701 125.5913 9.561701 0.000000       0.000000 
1 1 1 -17 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  32 o 117.5815 8.423664 1227.347       167.1437 1227.347       167.1437 1227.347       167.1437 117.5815 8.423664 117.5815 8.423664 -0.000000      0.000000 
1 1 1 -17 0  33 o 100.4994 8.779967 909.0262       148.0354 909.0262       148.0354 909.0262       148.0354 100.4994 8.779967 100.4994 8.779967 -0.000000      0.000000 
1 1 1 -17 0  34 o 32.35058 17.49855 153.5018       135.0808 153.5018       135.0808 153.5018       135.0808 32.35058 17.49855 32.35058 17.49855 0.000000       0.000000 
1 1 1 -17 0  35 o 22.22176 14.41719 22.51115       130.2657 22.51115       130.2657 22.51115       130.2657 22.22176 14.41719 22.22176 14.41719 -0.000000      0.000000 
1 1 1 -17 0  36 o 48.05965 19.07778 320.2923       151.0545 320.2923       151.0545 320.2923       151.0545 48.05965 19.07778 48.05965 19.07778 -0.000000      0.000000 
1 1 1 -17 0  37 o 19.26444 13.15220 -38.10983      134.9270 -38.10983      134.9270 -38.10983      134.9270 19.26444 13.15220 19.26444 13.15220 -0.000000      0.000000 
1 1 1 -17 1  1  o 133.3234 4.611675 1519.595       104.9946 1533.243       145.8336 1504.908       151.2859 133.8443 6.380520 132.4160 6.712407 1.428268       9.261071 
1 1 1 -17 1  2  o 191.0835 4.961426 3121.787       161.8943 3241.561       215.8914 2967.896       244.7141 194.6212 6.495961 186.1379 7.698785 8.483215       10.07317 
1 1 1 -17 1  3  o 53.77051 8.333106 253.5405       74.04031 256.9206       87.76192 245.1947       137.9049 53.88059 9.903255 52.56975 14.75736 1.310837       17.77229 
1 1 1 -17 1  4  o 267.2774 7.059085 6114.424       322.1904 6219.609       351.3072 5557.625       808.2767 269.5110 7.633234 252.2591 18.90078 17.25192       20.38396 
1 1 1 -17 1  5  o 442.7145 23.83556 17228.32       1795.347 17199.10       3109.227 17242.95       2198.985 428.8987 43.03202 439.6138 29.46245 -10.71503      52.15161 
1 1 1 -17 1  6  o 121.6346 11.51163 1282.119       236.2649 1355.884       399.4825 1242.437       293.0023 123.4877 19.59869 119.1598 14.71157 4.327843       24.50590 
1 1 1 -17 1  7  o 276.3576 16.22891 6621.843       762.5226 6485.209       1319.100 6690.414       934.4729 268.9912 29.18511 276.7372 19.90713 -7.745972      35.32796 
1 1 1 -17 1  8  o 222.6485 17.56919 4318.828       662.5676 4333.902       938.5710 4303.854       935.4610 220.7028 25.36436 219.9226 25.37449 0.7801971      35.87779 
1 1 1 -17 1  9  o 536.3942 35.77457 26159.78       3258.082 27840.95       4607.916 24479.04       4607.332 537.3288 50.82189 498.9094 54.99219 38.41943       74.87994 
1 1 1 -17 1  10 o 51.95740 14.84303 238.6272       138.2523 303.7332       197.5512 176.1339       193.5468 59.02567 17.97964 49.35513 17.86164 9.670547       25.34376 
1 1 1 -17 1  11 o 200.4991 16.38515 3503.164       556.0994 3197.304       783.5361 3813.607       789.3832 188.9848 24.88406 207.4184 22.65473 -18.43364      33.65194 
1 1 1 -17 1  12 o 258.9244 28.31580 6045.354       1231.591 6045.354       1231.591 0.000000       0.000000 258.9244 28.31580 ?        ?        0.000000       28.31580 
1 1 1 -17 1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1  14 o 175.5725 14.63544 2688.075       434.7993 3061.643       626.2531 2340.422       604.1409 185.8410 20.05126 161.4006 22.53412 24.44041       30.16355 
1 1 1 -17 1  15 o 293.2903 31.53964 7967.328       1554.808 0.000000       0.000000 7967.328       1554.808 ?        ?        293.2903 31.53964 0.000000       31.53964 
1 1 1 -17 1  16 o 141.5909 20.77201 1807.925       487.3119 0.000000       0.000000 1807.925       487.3119 ?        ?        141.5909 20.77201 0.000000       20.77201 
1 1 1 -17 1  17 o 182.3967 9.217609 2871.458       286.1718 3048.786       716.1281 2837.759       312.1811 182.8213 23.48107 181.1180 10.13419 1.703354       25.57464 
1 1 1 -17 1  18 o 50.62764 12.88634 231.4176       111.6926 257.2794       173.3292 213.0527       146.0621 54.11329 16.90350 49.45462 15.52831 4.658669       22.95336 
1 1 1 -17 1  19 o 130.0945 7.864220 1461.758       173.8883 1271.240       238.1698 1679.244       254.4688 120.4176 11.73128 138.7960 10.82185 -18.37839      15.96043 
1 1 1 -17 1  20 o 153.5221 6.660259 2025.175       174.6080 2078.501       245.7247 1970.787       248.1592 154.7883 9.340018 150.6160 9.700029 4.172302       13.46575 
1 1 1 -17 1  21 o 90.93895 8.145255 719.0917       125.1500 636.7320       191.6143 780.3623       165.2709 84.08284 13.82567 94.23825 10.44564 -10.15541      17.32802 
1 1 1 -17 1  22 o 123.6175 6.836360 1319.624       143.7528 1460.959       207.4584 1189.085       199.3768 129.4454 9.450486 116.5292 10.11980 12.91621       13.84637 
1 1 1 -17 1  23 o 209.0760 6.312498 3761.917       225.3759 3988.817       344.8553 3592.753       297.7640 214.2557 9.425463 203.6498 8.562218 10.60585       12.73385 
1 1 1 -17 1  24 o 55.51554 12.32996 281.8132       113.8486 269.4253       170.5630 291.7676       152.8947 54.31026 16.73587 56.10463 15.46216 -1.794369      22.78526 
1 1 1 -17 1  25 o 65.89603 16.29213 408.4354       182.2967 465.2045       250.3439 344.3540       265.9788 69.55805 20.00510 61.58007 21.04806 7.977982       29.03833 
1 1 1 -17 1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1  27 o 61.47309 14.30248 352.8166       147.3155 69.18903       198.5343 700.2954       219.7483 41.61274 17.19189 86.77325 15.39360 -45.16051      23.07648 
1 1 1 -17 1  28 o 191.0761 6.828577 3161.116       222.8120 3294.549       308.9872 3016.568       321.5985 193.9062 9.331401 184.8162 10.22978 9.089966       13.84642 
1 1 1 -17 1  29 o 88.71627 10.18875 706.2786       151.5561 676.4180       209.5005 739.0624       219.5155 84.48370 15.07438 88.38383 15.08567 -3.900131      21.32638 
1 1 1 -17 1  30 o 192.1443 6.482524 3216.948       212.7030 2931.477       300.5506 3503.398       301.0650 180.9028 9.765222 198.7826 8.869108 -17.87978      13.19169 
1 1 1 -17 1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 1  32 f 70.99310 8.990073 460.8478       106.5464 274.6270       147.6558 663.1426       153.8966 51.62082 15.50411 84.07710 10.98119 -32.45628      18.99905 
1 1 1 -17 1  33 o 31.81648 11.21771 89.36955       75.82719 75.99409       105.0315 103.9299       109.5851 32.48190 12.82408 35.12667 13.30318 -2.644775      18.47787 
1 1 1 -17 1  34 o 36.17277 12.09189 128.1367       87.76393 128.0997       107.4314 128.2110       152.1734 36.61953 13.29902 38.26287 15.32826 -1.643345      20.29334 
1 1 1 -17 1  35 o 31.21993 12.15734 82.57813       93.29806 29.85313       120.7643 160.6371       146.9405 29.42147 12.81617 39.26087 15.26588 -9.839399      19.93242 
1 1 1 -17 1  36 o 35.62438 12.37789 132.5259       92.13595 112.4054       118.2648 163.5950       146.9606 34.34198 13.59226 38.69769 15.20390 -4.355713      20.39382 
1 1 1 -17 1  37 o 35.14729 12.12667 134.7370       88.35910 92.10963       129.1725 172.2227       121.1320 32.42908 13.66504 38.23928 14.08576 -5.810200      19.62504 
1 1 1 -17 2  1  o 349.0772 6.794014 10433.95       404.9952 9544.942       564.9706 11373.67       580.8592 333.3390 9.925168 363.9976 9.344810 -30.65860      13.63211 
1 1 1 -17 2  2  o 167.3001 5.542468 2394.033       158.3439 2488.939       174.6067 1954.573       375.7290 170.5585 5.994953 149.6367 14.90221 20.92177       16.06285 
1 1 1 -17 2  3  o 244.2150 7.204562 5106.653       300.4567 5081.087       326.1279 5250.138       772.6039 243.5399 7.841804 245.0171 18.60432 -1.477188      20.18947 
1 1 1 -17 2  4  f 299.2937 7.700828 7671.768       393.5836 7755.478       429.2481 7229.888       986.2150 300.8408 8.355449 287.3035 20.23068 13.53726       21.88822 
1 1 1 -17 2  5  o 130.3004 11.46703 1470.202       252.5527 1351.929       436.2350 1529.828       309.7392 122.7237 21.60471 132.5144 13.89444 -9.790657      25.68694 
1 1 1 -17 2  6  f 339.3371 18.98411 10034.09       1095.666 9385.361       1896.342 10359.18       1342.410 320.4084 35.24104 343.1906 23.03956 -22.78220      42.10406 
1 1 1 -17 2  7  f 397.4838 21.75484 13837.64       1471.046 14542.75       2548.349 13485.26       1801.507 397.5885 37.99649 389.6119 27.24863 7.976593       46.75705 
1 1 1 -17 2  8  o 281.0449 16.60855 6858.097       793.5536 7656.741       1374.138 6458.481       972.0198 292.7891 27.81777 271.3036 21.14763 21.48553       34.94353 
1 1 1 -17 2  9  o 351.6740 24.39794 10923.32       1456.133 11463.20       2059.266 10383.42       2059.299 354.6010 34.44166 336.0819 36.46674 18.51907       50.16025 
1 1 1 -17 2  10 f 398.5786 40.52955 14845.30       2720.215 14845.30       2720.215 0.000000       0.000000 398.5786 40.52955 ?        ?        0.000000       40.52955 
1 1 1 -17 2  11 f 154.4855 21.51193 2126.909       552.1034 2126.909       552.1034 0.000000       0.000000 154.4855 21.51193 ?        ?        0.000000       21.51193 
1 1 1 -17 2  12 o 110.6116 19.95313 1100.097       363.0228 1100.097       363.0228 0.000000       0.000000 110.6116 19.95313 ?        ?        0.000000       19.95313 
1 1 1 -17 2  13 f 63.24279 11.93800 355.7535       124.2008 743.7438       201.2713 117.1550       157.8357 91.90583 13.20356 42.56577 16.00022 49.34007       20.74467 
1 1 1 -17 2  14 o 124.1224 19.89399 1383.367       407.4287 0.000000       0.000000 1383.367       407.4287 ?        ?        124.1224 19.89399 0.000000       19.89399 
1 1 1 -17 2  15 o 309.2281 22.17734 8521.481       1163.313 8640.376       1650.050 8403.982       1640.338 304.5239 32.21962 300.0547 32.53455 4.469208       45.78866 
1 1 1 -17 2  16 o 223.4325 9.115832 4294.403       347.8120 4326.712       973.0369 4289.669       372.4167 216.8625 26.84887 223.1858 9.771488 -6.323318      28.57173 
1 1 1 -17 2  17 o 254.0523 8.480206 5551.583       367.9015 5292.353       1066.793 5586.575       391.9467 239.3015 26.55323 254.7312 9.010377 -15.42973      28.04035 
1 1 1 -17 2  18 o 186.0014 8.187046 2977.194       260.0431 2650.708       600.4664 3052.560       288.5005 170.7377 21.03993 188.1924 8.977234 -17.45474      22.87508 
1 1 1 -17 2  19 o 258.5957 7.923356 5757.258       349.8907 4774.864       995.2300 5895.807       373.7500 225.2151 26.37720 261.5643 8.367598 -36.34915      27.67261 
1 1 1 -17 2  20 o 43.63646 11.80172 171.4500       90.06123 119.6668       126.1158 225.3383       128.6538 39.97750 14.42588 49.99747 14.33000 -10.01997      20.33359 
1 1 1 -17 2  21 o 69.80345 9.155007 428.6484       106.4971 394.0281       164.5726 453.5905       139.6877 65.49259 15.03321 71.16416 11.91591 -5.671570      19.18297 
1 1 1 -17 2  22 o 211.7819 6.194379 3856.418       224.0209 3632.356       324.3622 4060.772       309.7683 204.6523 9.281360 216.6983 8.371043 -12.04596      12.49872 
1 1 1 -17 2  23 o 68.48351 9.624510 415.3925       109.4488 301.9089       176.4518 486.3578       139.5349 57.22964 16.89283 73.70500 11.45841 -16.47536      20.41232 
1 1 1 -17 2  24 o 136.3983 7.553728 1613.242       175.2568 1755.172       347.6982 1564.901       202.9198 139.3580 14.83887 133.9272 8.923749 5.430847       17.31547 
1 1 1 -17 2  25 o 124.0265 12.04606 1369.988       251.9116 1407.403       304.5354 1288.905       448.3145 124.5571 14.59414 113.8782 23.81937 10.67899       27.93477 
1 1 1 -17 2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 2  27 o 192.7771 6.499072 3209.651       213.9482 2954.094       306.5577 3452.325       298.7311 183.3643 9.826031 198.9940 8.791006 -15.62965      13.18456 
1 1 1 -17 2  28 o 32.70891 13.47374 39.10078       121.4734 -41.51724      171.7149 119.8589       171.8640 33.51673 14.91185 42.41685 16.50518 -8.900127      22.24375 
1 1 1 -17 2  29 o 54.03563 13.60627 277.1789       125.4739 171.2745       157.6297 460.3325       207.2949 44.82270 16.13388 68.11035 17.67112 -23.28765      23.92845 
1 1 1 -17 2  30 o 71.44668 15.82094 505.1880       187.9334 505.1880       187.9334 0.000000       0.000000 71.44668 15.82094 ?        ?        0.000000       15.82094 
1 1 1 -17 2  31 o 65.57130 9.791732 395.0614       106.2822 369.1492       155.9814 417.5177       145.2077 60.64487 15.11551 65.55988 13.42211 -4.915016      20.21464 
1 1 1 -17 2  32 o 109.9369 6.171658 1063.640       115.3951 991.1514       149.9040 1169.074       180.7868 104.7612 8.451280 113.0725 9.449447 -8.311340      12.67739 
1 1 1 -17 2  33 o 142.5547 5.749464 1784.755       139.9622 1667.721       170.2676 2028.608       245.7770 136.4491 7.334245 147.8887 9.787382 -11.43959      12.23045 
1 1 1 -17 2  34 o 26.31915 11.22745 21.56618       89.01894 35.67179       110.4419 -4.592813      150.4001 29.41547 12.52593 30.65450 13.77351 -1.239029      18.61743 
1 1 1 -17 2  35 o 54.33225 10.13172 291.4528       90.54510 223.0780       123.9253 369.7542       132.6163 44.56972 14.33864 58.38461 13.56083 -13.81489      19.73557 
1 1 1 -17 2  36 o 55.65095 10.36105 311.7905       94.84084 308.9995       119.5460 316.5304       155.7892 52.80185 13.27294 50.39802 16.06232 2.403831       20.83673 
1 1 1 -17 2  37 o 30.39607 12.31898 82.15463       99.53429 85.05637       114.4991 73.17931       201.3717 31.29108 13.00212 34.13116 15.57290 -2.840078      20.28720 
1 1 1 -17 3  1  o 195.5573 6.659313 3274.911       222.3850 3237.246       241.8749 3480.774       565.4707 194.3731 7.287069 199.3870 16.76333 -5.013962      18.27869 
1 1 1 -17 3  2  o 123.0908 6.518022 1300.689       136.5191 1317.956       154.9663 1240.838       288.5069 123.8156 7.362436 118.9308 14.50620 4.884811       16.26762 
1 1 1 -17 3  3  o 51.90135 8.718919 237.2620       74.53567 213.4111       89.67603 290.5578       134.0511 48.86475 11.01070 56.89456 13.91311 -8.029808      17.74289 
1 1 1 -17 3  4  o 360.3113 8.491261 11129.65       522.4587 11347.80       568.3685 9940.601       1326.941 363.7071 9.151163 335.3967 23.31299 28.31039       25.04475 
1 1 1 -17 3  5  f 257.9769 7.283137 5698.843       320.8494 5700.272       350.7785 5691.526       793.8214 257.9365 7.963761 255.2345 18.33518 2.702042       19.99000 
1 1 1 -17 3  6  o 233.7374 14.56925 4735.201       578.6300 4279.341       1001.087 4963.904       709.0746 218.0106 27.50202 238.5558 17.52881 -20.54514      32.61319 
1 1 1 -17 3  7  o 53.30315 12.60676 254.3996       112.9517 319.0528       187.1970 217.3854       141.6409 59.99014 17.31231 50.03301 15.22064 9.957130       23.05177 
1 1 1 -17 3  8  f 250.2429 15.36900 5434.198       653.5856 5363.199       1129.917 5469.899       801.2308 244.3371 27.56201 250.0466 18.90404 -5.709518      33.42196 
1 1 1 -17 3  9  f 42.20387 14.60077 139.0484       128.1333 130.4984       167.0298 151.2754       199.7421 44.29238 16.49672 48.05330 18.01184 -3.760914      24.42474 
1 1 1 -17 3  10 o 366.4756 25.23341 11936.85       1569.525 11704.09       2217.851 12170.37       2221.440 354.9528 37.13970 362.5991 36.36622 -7.646301      51.97941 
1 1 1 -17 3  11 o 131.9242 20.94641 1559.870       456.1141 1559.870       456.1141 0.000000       0.000000 131.9242 20.94641 ?        ?        0.000000       20.94641 
1 1 1 -17 3  12 f 173.7477 14.28133 2628.569       419.9799 3110.093       604.7405 2179.968       583.7007 187.7325 19.13107 155.7704 22.60344 31.96213       29.61273 
1 1 1 -17 3  13 o 157.1835 14.12669 2155.648       375.1339 2570.441       543.4753 1778.178       518.4479 170.3800 19.00298 140.2989 22.39247 30.08110       29.36896 
1 1 1 -17 3  14 o 222.3848 18.14521 4356.237       683.0728 4017.765       970.4170 4688.631       961.6641 209.2562 27.84826 227.6633 25.15621 -18.40710      37.52813 
1 1 1 -17 3  15 o 322.3352 9.517251 8940.558       523.8671 9222.799       1721.288 8911.745       549.9562 313.3564 32.64652 321.6826 10.01149 -8.326233      34.14711 
1 1 1 -17 3  16 o 215.5863 8.648109 3997.324       318.3789 4741.298       946.1572 3902.327       338.0950 227.8700 24.71099 212.8887 9.300029 14.98132       26.40310 
1 1 1 -17 3  17 o 252.6145 8.628720 5493.439       372.2259 5269.654       1068.297 5524.361       397.1108 238.0770 26.73922 253.1872 9.184765 -15.11018      28.27270 
1 1 1 -17 3  18 o 117.4292 8.310936 1193.340       165.5822 1470.819       290.7833 1060.192       201.4293 129.1683 13.37680 110.1143 10.85329 19.05403       17.22593 
1 1 1 -17 3  19 o 146.7608 7.672838 1858.966       191.6271 1508.052       447.2856 1937.854       212.0758 127.5617 21.28341 149.7093 8.328402 -22.14757      22.85489 
1 1 1 -17 3  20 o 160.4381 6.696493 2212.815       183.4666 2221.438       293.9904 2207.316       234.7984 159.5225 10.85676 159.6526 8.644465 -0.1300812     13.87790 
1 1 1 -17 3  21 o 37.18850 11.76770 119.4732       83.73397 145.0482       118.2897 93.78716       118.5462 41.68746 14.03763 37.08184 13.88066 4.605621       19.74152 
1 1 1 -17 3  22 o 160.8635 6.174886 2225.428       169.6244 2040.391       251.0295 2380.903       230.1043 152.9509 9.660689 165.9543 8.119590 -13.00342      12.61969 
1 1 1 -17 3  23 o 203.6446 7.017484 3577.193       244.0373 3307.400       537.0593 3647.393       273.9529 190.7914 16.65082 205.3845 7.810994 -14.59314      18.39189 
1 1 1 -17 3  24 o 36.09528 12.08494 109.2320       87.66449 121.5883       116.6097 93.17191       132.9423 39.19144 13.90100 38.03288 14.59284 1.158562       20.15413 
1 1 1 -17 3  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3  26 o 40.70423 14.16331 136.4402       120.6535 70.74447       242.5573 158.0395       139.0806 45.08302 18.84456 43.60578 15.20455 1.477245       24.21355 
1 1 1 -17 3  27 o 193.3371 6.670099 3230.990       220.2162 2832.958       302.9332 3677.051       320.6904 179.4625 9.923422 205.1484 9.154107 -25.68590      13.50081 
1 1 1 -17 3  28 o 102.5137 8.031697 921.6468       139.4773 920.5800       197.6891 922.7042       196.8150 101.0052 11.67662 101.1574 11.60345 -0.1521378     16.46158 
1 1 1 -17 3  29 f 41.04952 14.17034 147.3082       120.6580 -13.55194      156.3942 383.8411       189.6453 32.89915 14.45075 62.18276 17.25283 -29.28361      22.50521 
1 1 1 -17 3  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3  31 o 25.78242 12.10027 -110.2394      135.0482 -110.2394      135.0482 0.000000       0.000000 25.78242 12.10027 ?        ?        0.000000       12.10027 
1 1 1 -17 3  32 o 84.55170 8.045098 645.1208       114.7594 679.8780       132.8831 543.1329       227.6261 86.14037 9.174808 69.65972 18.72989 16.48065       20.85631 
1 1 1 -17 3  33 o 79.26397 7.829585 570.3870       104.5930 518.5271       125.0201 691.3444       190.9328 74.09424 10.14747 82.37212 14.07950 -8.277878      17.35522 
1 1 1 -17 3  34 o 33.58010 11.68697 107.4846       82.15354 177.8353       106.3341 3.307536       129.3970 41.26544 13.28269 29.11838 12.95030 12.14706       18.55101 
1 1 1 -17 3  35 o 65.48650 8.531060 406.3438       93.13662 444.5296       124.7391 358.2361       140.0097 66.07491 11.47123 56.35212 14.47349 9.722790       18.46811 
1 1 1 -17 3  36 o 30.75146 11.89339 86.07723       88.81966 89.91825       109.6737 78.75692       151.4063 32.05035 12.95158 33.32343 14.43309 -1.273071      19.39220 
1 1 1 -17 3  37 o 43.37029 13.15833 220.0374       105.9621 160.5034       116.6605 500.6970       253.2976 37.11583 13.79408 53.01370 20.18983 -15.89787      24.45211 
1 1 1 -17 4  1  o 182.5467 4.886115 2850.307       152.3139 2960.173       216.2574 2742.158       214.5614 185.8758 6.813123 178.8807 7.024024 6.995071       9.785478 
1 1 1 -17 4  2  o 135.6198 5.142464 1573.304       119.0958 1672.234       164.8675 1465.344       172.2272 139.7159 6.910145 130.5035 7.763220 9.212433       10.39316 
1 1 1 -17 4  3  f 186.7766 6.266279 2986.274       199.8638 3040.548       220.0707 2730.781       477.4814 188.4202 6.839634 176.6790 15.99951 11.74120       17.40014 
1 1 1 -17 4  4  o 251.6268 6.877429 5422.158       295.5186 5521.813       322.9989 4910.123       732.1492 253.8634 7.450735 236.6850 18.25554 17.17831       19.71746 
1 1 1 -17 4  5  o 131.5333 6.104941 1480.563       137.1258 1472.383       153.5296 1512.825       304.8946 130.9491 6.889981 131.6609 13.76446 -0.7118378     15.39260 
1 1 1 -17 4  6  o 36.32986 10.05791 116.7581       64.52599 147.2377       79.41734 57.55393       110.6846 40.72621 11.11080 33.67747 13.20633 7.048737       17.25853 
1 1 1 -17 4  7  o 255.5785 15.37609 5675.445       667.9535 5002.269       1154.177 6014.450       819.0510 234.5001 29.47335 262.1616 18.41207 -27.66150      34.75173 
1 1 1 -17 4  8  o 181.3408 15.83193 2870.862       485.3493 2770.238       686.9350 2971.167       685.8415 175.8360 23.46276 182.5354 22.47755 -6.699371      32.49218 
1 1 1 -17 4  9  o 126.2566 6.621412 1368.485       142.2624 1448.976       156.2651 978.7874       343.8376 129.8779 7.072358 104.1292 20.06421 25.74878       21.27418 
1 1 1 -17 4  10 o 270.6784 7.386605 6277.733       341.4290 6411.684       360.3308 5100.526       1068.209 273.5074 7.714902 237.6921 26.78405 35.81526       27.87301 
1 1 1 -17 4  11 o 238.5538 18.66533 5001.911       754.3063 0.000000       0.000000 5001.911       754.3063 ?        ?        238.5538 18.66533 0.000000       18.66533 
1 1 1 -17 4  12 o 417.8671 28.24116 15829.64       2003.391 16695.55       2835.542 14966.56       2830.910 417.0251 40.32047 391.7906 43.02079 25.23453       58.96209 
1 1 1 -17 4  13 o 119.3818 9.513342 1233.114       192.3327 1410.635       407.0923 1182.102       218.2238 125.2780 19.67758 116.5906 11.09444 8.687485       22.58968 
1 1 1 -17 4  14 f 175.0431 8.198675 2631.353       245.0703 2615.447       623.1151 2634.263       266.5515 170.2910 21.93780 174.8177 8.958911 -4.526733      23.69660 
1 1 1 -17 4  15 o 345.7165 9.644751 10296.45       569.3942 10139.61       1855.453 10312.75       598.2606 325.9322 33.82933 345.8316 10.13033 -19.89941      35.31356 
1 1 1 -17 4  16 o 247.5937 8.574286 5275.683       362.5263 5405.793       1093.027 5259.601       384.2784 241.1793 27.00261 247.0916 9.107226 -5.912292      28.49706 
1 1 1 -17 4  17 o 216.8499 9.215044 4056.252       341.2389 5413.070       969.4399 3864.366       364.5709 242.7752 23.68546 211.4433 10.09686 31.33199       25.74777 
1 1 1 -17 4  18 o 235.9705 7.063191 4786.003       284.6168 3245.982       834.0872 4988.953       302.7905 184.6341 27.27556 240.8528 7.361879 -56.21870      28.25161 
1 1 1 -17 4  19 o 58.35888 10.04915 303.1093       96.53351 265.3067       146.6800 331.9928       128.2138 54.05927 15.23519 60.54451 12.80125 -6.485233      19.89932 
1 1 1 -17 4  20 o 221.2832 7.041732 4214.799       266.0909 4137.626       505.2755 4244.415       313.0121 216.4219 13.74305 221.7222 8.267040 -5.300369      16.03794 
1 1 1 -17 4  21 f 126.3587 7.341096 1381.013       157.7219 1501.505       301.8209 1335.748       184.9898 129.7333 13.83724 123.9158 8.799376 5.817459       16.39812 
1 1 1 -17 4  22 o 150.4597 5.665296 1945.191       145.5609 1701.100       216.5296 2146.451       196.6165 139.7194 9.125372 157.7235 7.299981 -18.00410      11.68598 
1 1 1 -17 4  23 o 31.82361 10.66056 83.83727       68.21772 75.84465       86.64011 96.87505       110.6564 32.47795 11.92037 36.55250 13.46315 -4.074554      17.98198 
1 1 1 -17 4  24 o 97.54012 16.17239 880.1324       259.9395 1006.643       343.8953 711.5151       397.0215 102.3358 20.39465 83.96115 25.46951 18.37465       32.62879 
1 1 1 -17 4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4  26 o 47.50502 12.04592 207.5387       97.85940 190.7663       177.4645 214.8672       117.3064 47.99234 17.13532 48.29161 13.62979 -0.2992706     21.89499 
1 1 1 -17 4  27 o 142.9794 5.499712 1760.829       134.2812 1741.302       188.1641 1781.094       191.6897 141.3508 7.825863 142.9397 7.883631 -1.588928      11.10837 
1 1 1 -17 4  28 o 63.87550 12.02715 376.5794       126.3759 311.6652       158.0834 491.5235       210.3583 56.97703 15.73046 70.81403 17.49709 -13.83701      23.52861 
1 1 1 -17 4  29 o 77.12965 8.260325 529.1750       107.1059 518.9055       149.3557 540.0475       153.6779 74.71730 12.12106 76.20447 12.22257 -1.487167      17.21370 
1 1 1 -17 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4  31 o 62.99226 11.48290 377.0078       118.9699 445.0394       139.1835 192.4799       229.2257 68.00247 12.44423 47.11166 18.83419 20.89082       22.57400 
1 1 1 -17 4  32 o 86.27532 7.793848 670.9749       113.5863 453.2236       139.7346 1095.103       195.0168 68.00979 12.49215 108.0137 10.71419 -40.00389      16.45745 
1 1 1 -17 4  33 o 20.91849 9.709449 -55.26484      83.11234 -103.1726      108.4230 12.99818       129.4229 22.26349 10.56683 30.05648 13.17529 -7.792992      16.88923 
1 1 1 -17 4  34 o 33.62769 12.26174 106.6033       91.45885 47.40993       126.8453 170.6985       131.9929 31.18677 13.35552 40.25907 14.72269 -9.072304      19.87782 
1 1 1 -17 4  35 o 31.59657 11.60698 94.43732       82.16991 152.2870       106.2197 8.227055       129.6683 37.79737 13.28138 28.71649 12.85373 9.080889       18.48279 
1 1 1 -17 4  36 o 27.19465 11.09065 53.29810       81.28117 63.77779       106.5238 38.69358       125.7523 29.76305 12.46842 29.46586 12.94999 0.2971878      17.97676 
1 1 1 -17 5  1  o 95.36319 5.176404 780.5390       83.98096 800.6407       109.9159 752.3461       130.1707 96.41845 6.717695 93.23885 8.261037 3.179596       10.64764 
1 1 1 -17 5  2  o 271.5789 5.879132 6314.845       272.6536 6328.966       377.8414 6299.503       393.8365 271.5380 8.148487 270.8394 8.515344 0.6986389      11.78596 
1 1 1 -17 5  3  o 81.80371 5.747174 575.5964       79.77448 606.0598       106.7028 536.9891       120.1219 83.73543 7.543133 78.53905 9.126590 5.196381       11.84033 
1 1 1 -17 5  4  o 131.0629 5.986591 1470.460       133.9866 1468.672       148.1947 1478.467       313.5896 130.7753 6.657998 129.8654 14.38201 0.9098969      15.84838 
1 1 1 -17 5  5  o 171.6348 5.923470 2521.425       173.6135 2579.112       191.5412 2255.816       411.0040 173.5467 6.463142 160.5771 15.16824 12.96959       16.48780 
1 1 1 -17 5  6  f 269.8755 6.532488 6236.951       301.0538 6483.411       329.0329 4969.879       746.0480 275.0959 7.004116 237.8033 18.51760 37.29263       19.79796 
1 1 1 -17 5  7  o 282.9695 7.068755 6860.239       341.5737 7000.416       358.0455 5441.047       1139.255 285.8082 7.336040 244.7359 27.75025 41.07227       28.70355 
1 1 1 -17 5  8  o 160.8209 14.88691 2260.467       404.1982 2019.860       569.0598 2505.458       574.2203 149.5360 23.02357 167.7448 20.47065 -18.20882      30.80799 
1 1 1 -17 5  9  o 234.4213 18.64389 4836.091       740.1714 0.000000       0.000000 4836.091       740.1714 ?        ?        234.4213 18.64389 0.000000       18.64389 
1 1 1 -17 5  10 o 423.3052 12.83407 15486.09       927.7264 15158.87       967.2754 19243.94       3277.914 418.5268 13.53396 442.9195 43.91713 -24.39273      45.95522 
1 1 1 -17 5  11 f 67.55377 9.854504 400.6591       110.3340 401.7581       146.7006 399.2277       167.4148 66.99832 13.29155 66.50737 15.08735 0.4909515      20.10705 
1 1 1 -17 5  12 o 99.27479 7.250336 849.6401       122.0633 969.8630       167.7641 714.4035       177.9314 105.7824 9.384615 90.20021 11.83743 15.58224       15.10615 
1 1 1 -17 5  13 o 55.69980 13.66819 279.9255       129.0345 338.3831       249.8133 258.6540       150.6932 62.60045 20.37744 53.83993 15.53157 8.760517       25.62166 
1 1 1 -17 5  14 o 295.5076 9.991010 7529.953       504.1734 9381.205       1610.214 7328.734       530.8670 316.4359 30.16378 291.3314 10.67079 25.10452       31.99562 
1 1 1 -17 5  15 o 126.6764 8.247083 1386.050       177.4288 1100.855       373.5263 1469.150       201.6281 109.4074 20.75205 130.2711 9.121153 -20.86375      22.66811 
1 1 1 -17 5  16 o 50.73713 11.72036 232.1748       99.50216 106.0742       189.0589 280.4859       117.0204 43.93896 17.25051 55.71177 12.59585 -11.77281      21.35968 
1 1 1 -17 5  17 o 113.4072 8.698697 1115.423       167.1761 967.4288       372.3773 1152.780       187.0898 101.4796 22.11325 115.1090 9.605601 -13.62938      24.10940 
1 1 1 -17 5  18 o 249.3977 7.349121 5352.188       312.9894 4078.454       933.9770 5513.326       332.1980 206.6654 27.11932 253.0317 7.688120 -46.36636      28.18802 
1 1 1 -17 5  19 o 68.10271 9.944979 410.2558       112.2465 377.9923       166.5894 437.0823       151.9059 64.10650 15.40833 69.50165 13.28329 -5.395149      20.34361 
1 1 1 -17 5  20 o 146.3484 7.174961 1845.257       179.3120 1929.114       300.9503 1799.103       223.2697 147.9982 12.01156 143.8300 9.137722 4.168259       15.09223 
1 1 1 -17 5  21 o 38.67417 10.65438 134.5641       72.61128 108.9089       88.40008 187.7722       127.3075 36.18986 12.13544 46.08077 14.50173 -9.890907      18.90950 
1 1 1 -17 5  22 o 30.98716 10.87687 74.91123       71.23136 87.31300       92.13880 56.48857       112.2993 34.14073 12.32879 33.33658 13.22895 0.8041534      18.08326 
1 1 1 -17 5  23 o 33.93739 12.38340 84.67458       93.30640 62.28365       98.50380 280.2155       291.0956 32.34391 12.52059 58.72969 21.79695 -26.38577      25.13707 
1 1 1 -17 5  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 5  25 o 64.35968 9.676917 369.3223       103.0622 327.1231       175.3524 391.5929       127.3871 58.99021 16.66939 65.69424 11.78841 -6.704029      20.41654 
1 1 1 -17 5  26 o 123.5088 6.385709 1320.401       134.2212 1516.861       221.7405 1206.793       168.6214 131.1641 9.974587 117.4530 8.463832 13.71104       13.08162 
1 1 1 -17 5  27 o 22.06496 10.09535 -53.52800      85.37903 122.2149       151.7717 -134.8926      103.2689 41.18686 15.64201 21.12785 10.10708 20.05902       18.62325 
1 1 1 -17 5  28 o 107.7176 6.126081 1008.714       112.2207 1213.353       153.9363 776.6016       163.9442 117.5806 7.709283 92.81458 10.53011 24.76605       13.05053 
1 1 1 -17 5  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 5  30 o 101.7110 7.792687 920.0615       134.3201 813.8148       169.2635 1100.760       220.7407 93.96134 10.74207 108.3800 12.13526 -14.41865      16.20669 
1 1 1 -17 5  31 o 22.03255 10.46685 -111.6471      106.8591 -79.27624      123.4671 -208.2778      213.3201 25.46393 11.82438 30.23918 14.48168 -4.775251      18.69586 
1 1 1 -17 5  32 f 83.56604 7.487891 628.8530       105.7209 539.7324       124.3514 861.2394       200.8016 75.98985 9.812012 93.51824 12.91883 -17.52840      16.22257 
1 1 1 -17 5  33 o 28.93306 11.95053 46.46876       95.89860 115.9709       118.4879 -85.51553      163.2812 35.96909 13.78245 28.59951 13.38487 7.369576       19.21225 
1 1 1 -17 5  34 o 58.67582 14.37393 381.3545       142.8879 381.3545       142.8879 0.000000       0.000000 58.67582 14.37393 ?        ?        0.000000       14.37393 
1 1 1 -17 5  35 o 34.96547 12.04849 126.0234       87.21005 147.9148       103.6897 73.09955       161.2224 37.22902 13.11864 33.85741 14.77665 3.371601       19.75976 
1 1 1 -17 5  36 o 20.07107 9.667931 -104.0716      98.26374 -116.1202      111.1217 -60.85982      210.4425 21.15435 10.21275 30.50551 14.54727 -9.351158      17.77423 
1 1 1 -17 6  1  o 149.5167 5.167065 1913.762       131.9276 1831.372       176.7516 2017.401       198.2393 146.0950 7.084779 153.2820 7.573500 -7.187073      10.37073 
1 1 1 -17 6  2  o 95.57491 5.146647 784.1160       83.68871 817.8958       110.3112 738.3080       128.4581 97.44584 6.669194 92.33853 8.232966 5.107307       10.59528 
1 1 1 -17 6  3  o 200.6083 4.975982 3443.700       170.4628 3390.010       241.5269 3496.986       240.6173 198.8103 7.114177 201.9400 6.977542 -3.129700      9.964819 
1 1 1 -17 6  4  o 145.5991 4.753296 1813.549       118.1831 1846.632       163.2212 1777.090       171.3472 146.7970 6.511148 143.9683 6.969602 2.828613       9.537840 
1 1 1 -17 6  5  o 119.0532 4.975392 1212.691       101.1510 1228.101       137.6929 1194.625       149.0834 119.5124 6.774644 117.7802 7.450733 1.732208       10.07022 
1 1 1 -17 6  6  o 194.7124 6.737042 3249.189       224.0087 3236.522       235.3009 3371.739       731.8875 194.2935 7.091916 193.5742 22.56433 0.7193146      23.65257 
1 1 1 -17 6  7  f 56.64590 10.08558 284.3626       93.98372 274.9758       105.2589 321.2703       208.7176 55.44921 11.49379 60.36242 18.49887 -4.913212      21.77879 
1 1 1 -17 6  8  o 196.7257 17.16839 3408.623       570.9770 3233.584       822.1172 3571.731       793.6042 187.7779 26.36466 198.6829 23.86828 -10.90503      35.56389 
1 1 1 -17 6  9  o 234.6080 14.36248 4798.764       572.6350 5382.048       1003.275 4516.932       697.3887 243.9388 24.41221 226.1716 18.21086 17.76717       30.45639 
1 1 1 -17 6  10 f 395.2637 9.980166 13457.23       673.6381 13490.77       730.7908 13267.60       1737.607 395.4525 10.82173 381.4558 26.84624 13.99677       28.94530 
1 1 1 -17 6  11 o 207.0234 5.667684 3670.329       200.3674 4228.933       272.6611 3014.531       295.4312 222.0182 7.191719 187.1574 9.243734 34.86082       11.71185 
1 1 1 -17 6  12 o 162.9597 5.640581 2274.558       156.9662 2445.616       203.7282 2024.681       246.2301 168.8257 7.066604 153.0274 9.469104 15.79822       11.81528 
1 1 1 -17 6  13 o 364.7500 6.956781 11418.09       433.3169 10202.21       618.9019 12587.20       606.8803 343.6417 10.54664 382.1993 9.298464 -38.55762      14.06033 
1 1 1 -17 6  14 o 56.07165 11.16852 281.5933       103.1834 243.7176       154.2873 312.2410       138.7871 52.42376 15.87172 58.66721 14.04056 -6.243443      21.19077 
1 1 1 -17 6  15 o 151.3633 8.022375 1977.284       206.6200 1793.901       501.5636 2014.765       226.7546 139.5283 21.76041 152.6453 8.735301 -13.11699      23.44827 
1 1 1 -17 6  16 o 48.79920 12.49058 215.4021       104.5258 98.78372       197.0066 261.0929       123.3138 44.03225 17.50644 53.62092 13.48139 -9.588673      22.09577 
1 1 1 -17 6  17 o 198.2145 8.021506 3385.883       271.5146 3642.003       821.1638 3354.445       287.6961 196.6715 25.01661 197.1695 8.544611 -0.4980164     26.43560 
1 1 1 -17 6  18 o 254.6977 7.535780 5589.026       327.7594 5249.725       775.8759 5662.728       361.6090 240.4791 19.04940 256.1378 8.267300 -15.65862      20.76603 
1 1 1 -17 6  19 f 88.90947 8.423957 689.1409       126.3729 777.8460       216.6205 643.3758       155.5939 92.91807 14.09436 85.27081 10.93751 7.647255       17.84041 
1 1 1 -17 6  20 o 192.7270 7.100577 3201.823       233.6889 2924.739       507.0132 3276.565       263.3277 179.7219 16.71168 194.7385 7.918496 -15.01666      18.49278 
1 1 1 -17 6  21 o 108.6339 7.019954 1021.903       129.5306 1110.813       219.2621 974.2396       160.5388 111.9663 11.63768 105.5853 8.989355 6.381042       14.70524 
1 1 1 -17 6  22 o 75.13877 7.727437 493.3387       97.73882 517.6276       141.4127 471.1238       135.2408 76.06539 11.22402 72.48257 11.29428 3.582825       15.92292 
1 1 1 -17 6  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 6  25 o 158.2309 6.612379 2162.602       178.6698 2875.248       351.2078 1913.765       207.5320 180.0489 11.48264 148.1653 8.234805 31.88365       14.13021 
1 1 1 -17 6  26 o 45.66462 14.03926 190.1633       120.1052 -11.64069      243.6683 254.9272       138.0387 41.24574 18.07918 52.19220 14.80437 -10.94647      23.36720 
1 1 1 -17 6  27 o 101.1990 7.935051 899.5717       136.0296 917.9812       180.6471 875.4622       206.7302 101.1457 10.61718 97.76627 12.68136 3.379448       16.53909 
1 1 1 -17 6  28 o 56.23514 11.15131 294.0292       103.3041 318.7576       143.0860 267.1062       149.3003 57.28780 14.58736 52.36938 15.55891 4.918423       21.32770 
1 1 1 -17 6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 6  30 o 43.67085 12.10488 184.3938       93.40363 158.7297       131.1823 210.7828       133.0222 41.48234 14.74078 46.18194 14.85541 -4.699596      20.92782 
1 1 1 -17 6  31 o 64.47973 9.994111 389.4370       106.4835 315.0957       129.5675 544.1323       186.9043 55.80570 13.69774 72.32190 15.59272 -16.51620      20.75479 
1 1 1 -17 6  32 o 24.34481 10.86958 -17.11706      92.10569 1.114857       127.6236 -36.93554      133.0607 29.31488 12.95772 27.96547 12.72058 1.349407       18.15807 
1 1 1 -17 6  33 o 36.94289 12.13427 137.3187       88.50768 77.30569       115.6276 222.2368       137.5431 32.50902 13.23956 44.83395 15.13680 -12.32493      20.10992 
1 1 1 -17 6  34 o 42.57746 11.90364 190.9805       89.91805 251.7097       118.1641 107.4398       138.5913 47.52543 13.76604 35.09749 14.41700 12.42794       19.93373 
1 1 1 -17 6  35 o 56.11495 13.71490 356.0799       130.3134 356.0799       130.3134 0.000000       0.000000 56.11495 13.71490 ?        ?        0.000000       13.71490 
1 1 1 -17 6  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 7  1  o 171.4097 5.032180 2515.674       147.2968 2417.700       206.8547 2616.453       209.7947 167.7915 7.219274 174.5770 7.037294 -6.785492      10.08174 
1 1 1 -17 7  2  o 192.1569 4.928823 3160.899       161.7339 3088.308       226.0178 3237.076       231.5346 189.6911 6.977405 194.2056 6.981557 -4.514496      9.870478 
1 1 1 -17 7  3  o 129.6121 4.994076 1438.104       110.5357 1409.173       144.2479 1479.259       172.0414 128.0071 6.621589 130.9936 7.725159 -2.986465      10.17465 
1 1 1 -17 7  4  o 158.0511 4.797425 2137.881       129.4815 1952.914       178.1433 2345.038       188.5264 150.8694 6.914592 165.3506 6.676743 -14.48119      9.611997 
1 1 1 -17 7  5  o 73.60690 6.082389 467.4475       75.76808 482.8411       96.95621 443.3005       121.4336 74.58570 7.724301 70.96172 10.32373 3.623985       12.89357 
1 1 1 -17 7  6  o 35.46413 9.226177 112.2933       56.40667 76.95413       71.72808 169.5665       91.31389 31.47089 10.92212 43.56770 11.92556 -12.09680      16.17132 
1 1 1 -17 7  7  o 58.55514 8.463513 300.7969       82.17299 218.4523       93.69535 575.1844       171.0341 49.30212 11.36214 80.46378 12.88203 -31.16166      17.17687 
1 1 1 -17 7  8  o 41.16910 9.658770 151.8803       66.73326 184.0222       83.31175 94.33777       111.4719 45.26300 10.90716 36.76781 13.51715 8.495186       17.36892 
1 1 1 -17 7  9  o 316.8159 9.565180 8650.455       517.4901 9533.875       1788.177 8569.706       540.6236 315.0916 33.75874 315.1834 10.04453 -0.9182739E-01 35.22137 
1 1 1 -17 7  10 o 181.2603 7.725686 2823.036       239.1341 3314.244       699.9636 2758.128       254.4436 191.2012 21.82921 179.0743 8.320631 12.12691       23.36124 
1 1 1 -17 7  11 o 99.34271 6.009237 849.0762       101.4632 855.9116       136.5214 840.6421       151.6493 99.43636 8.110607 98.35987 9.132838 1.076492       12.21436 
1 1 1 -17 7  12 o 97.57004 6.609091 820.6792       109.4690 969.4673       154.7265 671.5594       154.8987 105.7525 8.643410 87.50463 10.58103 18.24786       13.66260 
1 1 1 -17 7  13 o 226.0968 5.799853 4382.876       223.9306 4511.316       315.1055 4251.827       318.2899 228.9458 8.059748 222.1903 8.388723 6.755493       11.63315 
1 1 1 -17 7  14 o 151.5765 5.650333 1969.902       146.2540 2024.047       207.7830 1916.735       205.8988 153.1279 7.973661 148.9712 8.124430 4.156708       11.38357 
1 1 1 -17 7  15 o 153.8495 6.093915 2031.457       160.1012 2407.661       227.5257 1662.496       225.3248 167.1848 7.969513 138.3331 9.597896 28.85172       12.47528 
1 1 1 -17 7  16 o 205.6491 5.689946 3628.497       199.8191 3502.373       290.2056 3742.194       275.5383 201.4619 8.435502 208.4185 7.741830 -6.956635      11.44961 
1 1 1 -17 7  17 o 245.2457 7.289094 5180.118       305.2649 4559.973       684.7996 5333.909       341.0223 224.6011 18.00597 248.6298 8.032075 -24.02867      19.71622 
1 1 1 -17 7  18 o 182.5130 6.831047 2867.452       212.9036 2491.125       460.0280 2970.028       240.1729 166.2355 16.41996 185.5751 7.578834 -19.33963      18.08463 
1 1 1 -17 7  19 f 83.27913 7.943724 604.4843       111.6000 495.1095       187.9323 664.0634       138.7042 73.24037 15.50907 86.96041 9.494706 -13.72004      18.18463 
1 1 1 -17 7  20 o 187.2602 7.350100 3027.067       235.0394 3311.956       541.8130 2961.028       260.8626 190.9296 16.78846 184.9416 8.259912 5.987976       18.71039 
1 1 1 -17 7  21 o 103.9147 10.46988 952.8605       183.2581 957.0391       203.8432 935.2497       418.4757 103.7291 11.71299 96.42274 25.15186 7.306320       27.74545 
1 1 1 -17 7  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 7  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 7  24 o 64.75710 9.826379 374.6786       105.2510 204.6743       180.5034 462.2575       129.5553 49.16303 17.31032 71.73299 10.92105 -22.56997      20.46745 
1 1 1 -17 7  25 o 107.5775 6.422452 1003.180       117.4459 1153.734       179.9369 891.4333       155.0213 114.4964 9.282850 100.6083 9.122285 13.88803       13.01489 
1 1 1 -17 7  26 o 147.0820 6.023666 1870.223       151.2942 1813.599       205.5529 1937.163       223.4964 143.7708 8.409049 148.3856 8.860627 -4.614761      12.21568 
1 1 1 -17 7  27 o 83.36744 10.65637 630.8716       148.2365 858.5474       329.8562 573.2545       165.9366 90.10241 21.69736 78.39301 12.84013 11.70940       25.21199 
1 1 1 -17 7  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 7  29 o 74.55949 8.405453 500.5599       105.1528 461.9245       146.4998 541.6165       151.0204 69.30923 12.85102 75.62984 12.10139 -6.320610      17.65198 
1 1 1 -17 7  30 o 67.59407 8.438560 415.7115       95.28256 619.4333       130.1555 180.4513       139.8679 82.08994 9.457712 43.20267 15.23495 38.88726       17.93187 
1 1 1 -17 7  31 o 111.4681 6.390237 1101.246       121.1305 1038.727       159.9690 1185.268       185.4504 106.4596 8.880361 113.0292 9.702098 -6.569527      13.15262 
1 1 1 -17 7  32 o 75.59995 8.071942 525.7548       102.5971 548.7612       137.9596 497.2867       153.4639 74.98507 11.11013 69.39234 13.43619 5.592728       17.43463 
1 1 1 -17 7  33 f 97.99258 6.909029 872.6753       114.8740 923.3881       143.6030 782.5558       191.4317 99.24770 8.556699 86.03828 13.47132 13.20942       15.95912 
1 1 1 -17 7  34 o 35.66320 12.11196 132.0969       88.06928 222.7143       115.6063 6.781272       135.9497 44.43025 13.79275 29.05411 13.07095 15.37614       19.00237 
1 1 1 -17 7  35 f 20.42610 9.326563 -23.56105      72.39422 -17.32921      87.46897 -37.11372      128.9907 22.71317 10.32456 25.91283 12.05049 -3.199663      15.86855 
1 1 1 -17 8  1  o 137.0451 5.076445 1608.828       118.8024 1677.245       165.1445 1535.445       171.0340 139.7343 6.920847 133.4145 7.538044 6.319763       10.23329 
1 1 1 -17 8  2  o 167.2855 4.919178 2396.412       140.5247 2189.322       192.2079 2634.215       205.9688 159.6479 7.050273 175.1434 6.886613 -15.49550      9.855546 
1 1 1 -17 8  3  o 34.11085 9.255576 103.6481       55.28659 125.0932       65.35313 49.67247       103.6814 37.41425 10.02585 32.10662 12.72059 5.307629       16.19664 
1 1 1 -17 8  4  o 202.5539 5.246990 3514.367       181.4900 3428.692       260.6011 3595.056       252.9032 199.7112 7.641382 204.5699 7.239533 -4.858688      10.52623 
1 1 1 -17 8  5  f 169.0536 4.744631 2446.525       136.9711 2508.985       178.7458 2357.676       213.1861 171.0508 6.119402 165.6283 7.537415 5.422470       9.708743 
1 1 1 -17 8  6  o 199.6648 4.863455 3413.182       165.8244 3473.604       231.6490 3349.678       237.4820 201.1718 6.743128 197.5040 7.041299 3.667770       9.749342 
1 1 1 -17 8  7  o 164.6873 4.710633 2321.720       132.4773 2568.051       196.4162 2116.139       179.4355 172.9832 6.649231 157.0218 6.691853 15.96141       9.433619 
1 1 1 -17 8  8  o 88.90850 6.265235 681.3630       94.51389 628.2534       113.9530 798.4343       169.1859 85.10367 7.932481 95.52064 10.54803 -10.41697      13.19792 
1 1 1 -17 8  9  o 165.5768 5.356619 2348.897       151.4580 2235.911       190.0069 2545.800       250.8316 161.3635 6.895442 171.9221 8.543753 -10.55852      10.97920 
1 1 1 -17 8  10 o 121.8016 8.253417 1283.069       170.6545 1426.498       418.4832 1254.459       186.9009 124.7418 20.34707 120.2494 9.170937 4.492432       22.31837 
1 1 1 -17 8  11 o 117.1123 8.815512 1189.172       175.0068 1447.561       455.1000 1144.332       189.5847 124.8065 22.16540 114.6685 9.775164 10.13795       24.22516 
1 1 1 -17 8  12 f 195.0990 5.514158 3263.177       183.7114 3225.494       246.6145 3310.161       275.3723 193.6451 7.457793 196.0136 8.226822 -2.368530      11.10402 
1 1 1 -17 8  13 o 77.87239 7.148375 525.7548       93.99771 509.5403       125.6684 546.3475       141.6227 76.11983 9.902237 78.65112 10.83185 -2.531288      14.67594 
1 1 1 -17 8  14 o 160.7163 5.509050 2215.401       151.1954 1973.772       204.3710 2507.542       224.7197 151.1284 7.946923 170.6163 7.712917 -19.48792      11.07442 
1 1 1 -17 8  15 o 163.4782 7.519105 2302.500       209.9075 2130.823       590.1902 2327.361       224.5924 149.9570 23.84585 164.2599 8.006850 -14.30283      25.15421 
1 1 1 -17 8  16 o 103.1178 6.644300 918.3823       116.3770 629.3038       149.1622 1368.103       186.0468 84.43572 10.57710 125.4830 8.736815 -41.04730      13.71885 
1 1 1 -17 8  17 o 160.3059 5.496581 2206.228       150.4680 2167.128       207.9162 2249.225       218.0317 158.4666 7.683316 161.3886 7.911244 -2.922058      11.02820 
1 1 1 -17 8  18 o 93.61721 7.070071 759.6906       112.1932 683.8214       151.2412 852.5291       167.3021 88.04729 10.25082 98.47726 10.09114 -10.42998      14.38438 
1 1 1 -17 8  19 o 35.08579 12.29348 97.33820       90.97472 165.8083       130.7474 33.07697       126.6651 44.09732 14.75877 33.17791 13.72158 10.91941       20.15200 
1 1 1 -17 8  20 o 121.1570 24.35709 1450.355       486.4622 1450.355       486.4622 0.000000       0.000000 121.1570 24.35709 ?        ?        0.000000       24.35709 
1 1 1 -17 8  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 8  22 o 177.0995 6.618975 2705.643       200.1750 3124.875       329.0831 2459.421       252.1980 188.7250 10.24958 167.9647 8.823596 20.76028       13.52441 
1 1 1 -17 8  23 o 163.7481 5.897124 2310.014       164.8991 2245.283       228.9922 2379.735       237.6541 160.5018 8.383948 165.2226 8.451424 -4.720779      11.90450 
1 1 1 -17 8  24 o 83.81523 9.251243 621.1434       130.2046 662.6761       190.9893 585.0789       177.9732 85.00869 13.61619 79.80078 13.54431 5.207909       19.20544 
1 1 1 -17 8  25 o 94.32229 7.956638 780.9988       126.9616 752.8173       179.1135 809.4573       179.9914 91.13828 11.78469 94.74078 11.35135 -3.602509      16.36253 
1 1 1 -17 8  26 o 180.5181 5.561158 2818.312       171.4304 2845.352       225.9319 2781.620       263.1892 180.5358 7.328453 177.7235 8.672039 2.812271       11.35388 
1 1 1 -17 8  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 8  28 o 70.65189 10.15106 459.4576       118.9545 322.5188       158.4824 636.1508       180.0229 56.40624 15.81509 81.34948 13.42751 -24.94324      20.74645 
1 1 1 -17 8  29 o 154.2866 5.349018 2073.314       140.9303 1979.597       183.6908 2207.407       219.7262 149.5748 7.191626 156.9172 8.228595 -7.342377      10.92837 
1 1 1 -17 8  30 o 38.98773 14.30464 139.9132       124.7496 -195.9952      283.0382 220.9003       138.9769 35.18470 16.80414 46.29113 15.20530 -11.10643      22.66231 
1 1 1 -17 8  31 o 130.3766 7.754495 1540.922       171.8668 1333.818       315.1860 1628.559       205.0305 109.5318 17.43542 132.6014 9.109846 -23.06961      19.67189 
1 1 1 -17 8  32 o 157.8824 5.757813 2212.244       155.2363 2403.159       196.4626 1894.935       253.2795 163.0078 7.057805 139.5074 10.71347 23.50038       12.82930 
1 1 1 -17 8  33 o 33.35044 12.14786 108.6573       89.73392 95.23742       117.1394 127.7171       139.6011 33.27154 13.40615 36.43956 14.65186 -3.168018      19.85955 
1 1 1 -17 8  34 o 48.33644 10.88242 242.7572       87.66178 281.3823       111.8274 181.1867       141.1886 50.27134 12.94764 39.43059 15.06005 10.84075       19.86068 
1 1 1 -17 9  1  o 216.1062 5.269926 4003.365       194.4795 3598.832       278.3893 4388.976       271.8001 204.3766 7.976630 225.9240 7.045073 -21.54738      10.64235 
1 1 1 -17 9  2  o 226.1263 5.101781 4381.682       197.0039 4534.593       289.5213 4249.837       268.8383 229.5858 7.384712 222.3277 7.081016 7.258118       10.23107 
1 1 1 -17 9  3  o 106.1743 5.033985 965.8690       91.27113 853.3600       119.2965 1124.691       141.7391 99.38551 7.075350 114.1239 7.311409 -14.73840      10.17434 
1 1 1 -17 9  4  o 95.19407 5.113855 778.7039       82.82594 757.4209       109.5381 807.1178       126.5654 93.63313 6.899284 96.53017 7.743205 -2.897041      10.37099 
1 1 1 -17 9  5  o 174.4816 4.970243 2608.033       148.0912 2564.709       201.0699 2659.399       218.9337 172.7744 6.814996 175.8561 7.290430 -3.081665      9.979707 
1 1 1 -17 9  6  o 198.6743 4.484521 3379.289       152.1457 3459.457       237.1243 3323.189       198.3606 200.6445 6.920650 196.8245 5.901661 3.819916       9.095328 
1 1 1 -17 9  7  o 193.9694 4.628248 3221.731       153.3034 3201.857       236.7581 3236.079       201.1706 192.9794 7.184427 194.2004 6.066139 -1.221085      9.402874 
1 1 1 -17 9  8  o 147.3032 4.609838 1858.033       115.9578 1788.498       167.4510 1922.100       160.7333 144.2761 6.796596 149.6350 6.290291 -5.358902      9.260749 
1 1 1 -17 9  9  o 86.17240 6.294764 640.8712       91.98864 617.7918       116.4818 679.1185       149.9503 84.28137 8.196995 87.99318 10.16636 -3.711807      13.05931 
1 1 1 -17 9  10 o 128.4310 5.487342 1414.440       120.3466 1469.883       147.0373 1301.923       209.4662 130.6327 6.612882 122.1851 10.13045 8.447540       12.09778 
1 1 1 -17 9  11 o 155.5371 7.871329 2089.815       208.3858 1687.320       602.1045 2144.587       222.1125 131.3511 27.71460 157.4685 8.289138 -26.11740      28.92765 
1 1 1 -17 9  12 o 140.7155 8.442945 1715.245       201.9413 1679.201       541.5656 1721.066       217.6378 132.4084 24.86464 140.7923 9.100892 -8.383911      26.47785 
1 1 1 -17 9  13 o 105.8867 8.267508 973.5378       148.3067 1059.651       420.5894 961.3103       158.4866 104.8324 24.01049 105.0727 8.917044 -0.2402573     25.61284 
1 1 1 -17 9  14 o 91.26973 6.376875 719.5729       98.76403 739.3234       128.8079 691.3956       153.8523 92.16253 8.272476 88.61470 10.36279 3.547829       13.25976 
1 1 1 -17 9  15 o 137.2508 5.494579 1617.129       128.7808 1361.241       171.9868 1943.701       194.2939 125.2820 8.082155 149.9149 7.614490 -24.63288      11.10413 
1 1 1 -17 9  16 o 213.7832 5.527024 3924.771       201.7747 3953.876       270.3195 3888.153       303.2094 214.0906 7.393973 211.9978 8.375475 2.092880       11.17226 
1 1 1 -17 9  17 o 98.08115 5.880604 829.9429       98.03933 836.1006       130.2471 821.8932       148.9183 98.05442 7.844228 96.90840 9.105579 1.146019       12.01846 
1 1 1 -17 9  18 o 167.5292 13.14417 2497.023       373.0145 2499.242       454.8988 2492.469       651.7003 165.8617 16.27026 159.7500 24.68519 6.111725       29.56484 
1 1 1 -17 9  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 9  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 9  21 o 61.16655 9.794503 334.3362       98.85328 297.7381       150.6626 362.0014       130.9916 56.51695 15.25560 62.89911 12.63409 -6.382156      19.80791 
1 1 1 -17 9  22 o 144.4848 6.083874 1799.534       150.1082 1748.240       198.4433 1868.138       229.4966 141.6241 8.240982 146.0342 9.250585 -4.410110      12.38899 
1 1 1 -17 9  23 o 85.14439 11.24149 651.2240       159.4521 1230.104       349.6233 499.1966       179.1708 113.3937 18.70800 73.03526 14.87127 40.35840       23.89862 
1 1 1 -17 9  24 f 39.41689 13.91586 128.5943       116.7281 384.3958       175.6523 -73.71350      156.2099 63.15240 16.20676 30.36366 13.80037 32.78874       21.28636 
1 1 1 -17 9  25 o 122.8982 7.030332 1320.362       146.9320 1347.220       196.3010 1286.143       221.5732 123.0261 9.415274 119.3139 10.99870 3.712128       14.47821 
1 1 1 -17 9  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 9  27 o 20.06060 9.745299 -165.8345      105.3114 -395.4200      172.7171 -29.96902      132.8672 22.61259 11.26143 29.12924 13.02683 -6.516653      17.21970 
1 1 1 -17 9  28 o 78.44592 8.249409 555.0355       108.8526 683.0618       158.5504 440.8859       149.7114 85.35094 11.14422 66.88356 13.57177 18.46738       17.56094 
1 1 1 -17 9  29 o 50.67656 11.65562 250.9127       98.76326 319.0649       121.5272 118.3477       169.4913 56.60251 12.86471 39.55510 16.05988 17.04741       20.57718 
1 1 1 -17 9  30 o 105.3569 6.432287 987.6465       115.1715 1028.406       148.4097 925.9355       182.6128 106.1583 8.251488 98.24139 11.07861 7.916931       13.81386 
1 1 1 -17 9  31 o 81.59481 7.382307 607.5032       101.7484 596.9877       129.5131 624.4580       164.4536 79.01363 9.809700 78.11594 12.76957 0.8976898      16.10255 
1 1 1 -17 9  32 o 25.93409 11.22372 18.55700       91.41351 -15.43953      121.7041 62.56459       138.4688 26.98363 12.23192 32.44110 13.92499 -5.457470      18.53443 
1 1 1 -17 9  33 o 63.89367 9.103369 396.1932       96.51710 404.9555       124.5918 383.0438       152.6276 61.77179 12.24398 56.52450 15.39553 5.247284       19.67072 
1 1 1 -17 9  34 o 27.54170 12.76566 -22.23481      142.9311 45.93602       279.9642 -46.26701      166.2264 35.79947 16.98804 28.29623 13.32545 7.503237       21.59076 
1 1 1 -17 10 1  f 121.6531 4.596352 1267.858       95.48572 1217.836       136.2653 1316.116       133.8417 118.8136 6.743899 123.5972 6.362924 -4.783661      9.271838 
1 1 1 -17 10 2  o 65.36491 5.444515 369.0002       60.21961 322.9738       77.21428 440.4624       96.21268 60.76758 7.607591 71.01823 8.077109 -10.25065      11.09573 
1 1 1 -17 10 3  o 193.6142 4.700351 3211.634       155.4066 3069.065       219.2287 3355.641       220.3316 188.9180 6.795512 197.5950 6.529785 -8.677032      9.424280 
1 1 1 -17 10 4  o 40.33064 9.497786 146.3665       64.33188 122.5171       85.21713 177.9679       98.09379 37.66365 11.86650 44.48132 12.43202 -6.817669      17.18630 
1 1 1 -17 10 5  o 195.6512 4.520681 3278.719       151.0388 3254.394       239.5313 3294.774       194.6023 194.4523 7.213521 195.9280 5.816336 -1.475784      9.266318 
1 1 1 -17 10 6  o 231.9451 4.856241 4610.232       192.3479 4725.264       306.6321 4535.601       246.9848 234.1868 7.667493 229.7764 6.294523 4.410370       9.920256 
1 1 1 -17 10 7  o 212.2775 4.753251 3861.030       172.3045 3553.497       266.9335 4080.694       225.5993 203.0722 7.697518 217.9940 6.060262 -14.92178      9.796865 
1 1 1 -17 10 8  o 208.6583 4.909147 3731.549       174.9217 3619.925       264.2811 3818.572       233.3495 204.9852 7.549911 210.7810 6.482964 -5.795807      9.951380 
1 1 1 -17 10 9  o 131.2921 4.996723 1477.709       112.0278 1499.905       158.4526 1455.525       158.4097 131.8272 7.064400 129.8349 7.172592 1.992340       10.06736 
1 1 1 -17 10 10 o 89.87666 6.726447 698.6642       102.4882 728.7485       124.0864 634.0903       181.7957 91.56104 8.016956 84.08602 13.08630 7.475014       15.34675 
1 1 1 -17 10 11 o 108.0983 5.952971 1006.706       109.4655 825.6824       137.5642 1319.209       180.7445 97.41863 8.349859 123.2305 8.643750 -25.81188      12.01809 
1 1 1 -17 10 12 o 100.3994 8.709855 878.3392       147.8493 998.9111       442.2288 863.1663       156.8764 100.6824 25.64923 99.36914 9.355069 1.313248       27.30202 
1 1 1 -17 10 13 o 145.4885 7.359162 1829.656       182.2406 1470.745       587.9139 1867.809       191.6821 120.3349 28.96022 146.9253 7.666395 -26.59044      29.95777 
1 1 1 -17 10 14 o 191.7601 5.008654 3154.633       164.0141 3560.480       222.1611 2668.434       243.1606 203.4188 6.395508 175.6933 8.104687 27.72557       10.32417 
1 1 1 -17 10 15 o 102.4859 5.959558 906.1243       103.8486 848.7810       131.6848 1000.448       168.8905 98.79576 7.870698 106.9363 9.342437 -8.140549      12.21593 
1 1 1 -17 10 16 f 127.4235 12.00539 1439.149       258.1533 1591.750       359.7350 1277.122       370.6787 132.1239 16.28900 116.6954 19.27418 15.42849       25.23540 
1 1 1 -17 10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 10 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 10 19 o 98.26638 6.222696 835.0476       103.8813 852.0357       126.8527 800.4599       181.0038 98.96952 7.563046 94.79944 11.41013 4.170082       13.68908 
1 1 1 -17 10 20 o 195.3461 5.291948 3280.904       176.5314 3256.912       222.9619 3321.212       288.9991 194.2189 6.722598 195.4122 8.660498 -1.193283      10.96346 
1 1 1 -17 10 21 o 65.16970 9.504017 378.4505       102.6558 440.2274       126.9585 261.7858       174.4691 69.93287 10.99389 53.40766 16.99556 16.52521       20.24141 
1 1 1 -17 10 22 o 93.66822 7.666111 767.3380       121.5480 866.7209       162.0184 639.3956       183.8298 98.90408 9.718365 83.42821 13.35370 15.47588       16.51568 
1 1 1 -17 10 23 o 54.97013 11.15996 278.2348       101.1814 449.4046       130.4089 19.34372       160.3807 70.20486 11.25819 35.21077 15.04654 34.99409       18.79216 
1 1 1 -17 10 24 o 56.13165 11.77643 294.4949       109.2804 207.7819       134.4100 463.5946       187.6987 46.98264 14.91380 68.63354 16.26382 -21.65089      22.06656 
1 1 1 -17 10 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 10 26 o 75.74049 7.964108 512.8827       101.4641 553.5898       133.9031 457.9940       155.4880 77.56489 10.36890 68.62611 13.74717 8.938774       17.21914 
1 1 1 -17 10 27 o 58.25317 12.19619 328.4015       117.4329 448.3712       164.5858 203.9888       167.6059 66.61339 14.84785 45.90870 16.62050 20.70469       22.28676 
1 1 1 -17 10 28 o 71.13580 8.865301 464.5386       105.3549 348.8603       153.0515 568.7156       145.2437 57.71378 15.28658 77.19663 11.35731 -19.48286      19.04385 
1 1 1 -17 10 29 o 48.58395 11.24364 232.2659       91.43551 319.1868       114.1965 77.00166       152.6253 56.58204 12.17937 35.57201 14.91440 21.01003       19.25555 
1 1 1 -17 10 30 o 36.42601 11.91730 132.1968       85.40208 179.2541       105.4684 42.58661       145.5417 41.42779 13.21736 32.48126 14.10954 8.946529       19.33333 
1 1 1 -17 10 31 o 66.49678 8.431032 416.7351       93.58738 361.9477       117.2525 512.9081       155.3490 59.18023 12.01264 69.06367 13.65604 -9.883438      18.18766 
1 1 1 -17 10 32 o 50.29284 11.25322 261.9868       94.23110 236.6596       121.7411 299.8386       148.8289 45.39755 14.16402 49.61813 15.68730 -4.220577      21.13553 
1 1 1 -17 10 33 o 96.14800 7.066128 858.9846       115.2047 802.1565       141.5825 970.3350       198.1864 90.28276 9.317340 94.54902 12.58759 -4.266258      15.66079 
1 1 1 -17 11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 2  o 51.30087 16.78846 229.5589       169.4819 -1.195401      448.0356 268.0924       183.0866 56.34863 24.61179 54.81003 17.40688 1.538593       30.14531 
1 1 1 -17 11 3  o 37.73276 14.43256 89.96408       129.7857 220.7808       465.4798 78.93694       135.1452 64.51362 26.45169 37.36884 14.60967 27.14478       30.21811 
1 1 1 -17 11 4  o 120.2680 5.146760 1240.641       105.7027 1350.076       147.0889 1123.770       152.0045 125.0459 6.915105 113.8563 7.866270 11.18958       10.47363 
1 1 1 -17 11 5  o 171.6675 4.499576 2525.000       131.9051 2584.956       206.3948 2483.604       171.4988 173.2712 6.975419 170.0408 5.906172 3.230438       9.139986 
1 1 1 -17 11 6  o 39.40034 9.019424 139.6745       59.37514 171.6668       79.23689 98.70718       89.66496 43.55926 10.72404 35.21684 12.21222 8.342419       16.25249 
1 1 1 -17 11 7  o 123.4214 4.655271 1305.564       98.11543 1394.746       139.0210 1217.058       138.4929 127.1917 6.421337 118.7085 6.861190 8.483215       9.397313 
1 1 1 -17 11 8  o 216.0489 4.976711 4002.965       183.6101 4037.837       288.1292 3979.122       238.2511 216.2992 7.800644 215.0756 6.486967 1.223557       10.14548 
1 1 1 -17 11 9  o 147.4807 5.117931 1865.926       128.8936 1806.727       184.7259 1922.094       179.9348 144.5411 7.509885 149.3675 7.054354 -4.826370      10.30351 
1 1 1 -17 11 10 o 144.4819 7.986564 1808.702       196.2845 2780.822       681.8334 1720.859       204.9611 170.4132 24.10243 140.7639 8.567410 29.64925       25.57983 
1 1 1 -17 11 11 o 112.5916 5.398550 1088.379       103.7971 1011.535       133.9659 1203.799       164.1829 108.0590 7.302777 117.7098 8.219554 -9.650833      10.99507 
1 1 1 -17 11 12 o 189.5420 18.49183 3296.357       590.9082 3375.508       897.8743 3235.882       784.8284 182.3847 29.86250 181.9380 26.00042 0.4466858      39.59534 
1 1 1 -17 11 13 o 116.3699 11.39137 1196.785       223.4669 1165.548       323.0141 1225.460       309.4800 112.3926 17.39157 115.9046 16.06841 -3.511986      23.67827 
1 1 1 -17 11 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 17 o 147.7435 5.975069 1878.890       150.7486 2042.185       196.1599 1643.331       235.5993 153.6808 7.474617 136.7854 10.15885 16.89532       12.61238 
1 1 1 -17 11 18 o 201.5159 5.296597 3490.932       182.2671 3738.317       227.7809 3050.567       303.9042 208.2079 6.406464 186.7264 9.562881 21.48146       11.51049 
1 1 1 -17 11 19 o 117.9104 5.987976 1200.972       120.1727 1427.518       147.1952 748.1439       208.1051 128.3865 6.737395 90.49989 13.91115 37.88657       15.45679 
1 1 1 -17 11 20 o 60.48895 8.421485 324.5140       84.62962 306.0594       97.45932 381.0920       170.6458 58.23196 10.17091 63.37171 15.81836 -5.139751      18.80606 
1 1 1 -17 11 21 o 72.37688 7.608747 460.5794       92.63258 518.4827       103.8545 235.2427       204.8751 76.71100 8.047935 51.71242 18.41673 24.99858       20.09838 
1 1 1 -17 11 22 o 154.5181 5.079041 2059.343       134.0180 2033.458       164.8436 2109.807       230.1676 153.1276 6.304008 154.6496 8.751415 -1.522079      10.78554 
1 1 1 -17 11 23 f 113.6642 5.486238 1118.611       106.4879 1002.323       128.8818 1368.792       189.0392 106.8774 7.102039 124.0091 8.987813 -17.13171      11.45512 
1 1 1 -17 11 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 25 o 25.16100 10.85037 2.513661       84.82162 119.0765       109.4389 -172.8534      134.2350 37.23928 13.43820 23.56521 11.33807 13.67407       17.58230 
1 1 1 -17 11 26 o 68.21416 8.496082 422.7282       96.82319 443.6484       117.0718 377.4461       172.2398 69.00739 10.24579 59.94025 16.36681 9.067146       19.30929 
1 1 1 -17 11 27 o 78.32726 7.033097 548.3712       93.06968 588.3429       119.1059 485.6959       149.1437 80.14185 8.850745 70.14901 12.92663 9.992844       15.66632 
1 1 1 -17 11 28 o 30.59886 11.99896 68.61997       91.37074 70.00237       105.9298 64.60218       180.5904 31.83796 12.77669 36.56600 15.80021 -4.728039      20.31971 
1 1 1 -17 11 29 o 28.42092 10.97189 62.52237       75.48159 29.79287       88.21656 151.9722       145.8379 26.75867 11.28512 39.33617 15.23263 -12.57750      18.95751 
1 1 1 -17 11 30 o 25.53154 10.69511 30.81456       78.37017 21.53131       93.40824 52.88651       144.0309 26.40298 11.38614 32.36456 14.04745 -5.961580      18.08246 
1 1 1 -17 11 31 o 42.58788 11.56393 190.9039       86.26649 138.2080       98.73483 360.9155       177.3458 36.28779 12.79982 52.85849 17.16748 -16.57070      21.41396 
1 1 1 -17 11 32 o 57.67997 9.618720 332.3116       91.40582 477.3818       115.0158 83.61158       150.5934 68.83273 10.08404 33.07943 14.36083 35.75330       17.54769 
1 1 1 -17 12 1  o 99.48077 4.966214 848.8673       84.36581 909.4476       119.4883 788.6448       119.1350 102.5328 6.863976 95.34885 7.374145 7.183998       10.07433 
1 1 1 -17 12 2  o 79.17667 5.510056 540.7837       74.03555 557.4372       101.4771 521.8311       108.2555 80.04838 7.511428 77.25748 8.337711 2.790894       11.22225 
1 1 1 -17 12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 13 o 94.57211 6.334599 773.5043       101.7106 780.6476       126.0008 760.1440       172.3187 94.68722 7.863708 92.53848 11.12766 2.148735       13.62581 
1 1 1 -17 12 14 o 155.7780 9.404241 2119.777       248.9951 0.000000       0.000000 2119.777       248.9951 ?        ?        155.7780 9.404241 0.000000       9.404241 
1 1 1 -17 12 15 o 89.60891 6.411166 695.6016       97.45668 751.4826       121.5042 594.8039       163.1865 92.86263 7.732398 81.28690 12.12709 11.57573       14.38250 
1 1 1 -17 12 16 o 114.0226 5.644982 1118.655       109.9146 1126.129       142.3282 1107.611       173.0110 113.8707 7.358788 112.4304 9.089046 1.440262       11.69455 
1 1 1 -17 12 17 o 160.6286 5.216066 2218.601       143.0764 2075.246       168.1221 2595.111       272.4627 155.0906 6.348007 172.1777 9.301271 -17.08708      11.26103 
1 1 1 -17 12 18 o 203.3566 5.309978 3559.949       184.3966 3641.006       228.0227 3406.766       313.4645 205.2399 6.506007 197.2751 9.304952 7.964706       11.35386 
1 1 1 -17 12 19 o 151.4629 5.024228 1975.076       129.9504 1805.910       157.7464 2332.307       229.2335 144.4622 6.394451 163.2589 8.249142 -18.79671      10.43731 
1 1 1 -17 12 20 o 46.60529 10.46347 200.2420       81.23436 194.2448       89.69711 227.6008       191.5806 45.69290 11.50326 50.34673 17.82208 -4.653831      21.21206 
1 1 1 -17 12 21 o 47.29317 9.884541 205.9408       77.25737 208.0179       88.73608 199.4342       157.0536 47.18166 11.18401 46.73580 16.16497 0.4458618      19.65676 
1 1 1 -17 12 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 23 o 24.83768 10.72417 0.4973656      83.06653 -98.91998      103.0864 184.5676       140.2691 22.23495 10.47796 44.40149 15.28137 -22.16654      18.52857 
1 1 1 -17 12 24 o 85.56258 7.205657 650.0562       104.3032 597.0890       126.9065 760.3182       183.1021 80.92908 9.355273 89.51629 12.30342 -8.587212      15.45624 
1 1 1 -17 12 25 o 49.71388 9.430298 230.8327       77.12893 238.6545       93.29217 213.9402       137.0997 49.76972 11.24224 46.10239 15.10028 3.667328       18.82568 
1 1 1 -17 12 26 o 72.51618 6.924895 470.4899       84.71078 454.2252       104.1512 502.2786       145.6054 70.23643 8.882147 71.65281 12.34551 -1.416382      15.20869 
1 1 1 -17 12 27 o 43.46655 11.02930 186.7569       81.99965 167.8252       91.68033 262.4680       183.3413 40.84851 12.20517 48.38358 17.40167 -7.535072      21.25521 
1 1 1 -17 12 28 o 20.98182 9.300885 -9.393155      66.21359 6.878284       74.65292 -69.40056      143.3627 23.38937 10.13257 27.09219 12.63396 -3.702814      16.19524 
1 1 1 -17 12 29 o 29.51470 10.72103 78.82129       69.82285 119.4560       79.65163 -56.02083      145.0971 34.51207 11.51958 27.43451 12.76565 7.077560       17.19484 
1 1 1 -17 12 30 o 38.42435 10.98845 153.0914       75.72971 160.0462       83.65578 121.5188       178.2416 38.94024 11.66419 36.94069 15.82598 1.999546       19.65999 
1 1 1 -17 12 31 o 22.63041 9.607664 20.33014       64.62383 -27.29933      72.81870 196.9331       140.2181 20.29162 9.298395 40.27286 15.09208 -19.98124      17.72656 
1 1 1 -17 13 1  o 102.7507 5.518676 910.1600       96.47810 872.0760       129.7009 957.3350       144.3536 100.1294 7.643150 104.8138 8.128630 -4.684441      11.15761 
1 1 1 -17 13 2  o 197.1584 5.035369 3336.897       169.5308 3445.146       261.6696 3258.590       222.5568 199.6218 7.676148 194.4283 6.703157 5.193558       10.19096 
1 1 1 -17 13 3  o 37.24117 10.74955 123.9994       72.16528 157.1291       83.88168 29.63143       141.5699 41.67327 11.43943 34.53573 14.41294 7.137539       18.40090 
1 1 1 -17 13 4  o 114.7500 5.344966 1130.857       104.7369 1144.557       141.9057 1114.464       155.2301 114.9384 7.267326 113.2172 8.082108 1.721199       10.86897 
1 1 1 -17 13 5  o 44.45366 9.846631 178.5861       72.77812 167.2986       87.49636 203.9304       131.1085 42.95346 11.63892 47.68455 14.66959 -4.731091      18.72596 
1 1 1 -17 13 6  o 100.5274 9.715446 887.3362       164.7028 0.000000       0.000000 887.3362       164.7028 ?        ?        100.5274 9.715446 0.000000       9.715446 
1 1 1 -17 13 7  o 209.8848 6.140330 3790.887       220.0770 3677.285       283.2416 3963.955       349.6014 206.1393 8.046266 213.4246 9.592388 -7.285278      12.52024 
1 1 1 -17 13 8  o 157.4899 5.022093 2129.081       135.0639 2115.692       201.0374 2140.097       182.3461 156.4773 7.523565 157.5533 6.777461 -1.076004      10.12610 
1 1 1 -17 13 9  o 108.4148 5.609142 1013.024       103.4899 958.8245       141.6868 1075.009       151.5212 104.9655 7.963977 111.1584 8.036476 -6.192856      11.31415 
1 1 1 -17 13 10 o 53.52208 9.294394 256.0059       81.86676 274.0276       100.7788 221.0385       140.3793 54.98127 11.11593 49.43724 15.17450 5.544022       18.81035 
1 1 1 -17 13 11 o 158.4250 5.081536 2155.465       137.4741 2356.541       203.8003 1987.581       186.2220 165.1619 7.225919 151.6912 7.189003 13.47064       10.19292 
1 1 1 -17 13 12 o 160.1072 5.520078 2204.262       150.9239 2108.885       199.7131 2331.255       230.4484 156.1432 7.489996 163.7407 8.268414 -7.597488      11.15647 
1 1 1 -17 13 13 o 106.5582 6.147560 981.6122       111.3893 926.8002       134.7061 1100.132       198.0818 103.1653 7.701837 111.5564 10.52226 -8.391129      13.03979 
1 1 1 -17 13 14 o 58.29045 8.315913 300.9768       80.43028 422.5239       97.63055 44.24511       141.8905 69.21907 8.433948 35.27330 14.54986 33.94577       16.81755 
1 1 1 -17 13 15 o 96.10318 10.68391 823.2588       172.3678 0.000000       0.000000 823.2588       172.3678 ?        ?        96.10318 10.68391 0.000000       10.68391 
1 1 1 -17 13 16 o 79.86005 6.849973 556.4014       92.51163 573.9474       108.4299 509.4545       177.3629 80.82350 7.959425 73.73488 14.60255 7.088623       16.63090 
1 1 1 -17 13 17 o 60.14494 7.910001 320.6645       79.27090 279.9361       86.32903 539.6297       200.1685 55.70428 9.410678 74.97060 16.11472 -19.26632      18.66132 
1 1 1 -17 13 18 o 63.52456 7.181697 355.7867       76.53773 353.5608       86.50214 363.8134       164.2593 63.01641 8.235421 61.23098 15.65008 1.785431       17.68466 
1 1 1 -17 13 19 o 62.14226 9.267041 348.9248       95.33319 348.9248       95.33319 0.000000       0.000000 62.14226 9.267041 ?        ?        0.000000       9.267041 
1 1 1 -17 13 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 13 21 o 24.05361 10.41555 -2.238950      78.80857 -10.99546      94.28759 18.05876       143.5531 25.60909 11.23518 32.86032 14.14322 -7.251240      18.06266 
1 1 1 -17 13 22 o 129.0488 5.384516 1447.370       118.6595 1438.614       141.5736 1468.046       217.5466 127.9945 6.498547 126.8443 10.12781 1.150169       12.03344 
1 1 1 -17 13 23 o 47.92792 9.925350 215.9548       78.56030 206.2736       95.52747 236.1832       138.0837 46.05476 12.01888 48.34414 15.08502 -2.289383      19.28759 
1 1 1 -17 13 24 o 109.5541 5.796643 1054.186       108.0585 1210.753       137.5190 801.4946       174.7058 116.7424 6.929172 91.89822 11.37568 24.84419       13.31990 
1 1 1 -17 13 25 o 37.95638 10.90583 140.0695       74.43238 149.9971       83.08087 99.69448       167.5461 39.09513 11.60446 37.92058 15.74015 1.174553       19.55546 
1 1 1 -17 13 26 o 65.37176 7.089747 387.5417       77.87636 351.6783       89.28532 501.5877       159.2187 61.31464 8.777822 69.30052 13.93715 -7.985886      16.47102 
1 1 1 -17 13 27 o 34.94746 10.89936 121.3585       72.09643 76.27597       82.62437 265.2199       147.5965 30.16815 11.52114 48.05016 15.66425 -17.88201      19.44493 
1 1 1 -17 13 28 f 32.37261 10.17970 103.2183       62.74510 125.2394       69.47602 5.803960       146.1259 35.27009 10.64447 30.09465 13.54405 5.175438       17.22631 
1 1 1 -17 13 29 o 57.21790 7.188157 304.4128       68.68446 302.0912       74.10506 318.5625       182.9509 56.54186 7.889929 48.85371 17.40293 7.688152       19.10793 
1 1 1 -17 13 30 o 45.66637 9.157047 207.5491       68.92368 194.3654       74.69052 283.1698       178.8819 43.38873 10.24465 45.33130 17.03481 -1.942570      19.87806 
1 1 1 -17 14 1  o 65.99352 6.966041 381.4864       77.31725 434.0311       100.0258 303.4893       121.8671 70.02046 8.542469 57.13890 12.80664 12.88156       15.39428 
1 1 1 -17 14 2  o 174.2340 4.875669 2610.243       145.0672 2699.447       222.6904 2544.483       191.2027 176.3878 7.393175 171.5516 6.526755 4.836273       9.861925 
1 1 1 -17 14 3  o 72.90216 6.816470 463.5892       83.87488 515.4846       104.2672 368.4322       141.1898 76.59119 8.094640 62.99481 13.52875 13.59637       15.76548 
1 1 1 -17 14 4  o 97.46909 8.374870 832.4395       138.0411 0.000000       0.000000 832.4395       138.0411 ?        ?        97.46909 8.374870 0.000000       8.374870 
1 1 1 -17 14 5  o 86.12931 7.080510 646.0344       103.2179 560.0349       123.7872 842.2579       186.9835 79.57432 9.284180 97.00864 11.51199 -17.43432      14.78925 
1 1 1 -17 14 6  o 104.0957 5.832695 936.3926       103.2647 807.8909       126.2993 1195.528       179.3535 96.21210 7.753018 116.7349 9.068368 -20.52284      11.93083 
1 1 1 -17 14 7  o 83.63864 5.964176 605.9063       84.62604 548.4999       108.3131 695.8638       135.5874 79.06068 8.138959 88.88157 9.059840 -9.820892      12.17881 
1 1 1 -17 14 8  o 75.42060 6.754667 495.4249       86.07382 600.2877       114.2866 357.9869       130.8391 82.71953 8.198666 62.38549 12.71297 20.33403       15.12738 
1 1 1 -17 14 9  o 92.40907 5.578657 737.9778       87.62039 722.8866       114.4990 759.3044       136.1130 91.03452 7.430152 92.96540 8.674044 -1.930878      11.42130 
1 1 1 -17 14 10 o 86.31792 6.013589 645.7263       88.08767 672.2426       109.3672 596.7581       148.6234 87.76210 7.365691 81.57327 10.94543 6.188828       13.19303 
1 1 1 -17 14 11 o 132.2169 5.080776 1504.086       114.7147 1447.073       162.6360 1560.535       161.8291 128.9287 7.418238 134.0109 7.096832 -5.082214      10.26622 
1 1 1 -17 14 12 o 41.81642 9.463232 159.3148       65.99883 193.8137       76.05886 54.16383       132.7865 46.09459 9.953942 34.85953 14.19138 11.23507       17.33425 
1 1 1 -17 14 13 o 137.7076 5.429148 1635.258       127.6708 1831.016       171.7254 1393.343       190.9005 145.2703 6.922389 125.7653 8.947181 19.50492       11.31245 
1 1 1 -17 14 14 o 36.24643 11.09114 118.1931       75.06052 148.6787       81.49096 -52.42281      192.7845 40.20890 11.36419 34.87694 15.63764 5.331966       19.33082 
1 1 1 -17 14 15 o 120.9306 5.810315 1265.520       119.9880 1344.809       148.8763 1118.547       202.6917 124.0823 7.055235 111.4469 10.78529 12.63537       12.88794 
1 1 1 -17 14 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 14 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 14 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 14 19 o 106.5346 5.429723 987.3719       98.45260 1039.928       117.1957 861.3373       181.4867 108.9842 6.324378 96.61217 11.20873 12.37206       12.86986 
1 1 1 -17 14 20 o 55.58970 7.084905 275.9841       65.72691 241.0762       73.77950 410.2237       144.6819 51.32098 8.731274 64.81786 13.50930 -13.49688      16.08529 
1 1 1 -17 14 21 o 105.0533 5.478440 964.1228       97.94025 954.2607       113.3647 993.1478       194.4820 104.0819 6.409407 103.0355 11.23539 1.046417       12.93501 
1 1 1 -17 14 22 o 38.96317 8.737587 141.9181       56.70222 158.0368       62.59865 68.24679       133.8285 41.01518 9.167984 34.35419 14.14585 6.660992       16.85696 
1 1 1 -17 14 23 o 108.1987 5.233463 1022.880       96.69706 1121.872       116.9954 809.4871       171.7740 112.7053 6.101588 92.16969 11.13959 20.53561       12.70118 
1 1 1 -17 14 24 o 80.64071 5.775100 576.0015       79.00070 524.4791       91.00964 733.5005       159.1214 76.25169 7.069746 87.29570 10.91256 -11.04401      13.00251 
1 1 1 -17 14 25 o 103.2294 5.790608 946.7228       101.6653 997.9214       122.4985 833.4089       182.2398 105.1789 6.857765 91.31551 11.97553 13.86337       13.80009 
1 1 1 -17 14 26 o 35.47389 10.79945 126.1312       71.28703 111.6459       81.33337 174.1409       148.0707 33.74131 11.63496 40.41788 15.42616 -6.676571      19.32198 
1 1 1 -17 14 27 o 20.64421 9.251503 -13.85602      67.38657 -29.61394      73.18190 73.98151       172.7803 20.48113 9.361587 34.74865 15.22780 -14.26751      17.87527 
1 1 1 -17 14 28 o 35.29814 9.910275 126.8737       62.18732 149.5152       66.40802 -34.45049      177.2627 38.24321 10.04068 29.89868 13.97803 8.344536       17.21048 
1 1 1 -17 15 1  o 80.46770 6.701088 566.5727       91.24359 651.2522       113.1949 409.4786       154.1763 85.95644 7.796463 65.56074 14.18340 20.39570       16.18499 
1 1 1 -17 15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 7  o 115.4824 6.132374 1158.031       120.4999 1109.447       146.4952 1259.672       211.8905 112.4972 7.671472 118.5626 10.57660 -6.065407      13.06583 
1 1 1 -17 15 8  o 105.2528 5.945606 961.6527       106.4268 865.5644       124.0753 1229.193       207.0354 99.39940 7.362052 117.1408 10.45989 -17.74136      12.79098 
1 1 1 -17 15 9  o 232.4378 6.166699 4681.869       244.7719 4656.224       327.4510 4714.344       368.4913 230.4133 8.322177 231.0554 9.339190 -0.6421204     12.50916 
1 1 1 -17 15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 15 o 19.67887 8.781154 -20.37057      60.01769 6.959950       65.93439 -152.4764      144.9603 22.88767 9.710041 25.66986 12.19366 -2.782192      15.58750 
1 1 1 -17 15 16 o 57.96529 7.540387 300.2919       72.87141 256.6817       83.08162 445.7285       151.7218 52.81294 9.564325 67.97898 13.54548 -15.16604      16.58181 
1 1 1 -17 15 17 o 69.36691 12.36535 458.1570       141.1033 391.9607       346.9241 471.2782       154.4560 59.96737 23.41791 69.74149 13.45669 -9.774124      27.00890 
1 1 1 -17 15 18 o 86.95787 6.125961 664.3100       90.38579 700.5984       103.1012 543.8104       187.8766 89.01101 6.835129 73.36002 15.48360 15.65099       16.92515 
1 1 1 -17 15 19 o 32.52948 9.589377 98.33628       56.89227 90.73776       60.71007 153.1144       163.0045 31.53695 10.02442 41.99691 16.14812 -10.45996      19.00660 
1 1 1 -17 15 20 o 82.25779 6.067811 596.9776       84.63190 585.9114       96.14227 635.0704       178.3757 81.05295 7.015314 80.14500 13.51411 0.9079514      15.22648 
1 1 1 -17 15 21 o 32.75513 9.839858 101.2047       59.47063 109.0632       64.17486 53.42105       158.2466 33.90073 10.23011 34.87185 14.92504 -0.9711189     18.09453 
1 1 1 -17 15 22 o 36.62758 9.193604 128.4196       57.41525 135.2642       63.99340 100.1676       130.0126 37.38736 9.875942 35.54918 14.19392 1.838184       17.29166 
1 1 1 -17 15 23 o 24.19728 9.207910 43.28262       52.65850 68.92496       56.32772 -134.5247      148.3263 27.81730 9.677439 25.41513 12.14558 2.402176       15.52958 
1 1 1 -17 15 24 o 47.44712 8.708342 214.5834       67.95798 230.2695       75.96702 151.7369       152.0573 48.75327 9.466004 39.07830 15.42959 9.674969       18.10186 
1 1 1 -17 15 25 o 83.20971 6.107306 622.4999       86.17496 661.2740       100.4714 514.5915       167.6099 85.13696 6.971838 67.81886 14.88133 17.31811       16.43351 
1 1 1 -17 15 26 o 32.39019 9.908744 104.9126       59.91380 136.0883       65.59616 -52.00236      147.1641 36.59563 10.14436 27.35496 12.77119 9.240675       16.30985 
1 1 1 -17 15 27 o 25.83199 9.278420 60.37108       52.10633 70.29420       55.86859 -5.950869      144.4349 27.35014 9.630391 28.62298 13.10856 -1.272848      16.26587 
1 1 1 -17 16 1  o 79.91117 13.69083 610.5323       180.1056 0.000000       0.000000 610.5323       180.1056 ?        ?        79.91117 13.69083 0.000000       13.69083 
1 1 1 -17 16 2  o 154.4477 4.937841 2062.008       130.2328 2112.025       191.6989 2019.137       177.4764 155.2243 7.231993 151.9813 6.838307 3.243011       9.953098 
1 1 1 -17 16 3  o 48.46450 9.401803 215.7110       75.00290 132.1473       98.61192 330.3967       115.5248 38.35862 12.81745 59.28509 11.82574 -20.92647      17.43947 
1 1 1 -17 16 4  o 154.7477 4.705822 2066.973       124.3545 2165.987       192.6096 1996.199       162.8422 157.2921 7.170824 151.4302 6.297273 5.861908       9.543393 
1 1 1 -17 16 5  o 109.0436 4.987023 1027.571       92.86313 1123.742       133.6622 937.8361       129.1125 113.1980 6.948212 103.2008 7.374860 9.997177       10.13243 
1 1 1 -17 16 6  f 67.20210 6.391785 396.5786       72.46768 520.2753       95.68433 230.1818       110.9774 76.72011 7.395060 49.04748 13.02925 27.67263       14.98160 
1 1 1 -17 16 7  o 51.10110 8.327747 235.8071       70.16770 212.6861       94.02666 264.8655       105.4104 47.46289 11.68026 52.94899 11.94254 -5.486092      16.70487 
1 1 1 -17 16 8  o 89.45728 5.697542 696.9343       86.58417 590.3458       117.2338 824.8488       128.4274 81.28316 8.575417 96.53239 7.859034 -15.24923      11.63195 
1 1 1 -17 16 9  o 45.28959 9.380738 188.9556       70.16335 228.8582       87.82024 118.5355       116.6654 49.51051 10.69935 37.92086 13.84546 11.58965       17.49779 
1 1 1 -17 16 10 o 84.33765 6.807919 625.6862       97.21214 621.5581       111.7307 638.5462       197.2048 83.63006 7.917906 81.10255 14.78376 2.527512       16.77059 
1 1 1 -17 16 11 f 81.00812 6.137715 574.7628       84.27511 536.4928       106.1555 639.9955       138.5945 77.51311 8.141464 83.92051 9.858946 -6.407394      12.78602 
1 1 1 -17 16 12 o 104.9188 5.629318 959.2678       100.4899 966.2878       128.4539 948.1953       161.3263 104.6221 7.234313 102.5440 9.314434 2.078094       11.79381 
1 1 1 -17 16 13 o 72.31510 6.653559 461.7107       81.24304 453.6574       96.95731 480.6926       148.8556 71.11013 8.130644 70.89637 12.76475 0.2137604      15.13427 
1 1 1 -17 16 14 o 131.2962 5.468883 1499.258       122.6176 1512.799       156.7432 1477.901       196.8423 130.9369 7.035904 128.0660 9.059289 2.870895       11.47060 
1 1 1 -17 16 15 o 81.06602 7.436156 585.8885       101.7938 585.9271       122.0339 585.8005       184.5602 80.26604 9.061867 76.75729 14.61424 3.508751       17.19574 
1 1 1 -17 16 16 o 26.55589 10.53963 41.34151       71.29055 83.16197       84.44833 -62.38101      132.9943 31.98412 11.76416 27.33728 12.54140 4.646835       17.19541 
1 1 1 -17 16 17 o 74.55495 10.73229 523.1503       132.7001 853.2217       283.3409 430.4092       150.1901 87.29263 19.49963 65.54103 13.85269 21.75159       23.91929 
1 1 1 -17 16 18 o 68.25750 6.962571 417.4247       80.01997 378.9899       96.43747 502.3768       143.3741 63.98053 9.081548 71.82976 12.12001 -7.849228      15.14494 
1 1 1 -17 16 19 o 87.39679 5.958257 676.0951       88.39315 674.0283       107.5684 680.3926       155.1128 86.47368 7.354301 84.22163 11.05183 2.252045       13.27512 
1 1 1 -17 16 20 o 68.81800 6.640866 425.7456       77.07291 416.5482       91.80414 447.7069       141.8597 67.22471 8.164664 66.26617 13.00057 0.9585342      15.35176 
1 1 1 -17 16 21 o 54.47866 8.428014 278.0798       75.87537 269.5644       88.88342 300.9540       145.6771 52.54265 10.27434 51.81399 15.36327 0.7286644      18.48221 
1 1 1 -17 16 22 o 24.06754 9.902822 29.27103       65.52534 21.95703       73.41147 57.93213       145.3224 24.36981 10.28709 33.02703 14.22248 -8.657219      17.55287 
1 1 1 -17 16 23 o 33.88363 10.59802 114.3153       68.10986 83.90703       76.70564 227.6363       148.0768 30.43741 11.20938 44.35965 15.67213 -13.92224      19.26826 
1 1 1 -17 16 24 o 35.88265 10.28727 130.7761       66.29452 133.9082       71.28867 110.7423       180.2952 36.12521 10.75546 36.51061 15.78177 -0.3854065     19.09828 
1 1 1 -17 16 25 o 26.83640 10.19412 61.66333       64.47086 64.73145       69.13840 41.21416       178.4927 27.48115 10.52856 32.76117 14.83549 -5.280020      18.19182 
1 1 1 -17 17 1  o 70.12763 7.150363 438.5735       84.43077 464.7094       122.1235 414.6433       116.8569 70.59759 10.44525 66.51564 10.64706 4.081947       14.91520 
1 1 1 -17 17 2  o 46.02524 10.04239 199.3434       76.70985 212.2642       107.3598 185.8667       109.6445 46.52668 13.00674 43.67935 13.41147 2.847332       18.68269 
1 1 1 -17 17 3  o 34.53959 11.72617 106.5974       82.54801 60.82653       116.8101 152.2594       116.6711 32.82929 13.33126 40.50275 13.93696 -7.673458      19.28630 
1 1 1 -17 17 4  o 41.63731 10.07911 163.2652       70.89601 161.2378       93.94493 165.9473       108.0531 41.07138 12.37386 41.70736 13.38593 -0.6359787     18.22897 
1 1 1 -17 17 5  o 94.47113 5.351090 777.9920       85.97169 815.4177       126.9739 746.3105       116.8240 95.61980 7.845271 91.60510 7.534912 4.014702       10.87765 
1 1 1 -17 17 6  o 93.89534 5.347636 768.5475       85.38996 808.1021       125.4838 734.4352       116.5318 95.21833 7.785394 90.84749 7.580795 4.370842       10.86650 
1 1 1 -17 17 7  o 162.7764 4.672075 2293.382       129.8683 2420.193       207.2756 2211.429       166.6298 165.5852 7.330350 159.0636 6.134509 6.521622       9.558568 
1 1 1 -17 17 8  o 190.1603 4.863259 3134.084       157.9244 3210.106       246.5680 3081.205       205.6398 190.4403 7.581862 187.5164 6.421934 2.923859       9.936090 
1 1 1 -17 17 9  o 27.36099 9.715787 60.92137       56.97920 49.38821       65.38829 97.31004       116.1472 26.80469 10.24624 35.58818 13.64347 -8.783493      17.06252 
1 1 1 -17 17 10 o 110.6195 5.106818 1062.991       96.46812 1170.300       138.0561 960.6033       134.8533 114.9793 7.065491 103.8046 7.661667 11.17464       10.42220 
1 1 1 -17 17 11 o 45.92358 8.829565 195.1864       66.72816 231.9826       83.70522 131.0336       110.5245 49.59736 10.22295 38.12175 13.53216 11.47561       16.95960 
1 1 1 -17 17 12 o 52.25539 9.342336 253.8604       80.30603 253.7289       85.08005 254.9341       243.1557 51.97564 9.948123 50.37914 19.62423 1.596500       22.00172 
1 1 1 -17 17 13 o 41.35243 10.40109 163.7234       73.37936 207.4740       87.43960 59.53922       134.9327 46.30311 11.18419 33.86324 14.09645 12.43987       17.99433 
1 1 1 -17 17 14 o 99.88889 6.209396 881.5721       105.3934 858.7028       126.2376 934.1854       191.4743 97.75648 7.622321 98.94048 11.55012 -1.183998      13.83853 
1 1 1 -17 17 15 o 63.02285 8.777958 367.1303       91.90503 328.5933       103.2888 513.6189       201.3799 58.50473 10.73414 68.05108 17.29338 -9.546345      20.35394 
1 1 1 -17 17 16 o 57.20097 8.289163 302.0559       78.60907 266.2585       85.64880 493.3554       197.9943 52.85187 9.852305 66.08273 17.33111 -13.23085      19.93578 
1 1 1 -17 17 17 o 67.75945 7.233065 416.5192       82.40063 423.1858       90.41339 383.8300       200.2086 67.90255 7.947660 56.62431 18.22594 11.27824       19.88342 
1 1 1 -17 17 18 o 54.88718 14.63087 327.6482       139.6278 404.5812       274.6019 300.8217       162.1547 54.58613 20.96616 51.19627 16.39464 3.389862       26.61511 
1 1 1 -17 17 19 o 38.90953 9.844231 148.6268       65.45984 141.0373       75.92532 170.6055       129.2053 37.50810 11.08381 40.39566 14.59770 -2.887566      18.32877 
1 1 1 -17 17 20 o 28.37351 10.17922 71.47778       62.69736 66.18326       69.23098 95.62311       147.8441 28.18564 10.59639 35.30252 14.73055 -7.116877      18.14587 
1 1 1 -17 17 21 o 47.17739 8.627069 213.4088       66.94107 221.4929       74.50790 179.5635       152.4537 47.55083 9.508027 40.44563 15.59891 7.105198       18.26824 
1 1 1 -17 17 22 o 99.12755 5.474567 877.8943       92.31226 962.3400       108.1317 650.9545       177.2637 103.1934 6.164376 76.60596 14.06896 26.58744       15.36018 
1 1 1 -17 17 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 18 1  o 28.25005 11.30751 49.47663       82.73396 -7.818603      126.0458 92.84675       109.6641 28.80800 12.79832 34.11178 13.20920 -5.303774      18.39239 
1 1 1 -17 18 2  o 58.36094 9.147861 317.6051       88.17203 398.7248       134.8867 257.0828       116.5102 63.09827 12.95236 50.18793 13.35860 12.91034       18.60688 
1 1 1 -17 18 3  o 56.52000 9.351118 299.1011       87.09835 211.2930       131.4362 367.8491       116.2995 45.27473 14.78295 61.53588 11.49001 -16.26115      18.72314 
1 1 1 -17 18 4  o 79.67840 6.493160 564.8174       87.58005 501.8855       123.8201 627.8242       123.8937 72.97834 10.21560 82.61076 8.924131 -9.632416      13.56461 
1 1 1 -17 18 5  o 56.47853 6.662112 286.0297       63.01694 244.9746       87.15487 331.0070       91.22308 50.52507 10.44646 59.57916 9.267406 -9.054096      13.96472 
1 1 1 -17 18 6  f 71.50442 6.438696 455.1703       77.77675 443.9180       108.1007 467.2465       111.9882 69.06356 9.410979 70.82694 9.498482 -1.763382      13.37115 
1 1 1 -17 18 7  o 135.9141 4.938535 1610.191       114.6211 1632.908       170.3416 1591.394       154.9471 134.9713 7.419039 133.7417 6.806942 1.229584       10.06859 
1 1 1 -17 18 8  o 23.56052 9.387927 31.57037       56.76830 29.77428       65.63445 36.90389       113.1032 24.51943 9.979090 30.21945 12.76322 -5.700024      16.20129 
1 1 1 -17 18 9  o 68.70067 6.528453 421.4824       75.66972 517.1520       102.8641 308.6538       111.7085 75.29473 8.129109 55.81012 12.07222 19.48462       14.55407 
1 1 1 -17 18 10 o 34.87822 10.75112 116.6586       70.38139 52.16317       80.68011 322.0146       143.9647 28.23733 11.21057 55.01864 14.93844 -26.78131      18.67710 
1 1 1 -17 18 11 f 24.72650 10.37241 21.50770       73.88091 77.00253       88.95722 -101.8783      132.6441 31.18529 11.94382 25.20833 11.88109 5.976955       16.84682 
1 1 1 -17 18 12 o 38.77169 11.14829 148.3051       77.75304 161.6759       91.56789 113.7483       147.2082 40.15002 12.24331 37.37223 15.03910 2.777790       19.39261 
1 1 1 -17 18 13 o 32.64853 10.84537 100.6467       70.63065 59.01366       86.24117 185.4597       123.0911 29.17553 11.58814 42.25570 14.31925 -13.08017      18.42080 
1 1 1 -17 18 14 o 18.07466 8.539964 -66.54808      69.30550 -37.50281      73.59586 -294.1009      205.9950 20.36038 9.336516 26.68286 13.10335 -6.322487      16.08939 
1 1 1 -17 18 15 o 36.08708 11.55387 129.0073       80.53737 194.5641       88.63496 -181.3963      192.8678 43.79115 11.64937 28.09139 13.53458 15.69976       17.85757 
1 1 1 -17 18 16 o 25.20485 10.43199 31.02494       73.29181 10.71297       79.60024 144.1494       187.8524 24.31750 10.49880 39.97591 16.63608 -15.65841      19.67191 
1 1 1 -17 18 17 o 34.91904 10.99770 121.5214       73.20214 103.6183       82.96222 184.4635       155.5560 32.96279 11.72158 41.38283 15.80726 -8.420036      19.67905 
1 1 1 -17 18 18 o 31.45186 10.34778 96.25623       64.35499 160.8232       71.35311 -185.3145      149.0053 39.95633 10.36801 23.63004 11.50500 16.32629       15.48744 
1 1 1 -17 18 19 o 45.20811 9.892143 204.0711       74.24541 190.0913       81.40971 273.1750       180.9994 42.86133 11.05156 46.22172 17.18113 -3.360394      20.42861 
1 1 1 -17 18 20 o 82.94444 7.895336 645.3632       110.4809 645.3632       110.4809 0.000000       0.000000 82.94444 7.895336 ?        ?        0.000000       7.895336 
1 1 1 -17 19 1  o 71.24546 6.607420 457.2290       79.47324 566.7608       125.7611 384.4066       102.5436 77.15559 9.763522 63.36765 9.791986 13.78794       13.82785 
1 1 1 -17 19 2  o 50.06749 9.436635 240.0557       77.72236 391.3548       133.9554 163.2734       95.42734 61.47165 13.15819 39.98739 12.55069 21.48426       18.18400 
1 1 1 -17 19 3  o 60.33359 8.453868 338.9640       84.70833 246.1750       134.9210 399.3373       108.8313 47.52080 14.92487 64.39893 10.23906 -16.87814      18.09945 
1 1 1 -17 19 4  o 31.16622 11.17120 87.04496       75.49683 140.4302       102.0137 22.40031       112.2572 37.66127 13.02797 28.78553 12.44773 8.875746       18.01871 
1 1 1 -17 19 5  o 50.16777 10.50409 246.0336       87.10270 200.9789       127.4139 285.5627       119.3453 43.54807 14.56943 52.27817 13.32811 -8.730103      19.74606 
1 1 1 -17 19 6  o 20.46955 8.999660 -6.192605      60.78514 44.43089       82.59509 -66.00665      89.78003 27.50625 11.19453 21.25411 9.940141 6.252132       14.97077 
1 1 1 -17 19 7  o 33.86139 10.10248 110.9713       62.84680 76.28846       74.00964 200.6400       119.0012 29.88461 11.00990 43.60281 14.05332 -13.71821      17.85256 
1 1 1 -17 19 8  o 31.15160 10.70038 89.77432       68.75961 118.7673       85.37753 36.25943       115.9938 35.03537 11.92530 29.95961 12.79918 5.075760       17.49376 
1 1 1 -17 19 9  o 56.73093 8.769936 302.6523       82.22033 193.0083       111.9327 431.1397       121.1700 42.83642 13.61106 66.22601 11.10763 -23.38959      17.56816 
1 1 1 -17 19 10 o 83.95433 6.279594 631.1038       89.37582 628.8291       114.7462 634.6124       142.5114 82.43839 8.262130 80.92682 10.56435 1.511574       13.41150 
1 1 1 -17 19 11 o 37.60305 11.12865 141.9372       76.49151 125.9031       99.61006 164.9807       119.4138 35.87373 12.83462 39.82826 14.07353 -3.954533      19.04709 
1 1 1 -17 19 12 o 23.12194 10.08159 3.605761       74.88579 -48.10993      89.89158 120.8968       135.3755 21.97651 10.16411 36.47877 14.50926 -14.50226      17.71519 
1 1 1 -17 19 13 o 21.72860 9.634739 -7.762280      71.10297 -26.21786      86.49947 30.68963       124.8558 22.65191 10.28532 29.89646 13.02703 -7.244551      16.59794 
1 1 1 -17 19 14 o 48.82243 10.17944 236.9322       82.11889 238.5211       97.67216 233.1005       151.6768 47.72274 11.99797 44.60084 15.85030 3.121906       19.87922 
1 1 1 -17 19 15 o 44.83637 10.58680 203.8514       79.76083 227.0780       88.09820 98.26865       187.8322 47.00244 11.14521 36.53371 15.94699 10.46872       19.45564 
1 1 1 -17 19 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  1  o 260.4734 19.52071 5938.237       857.0702 5938.237       857.0702 5938.237       857.0702 260.4734 19.52071 260.4734 19.52071 0.000000       0.000000 
1 1 1 -16 0  2  o 257.1321 7.287666 5665.086       319.4161 5665.086       319.4161 5665.086       319.4161 257.1321 7.287666 257.1321 7.287666 0.000000       0.000000 
1 1 1 -16 0  3  o 179.8980 8.103909 2783.629       247.8059 2783.629       247.8059 2783.629       247.8059 179.8980 8.103909 179.8980 8.103909 -0.000000      0.000000 
1 1 1 -16 0  4  o 133.9626 14.85105 1594.100       329.0640 1594.100       329.0640 1594.100       329.0640 133.9626 14.85105 133.9626 14.85105 -0.000000      0.000000 
1 1 1 -16 0  5  o 154.2877 14.80696 2096.240       381.8682 2096.240       381.8682 2096.240       381.8682 154.2877 14.80696 154.2877 14.80696 -0.000000      0.000000 
1 1 1 -16 0  6  o 155.7430 23.16608 2222.462       575.9988 2222.462       575.9988 2222.462       575.9988 155.7430 23.16608 155.7430 23.16608 0.000000       0.000000 
1 1 1 -16 0  7  f 345.8395 35.18824 10755.66       2028.824 10755.66       2028.824 10755.66       2028.824 345.8395 35.18824 345.8395 35.18824 0.000000       0.000000 
1 1 1 -16 0  8  o 904.7090 95.08414 83800.03       14318.58 83800.03       14318.58 83800.03       14318.58 904.7090 95.08414 904.7090 95.08414 -0.000000      0.000000 
1 1 1 -16 0  9  f 347.1546 35.33570 10849.56       2045.037 10849.56       2045.037 10849.56       2045.037 347.1546 35.33570 347.1546 35.33570 0.000000       0.000000 
1 1 1 -16 0  10 o 513.4182 50.20871 24262.06       4305.383 24262.06       4305.383 24262.06       4305.383 513.4182 50.20871 513.4182 50.20871 0.000000       0.000000 
1 1 1 -16 0  11 o 190.3499 24.47536 3280.382       759.4671 3280.382       759.4671 3280.382       759.4671 190.3499 24.47536 190.3499 24.47536 0.000000       0.000000 
1 1 1 -16 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  15 o 179.2121 23.59329 2925.618       687.2788 2925.618       687.2788 2925.618       687.2788 179.2121 23.59329 179.2121 23.59329 -0.000000      0.000000 
1 1 1 -16 0  16 o 133.2080 22.13751 1657.720       461.7519 1657.720       461.7519 1657.720       461.7519 133.2080 22.13751 133.2080 22.13751 0.000000       0.000000 
1 1 1 -16 0  17 o 39.17456 23.16330 153.3172       266.7480 153.3172       266.7480 153.3172       266.7480 39.17456 23.16330 39.17456 23.16330 0.000000       0.000000 
1 1 1 -16 0  18 o 22.68171 14.06298 30.93541       108.6230 30.93541       108.6230 30.93541       108.6230 22.68171 14.06298 22.68171 14.06298 0.000000       0.000000 
1 1 1 -16 0  19 o 205.2914 8.727510 3633.383       304.7013 3633.383       304.7013 3633.383       304.7013 205.2914 8.727510 205.2914 8.727510 0.000000       0.000000 
1 1 1 -16 0  20 o 65.79040 16.65892 438.5647       161.8384 438.5647       161.8384 438.5647       161.8384 65.79040 16.65892 65.79040 16.65892 -0.000000      0.000000 
1 1 1 -16 0  21 o 18.43787 12.53733 -65.26250      120.0307 -65.26250      120.0307 -65.26250      120.0307 18.43787 12.53733 18.43787 12.53733 -0.000000      0.000000 
1 1 1 -16 0  22 o 184.7750 8.794644 2953.523       276.0675 2953.523       276.0675 2953.523       276.0675 184.7750 8.794644 184.7750 8.794644 -0.000000      0.000000 
1 1 1 -16 0  23 o 63.57944 19.99104 443.5678       190.6237 443.5678       190.6237 443.5678       190.6237 63.57944 19.99104 63.57944 19.99104 0.000000       0.000000 
1 1 1 -16 0  24 o 96.80258 11.12093 840.8190       177.5430 840.8190       177.5430 840.8190       177.5430 96.80258 11.12093 96.80258 11.12093 0.000000       0.000000 
1 1 1 -16 0  25 o 191.6109 9.288000 3187.187       302.2814 3187.187       302.2814 3187.187       302.2814 191.6109 9.288000 191.6109 9.288000 -0.000000      0.000000 
1 1 1 -16 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  28 o 26.81279 17.50166 -8.108507      196.0827 -8.108507      196.0827 -8.108507      196.0827 26.81279 17.50166 26.81279 17.50166 0.000000       0.000000 
1 1 1 -16 0  29 o 68.90369 16.50308 483.1787       168.4433 483.1787       168.4433 483.1787       168.4433 68.90369 16.50308 68.90369 16.50308 -0.000000      0.000000 
1 1 1 -16 0  30 f 78.20946 13.87026 587.6434       167.8672 587.6434       167.8672 587.6434       167.8672 78.20946 13.87026 78.20946 13.87026 0.000000       0.000000 
1 1 1 -16 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  32 o 95.04163 10.29236 823.9037       162.0804 823.9037       162.0804 823.9037       162.0804 95.04163 10.29236 95.04163 10.29236 0.000000       0.000000 
1 1 1 -16 0  33 o 60.80018 13.70390 378.0308       124.1425 378.0308       124.1425 378.0308       124.1425 60.80018 13.70390 60.80018 13.70390 0.000000       0.000000 
1 1 1 -16 0  34 o 27.68900 15.82911 103.3571       117.9594 103.3571       117.9594 103.3571       117.9594 27.68900 15.82911 27.68900 15.82911 -0.000000      0.000000 
1 1 1 -16 0  35 o 26.95996 15.57120 100.4245       115.9508 100.4245       115.9508 100.4245       115.9508 26.95996 15.57120 26.95996 15.57120 0.000000       0.000000 
1 1 1 -16 0  36 o 20.83503 14.12552 -33.40082      150.0878 -33.40082      150.0878 -33.40082      150.0878 20.83503 14.12552 20.83503 14.12552 0.000000       0.000000 
1 1 1 -16 0  37 o 25.23270 16.93679 20.41063       205.6234 20.41063       205.6234 20.41063       205.6234 25.23270 16.93679 25.23270 16.93679 0.000000       0.000000 
1 1 1 -16 1  1  o 276.8604 14.06669 6620.504       662.8651 6733.145       937.9036 6508.089       936.9626 277.6351 19.91483 272.8269 20.25554 4.808136       28.40576 
1 1 1 -16 1  2  o 541.3815 11.60387 25168.07       1072.774 23236.20       2882.155 25478.76       1155.823 508.8770 33.35120 544.4849 12.43093 -35.60785      35.59256 
1 1 1 -16 1  3  o 72.40885 7.744291 453.8347       94.27323 455.8816       113.4691 449.2729       169.3945 72.34039 9.407990 70.97626 14.46682 1.364120       17.25686 
1 1 1 -16 1  4  o 408.9579 10.19170 14337.91       711.7492 14274.38       768.0709 14724.05       1893.590 407.9105 11.02642 408.5359 27.29991 -0.6254272     29.44261 
1 1 1 -16 1  5  o 202.7770 8.026796 3519.510       277.9476 3422.831       313.3916 3875.862       601.6730 199.8966 9.180792 211.2672 16.81656 -11.37059      19.15943 
1 1 1 -16 1  6  o 275.4677 16.21463 6566.232       759.3818 6649.801       1315.390 6524.458       930.0129 273.4830 28.58837 273.6353 20.04227 -0.1523132     34.91400 
1 1 1 -16 1  7  o 557.7228 29.47237 27515.51       2796.989 27435.15       4843.351 27555.71       3426.014 536.1459 53.61963 553.0741 36.47956 -16.92816      64.85232 
1 1 1 -16 1  8  o 289.9524 20.80891 7335.450       1023.482 7583.448       1448.195 7087.981       1446.650 291.7734 29.46948 281.5450 30.58117 10.22839       42.46950 
1 1 1 -16 1  9  o 245.9225 18.73099 5265.470       780.6974 5354.459       1102.344 5175.921       1105.810 245.6073 26.71374 241.2218 27.32701 4.385468       38.21503 
1 1 1 -16 1  10 o 380.1411 25.59617 12726.75       1651.909 12185.32       2333.897 13270.29       2338.413 365.3766 37.95990 382.5009 36.23229 -17.12427      52.47602 
1 1 1 -16 1  11 o 287.6646 30.26718 7418.647       1464.522 7418.647       1464.522 0.000000       0.000000 287.6646 30.26718 ?        ?        0.000000       30.26718 
1 1 1 -16 1  12 o 213.1633 24.89609 4040.874       889.1719 4040.874       889.1719 0.000000       0.000000 213.1633 24.89609 ?        ?        0.000000       24.89609 
1 1 1 -16 1  13 o 401.6526 40.74034 15053.73       2755.658 15053.73       2755.658 0.000000       0.000000 401.6526 40.74034 ?        ?        0.000000       40.74034 
1 1 1 -16 1  14 o 111.0339 19.31201 1104.149       352.8756 0.000000       0.000000 1104.149       352.8756 ?        ?        111.0339 19.31201 0.000000       19.31201 
1 1 1 -16 1  15 o 140.3371 20.57898 1760.848       478.5205 0.000000       0.000000 1760.848       478.5205 ?        ?        140.3371 20.57898 0.000000       20.57898 
1 1 1 -16 1  16 o 271.5446 8.955394 6332.995       415.2674 6416.178       1212.492 6321.941       441.9989 265.8981 27.08109 271.1995 9.543999 -5.301422      28.71365 
1 1 1 -16 1  17 o 265.5701 8.499128 6058.571       385.4389 6190.750       1195.142 6043.227       407.1963 260.0461 27.32181 265.1375 8.993542 -5.091400      28.76395 
1 1 1 -16 1  18 o 95.97681 10.78717 805.2112       173.7346 808.3338       309.5833 803.7758       209.9035 93.83182 19.93581 95.33608 13.25154 -1.504265      23.93825 
1 1 1 -16 1  19 o 163.9588 6.375403 2306.083       178.5025 2240.472       263.0344 2362.095       243.0318 160.8525 9.620090 165.3966 8.634627 -4.544144      12.92683 
1 1 1 -16 1  20 o 163.4588 6.030986 2292.346       168.3444 2177.925       243.5244 2397.070       232.9756 158.6065 9.028583 166.8150 8.178494 -8.208527      12.18208 
1 1 1 -16 1  21 o 122.4866 6.104705 1288.099       127.6895 1552.642       193.3569 1083.507       170.0419 133.8706 8.502194 111.6311 8.996448 22.23946       12.37834 
1 1 1 -16 1  22 o 193.4311 5.384834 3210.262       177.8691 3134.225       287.6729 3257.321       226.3139 190.3412 8.850426 194.5602 6.811700 -4.218903      11.16823 
1 1 1 -16 1  23 o 103.8189 7.303871 933.9327       128.6638 1131.362       182.2642 737.8243       181.6535 113.7858 9.466095 91.02631 11.97704 22.75951       15.26618 
1 1 1 -16 1  24 o 165.3589 5.897024 2351.563       166.5185 2296.928       234.1099 2407.509       236.9003 162.6001 8.460565 166.7222 8.320896 -4.122070      11.86670 
1 1 1 -16 1  25 o 116.5469 11.48481 1204.979       225.6030 1174.851       272.1274 1271.198       403.4408 113.9154 14.30447 114.8486 21.35692 -0.9331894     25.70478 
1 1 1 -16 1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1  27 o 52.39389 15.63229 253.7935       150.4753 252.6394       208.1313 255.0574       217.8068 53.68460 18.60655 54.17212 19.01945 -0.4875183     26.60720 
1 1 1 -16 1  28 o 231.8064 9.024732 4694.381       357.2412 4694.381       357.2412 0.000000       0.000000 231.8064 9.024732 ?        ?        0.000000       9.024732 
1 1 1 -16 1  29 o 78.63085 10.38255 556.2068       136.0020 496.4613       195.3385 612.4151       189.4676 71.73904 16.31389 80.89741 14.23488 -9.158371      21.65121 
1 1 1 -16 1  30 o 126.2619 6.000154 1383.640       129.3709 1335.110       168.6588 1453.010       201.6445 122.9812 8.075855 127.6383 9.315642 -4.657097      12.32885 
1 1 1 -16 1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1  32 o 81.72736 7.294158 595.0197       100.7294 447.8869       130.9650 808.1216       157.6138 68.67400 11.57952 93.73463 10.00115 -25.06064      15.30060 
1 1 1 -16 1  33 o 43.61998 11.22056 185.5526       84.05714 78.61054       120.0795 288.3080       117.7055 33.86581 13.59877 53.59285 12.99555 -19.72704      18.80986 
1 1 1 -16 1  34 o 30.68740 11.75018 75.16154       86.08270 105.1946       113.0271 33.67856       132.8366 34.96522 13.44610 31.39285 13.55801 3.572363       19.09496 
1 1 1 -16 1  35 o 32.70026 11.69038 101.7863       82.62592 40.92010       116.0732 164.3111       117.6441 29.81804 12.77278 39.42545 13.96481 -9.607412      18.92511 
1 1 1 -16 1  36 o 26.86630 11.81660 14.98288       104.8811 -6.413187      117.5018 98.84074       232.6214 26.85752 12.11078 37.82663 17.05018 -10.96911      20.91362 
1 1 1 -16 1  37 o 26.46275 11.97205 -0.9357443E-01 115.9242 -36.00246      129.1236 149.0983       263.1948 25.95503 12.06564 38.48635 17.65128 -12.53132      21.38100 
1 1 1 -16 2  1  o 436.9706 7.634254 16349.21       569.6667 16800.22       801.9367 15889.80       809.3755 442.3776 10.61561 430.1342 11.01905 12.24338       15.30068 
1 1 1 -16 2  2  o 102.3709 9.663329 906.4217       166.9310 938.6432       238.5184 875.4869       233.7073 103.5138 13.83993 99.86046 14.09698 3.653328       19.75521 
1 1 1 -16 2  3  o 254.3192 15.27598 5596.171       660.3466 4782.081       1142.722 6004.319       809.1216 230.7339 29.69085 262.7668 18.14303 -32.03296      34.79535 
1 1 1 -16 2  4  o 380.7786 9.784116 12427.98       636.2034 12393.54       690.6882 12620.75       1634.267 380.1164 10.64054 378.7477 25.41533 1.368744       27.55286 
1 1 1 -16 2  5  o 255.5479 7.032637 5586.913       306.8969 5670.078       337.3862 5188.160       738.7672 257.3945 7.675844 244.3331 17.82919 13.06139       19.41130 
1 1 1 -16 2  6  o 265.3147 7.286975 6022.916       330.1494 6236.256       366.4489 5103.293       760.8206 269.9188 7.950206 242.1548 18.53955 27.76405       20.17227 
1 1 1 -16 2  7  o 422.0395 22.83158 15566.01       1639.355 16022.37       2839.495 15337.84       2007.773 418.3604 40.24202 416.3228 28.41085 2.037659       49.26050 
1 1 1 -16 2  8  f 326.8423 18.36555 9273.467       1020.894 8953.605       1764.236 9434.489       1251.757 315.3365 33.26473 328.3553 22.45893 -13.01886      40.13659 
1 1 1 -16 2  9  o 185.3639 23.04234 3041.130       713.6415 3041.130       713.6415 0.000000       0.000000 185.3639 23.04234 ?        ?        0.000000       23.04234 
1 1 1 -16 2  10 o 133.0918 20.82335 1575.434       457.7510 1575.434       457.7510 0.000000       0.000000 133.0918 20.82335 ?        ?        0.000000       20.82335 
1 1 1 -16 2  11 o 397.5624 39.96215 14587.26       2676.296 14587.26       2676.296 0.000000       0.000000 397.5624 39.96215 ?        ?        0.000000       39.96215 
1 1 1 -16 2  12 o 325.5847 33.59155 9634.539       1840.819 9634.539       1840.819 0.000000       0.000000 325.5847 33.59155 ?        ?        0.000000       33.59155 
1 1 1 -16 2  13 o 217.5627 17.59032 4134.284       647.9308 3975.864       920.7687 4289.673       911.9204 210.5001 26.18071 219.2845 24.78791 -8.784393      36.05371 
1 1 1 -16 2  14 o 165.8358 21.87583 2453.604       604.3842 0.000000       0.000000 2453.604       604.3842 ?        ?        165.8358 21.87583 0.000000       21.87583 
1 1 1 -16 2  15 o 192.2525 8.038588 3169.686       263.9087 2758.459       701.2726 3237.534       284.8490 174.8789 24.12500 194.2393 8.587674 -19.36047      25.60789 
1 1 1 -16 2  16 o 96.98075 11.27976 821.5143       183.3150 0.000000       0.000000 821.5143       183.3150 ?        ?        96.98075 11.27976 0.000000       11.27976 
1 1 1 -16 2  17 o 63.24923 12.26984 357.5722       127.7430 366.0070       219.5188 353.2534       157.0783 63.88734 18.83735 62.48467 14.92590 1.402672       24.03390 
1 1 1 -16 2  18 o 63.35991 11.53294 357.8842       120.1862 468.4869       204.2530 299.3087       148.6429 71.63270 16.96010 57.48920 14.98734 14.14350       22.63328 
1 1 1 -16 2  19 o 111.6564 8.705515 1080.480       164.6775 1070.173       353.4849 1083.338       186.1071 107.9233 19.91387 111.5697 9.870034 -3.646461      22.22566 
1 1 1 -16 2  20 o 163.4660 7.613886 2299.557       212.5376 2012.205       533.0272 2353.881       231.7584 147.5347 21.81476 165.2799 8.211328 -17.74527      23.30901 
1 1 1 -16 2  21 o 126.0666 6.719196 1370.083       144.1284 1284.333       235.7484 1421.262       182.1301 120.9066 11.55903 128.0726 8.373769 -7.165993      14.27344 
1 1 1 -16 2  22 o 68.57780 7.976078 411.2552       91.66123 330.0140       121.9955 516.5723       138.9008 60.36280 12.25364 76.25800 10.98318 -15.89520      16.45546 
1 1 1 -16 2  23 o 162.3698 5.434826 2263.810       150.6929 2199.409       236.4270 2307.874       195.5647 159.1055 8.735249 163.6388 6.998455 -4.533340      11.19299 
1 1 1 -16 2  24 o 222.8903 7.748358 4295.738       294.9191 4669.760       694.3459 4213.409       325.7645 225.5260 18.18377 220.4017 8.655395 5.124237       20.13866 
1 1 1 -16 2  25 f 57.66955 13.99131 307.9546       136.3809 306.2051       157.2668 313.2602       273.8739 57.32222 15.63398 59.95634 21.29964 -2.634121      26.42150 
1 1 1 -16 2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2  27 o 187.1248 6.101465 3018.906       194.9699 2836.931       267.6002 3224.805       284.6467 180.5065 8.681435 192.4599 8.660921 -11.95331      12.26291 
1 1 1 -16 2  28 o 151.0655 5.793630 1967.592       149.4576 1991.510       192.5686 1931.359       237.0173 151.5038 7.443207 148.2197 9.413052 3.284058       12.00029 
1 1 1 -16 2  29 o 41.32933 13.74475 151.2667       113.4312 85.38802       153.0250 231.6115       168.9930 38.50301 15.38997 50.14103 16.77908 -11.63802      22.76815 
1 1 1 -16 2  30 o 58.33229 15.51599 335.1406       157.2493 335.1406       157.2493 0.000000       0.000000 58.33229 15.51599 ?        ?        0.000000       15.51599 
1 1 1 -16 2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2  32 o 29.68921 11.73780 55.94455       88.10527 64.00102       112.2601 43.02279       142.1719 32.52169 13.11696 33.65314 14.26679 -1.131447      19.38030 
1 1 1 -16 2  33 o 29.39453 11.48722 60.32754       83.52383 201.7389       112.8128 -111.2258      124.2556 44.65081 13.58378 24.08311 11.39601 20.56770       17.73099 
1 1 1 -16 2  34 o 34.40341 12.13520 111.2963       88.74773 165.9975       110.6767 12.77849       148.5304 40.34650 13.57843 31.46592 13.94015 8.880587       19.46025 
1 1 1 -16 2  35 o 27.22091 11.27441 42.05295       85.69421 -8.339468      106.8289 133.0001       143.5162 25.99982 11.65025 37.31807 14.90847 -11.31825      18.92064 
1 1 1 -16 2  36 o 76.70175 9.117004 566.8008       117.0762 442.2587       134.7008 951.4963       236.7394 64.37682 12.70401 90.29684 15.93566 -25.92003      20.37982 
1 1 1 -16 2  37 o 41.31553 13.90637 203.2844       116.0875 118.3449       135.3819 439.2035       225.6250 34.38245 14.20006 52.30652 19.23060 -17.92406      23.90518 
1 1 1 -16 3  1  o 354.9515 7.240809 10787.17       438.8924 11177.62       604.8906 10353.09       637.7905 360.9025 9.814880 347.1599 10.75837 13.74261       14.56278 
1 1 1 -16 3  2  o 183.3935 6.324320 2877.322       198.0614 2878.741       218.2691 2870.702       471.3188 183.4004 6.969313 181.6957 15.33362 1.704697       16.84313 
1 1 1 -16 3  3  o 128.3678 11.48630 1426.583       249.1286 1394.178       433.4738 1442.565       304.4294 124.9064 21.07234 128.6500 14.08746 -3.743561      25.34758 
1 1 1 -16 3  4  o 306.8669 7.920617 8062.450       415.0600 8163.799       452.9015 7530.862       1037.242 308.7147 8.591015 293.5060 20.83009 15.20877       22.53216 
1 1 1 -16 3  5  o 481.7211 10.89638 19914.30       896.3543 20172.09       971.2374 18433.28       2327.942 484.6329 11.73574 454.9982 30.13186 29.63477       32.33661 
1 1 1 -16 3  6  o 84.62502 8.300914 619.0884       118.4130 500.2740       135.6401 999.7441       242.7837 75.60450 10.81411 106.9512 13.60092 -31.34671      17.37613 
1 1 1 -16 3  7  o 354.9663 8.499990 10791.38       515.2376 11039.58       561.5287 9469.469       1295.895 358.9366 9.161200 328.5087 23.25068 30.42786       24.99043 
1 1 1 -16 3  8  f 334.1732 8.701262 9566.048       496.5419 9670.595       520.5863 8512.061       1652.927 335.9464 9.074460 307.6125 31.93171 28.33392       33.19609 
1 1 1 -16 3  9  o 51.77728 15.17097 235.2756       142.7802 258.3362       187.9777 203.8283       219.5140 55.20797 17.64896 52.81831 19.03639 2.389660       25.95901 
1 1 1 -16 3  10 o 690.7236 77.98396 52392.44       9037.329 52392.44       9037.329 0.000000       0.000000 690.7236 77.98396 ?        ?        0.000000       77.98396 
1 1 1 -16 3  11 o 81.78795 12.99942 589.8022       175.4826 778.0156       258.4477 428.8106       239.0282 93.43459 16.81646 69.24783 19.42498 24.18676       25.69286 
1 1 1 -16 3  12 o 271.1896 29.09381 6628.043       1326.287 0.000000       0.000000 6628.043       1326.287 ?        ?        271.1896 29.09381 0.000000       29.09381 
1 1 1 -16 3  13 o 481.7046 31.09089 21013.85       2543.848 22999.69       3600.310 19034.10       3594.787 491.1562 43.37136 440.9008 48.54989 50.25543       65.10120 
1 1 1 -16 3  14 o 277.0703 8.762013 6587.660       414.5680 6957.050       1286.522 6544.858       437.9278 277.4933 27.51217 276.0832 9.288823 1.410156       29.03794 
1 1 1 -16 3  15 o 497.5367 12.56347 21381.08       1067.423 21827.45       3710.979 21340.82       1114.524 467.6785 47.10776 496.8021 13.13724 -29.12360      48.90530 
1 1 1 -16 3  16 o 268.3998 8.384621 6186.816       384.2975 5157.507       1091.337 6332.515       410.5964 237.1782 27.45272 271.4503 8.857739 -34.27211      28.84634 
1 1 1 -16 3  17 o 207.0195 8.512771 3684.765       300.9429 4720.978       885.7580 3549.540       319.9774 228.4171 23.02221 203.0625 9.227577 25.35466       24.80263 
1 1 1 -16 3  18 o 287.2864 8.734666 7106.696       428.5123 6626.920       1381.634 7157.759       450.7392 263.3586 31.33677 288.1963 9.158726 -24.83771      32.64775 
1 1 1 -16 3  19 o 272.3358 8.681602 6393.430       403.7445 6713.482       1283.740 6358.297       425.3276 265.6980 28.75210 271.4353 9.176042 -5.737244      30.18084 
1 1 1 -16 3  20 o 142.4480 6.499849 1742.957       158.1108 1932.697       232.0564 1578.551       216.0098 149.2951 9.146288 134.7997 9.443521 14.49538       13.14666 
1 1 1 -16 3  21 o 107.2626 6.914537 993.8279       125.9776 857.2943       220.5350 1059.960       153.4842 97.94155 13.54871 110.5376 8.189406 -12.59602      15.83142 
1 1 1 -16 3  22 o 154.0856 7.205264 2046.058       189.5893 2095.260       542.7736 2039.221       202.3340 149.1640 21.96616 153.5303 7.742369 -4.366287      23.29069 
1 1 1 -16 3  23 o 69.48743 8.247181 423.4340       95.95142 433.1644       158.2381 417.7757       120.6663 68.77879 13.94984 68.42326 10.67567 0.3555298      17.56610 
1 1 1 -16 3  24 o 138.3088 6.295364 1647.375       148.6869 1475.686       223.3689 1783.978       199.2431 129.6456 10.17096 143.2873 8.176694 -13.64165      13.05016 
1 1 1 -16 3  25 o 40.74630 15.65795 108.8752       153.2026 175.7025       190.7631 -12.53073      257.1209 47.79034 17.66331 42.71444 18.65102 5.075901       25.68761 
1 1 1 -16 3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3  27 o 154.4943 5.807137 2056.490       153.2063 1883.017       198.3219 2313.233       241.2703 147.0620 7.926383 162.7220 8.714356 -15.66003      11.77996 
1 1 1 -16 3  28 o 142.3367 5.904550 1748.448       143.5178 1567.390       195.4612 1960.248       211.4047 133.7113 8.606048 149.7208 8.301074 -16.00957      11.95709 
1 1 1 -16 3  29 o 91.16905 8.039390 732.7471       123.8806 823.6288       167.4541 622.8801       184.1159 95.72078 10.41238 81.60423 13.69760 14.11655       17.20587 
1 1 1 -16 3  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3  31 o 40.07509 14.64406 139.4608       130.5504 139.4608       130.5504 0.000000       0.000000 40.07509 14.64406 ?        ?        0.000000       14.64406 
1 1 1 -16 3  32 o 66.56393 8.382287 402.8232       93.16746 340.6987       120.9768 493.3744       146.0555 59.09903 12.38357 71.39301 12.43180 -12.29397      17.54715 
1 1 1 -16 3  33 o 30.81450 11.61380 75.81338       83.26485 108.9205       109.6800 30.77765       127.9222 35.51970 13.34058 31.18510 13.38498 4.334602       18.89785 
1 1 1 -16 3  34 o 61.88533 9.146214 361.6193       93.74427 426.0439       115.3883 236.5410       160.7781 66.27182 10.54967 46.04654 16.32375 20.22528       19.43606 
1 1 1 -16 3  35 o 34.72269 12.06783 120.7999       87.58071 181.3991       108.1944 5.621922       149.1614 40.94930 13.41442 30.33047 13.66392 10.61883       19.14809 
1 1 1 -16 3  36 o 53.09766 12.63330 305.5730       112.8875 206.0366       123.0815 832.8878       283.2936 42.23985 14.31867 74.54758 21.23032 -32.30773      25.60763 
1 1 1 -16 3  37 o 27.39379 12.19789 20.94793       115.1530 41.62806       126.2972 -80.96494      280.3699 29.29904 12.92349 32.90292 15.96484 -3.603876      20.54003 
1 1 1 -16 4  1  o 163.7729 4.712095 2293.100       131.7826 2541.419       184.7561 2035.919       188.0242 172.3253 6.278385 154.1855 7.141151 18.13979       9.508636 
1 1 1 -16 4  2  o 236.7701 5.502321 4794.562       222.4717 4944.070       316.7370 4648.981       312.5496 240.2398 7.720617 232.9465 7.857074 7.293289       11.01551 
1 1 1 -16 4  3  o 153.3395 6.076835 2011.477       159.1231 2024.754       176.5474 1953.996       367.3339 153.8117 6.721557 149.7725 14.54586 4.039230       16.02377 
1 1 1 -16 4  4  o 103.1293 11.23417 924.4263       194.6445 917.6100       337.8102 927.8141       238.1519 100.9174 20.30543 102.8398 13.91859 -1.922440      24.61783 
1 1 1 -16 4  5  o 287.6406 7.379569 7082.929       362.4792 7194.516       395.3340 6494.060       908.1697 289.8323 7.987583 272.5912 19.64144 17.24115       21.20348 
1 1 1 -16 4  6  o 227.0345 6.828023 4410.802       264.7212 4431.729       290.2727 4307.387       645.2719 227.5228 7.471011 222.4297 17.11976 5.093124       18.67892 
1 1 1 -16 4  7  o 493.1290 12.84086 20926.31       1081.326 20763.73       1126.966 22812.47       3838.537 491.0268 13.44014 490.8624 46.34187 0.1643372      48.25149 
1 1 1 -16 4  8  o 148.4423 7.264603 1886.240       184.1499 1865.571       196.4898 2035.460       527.9565 147.3896 7.834906 151.4497 20.97725 -4.060074      22.39265 
1 1 1 -16 4  9  o 553.8262 10.74448 26340.41       1016.157 26800.27       1059.981 21121.54       3570.876 558.5275 11.11351 472.7253 44.76820 85.80219       46.12702 
1 1 1 -16 4  10 o 257.5690 6.521024 5677.155       286.8213 6021.280       320.0126 4271.609       646.7420 265.2090 7.066055 221.3044 17.24976 43.90456       18.64090 
1 1 1 -16 4  11 o 216.9479 25.07446 4209.192       911.8284 0.000000       0.000000 4209.192       911.8284 ?        ?        216.9479 25.07446 0.000000       25.07446 
1 1 1 -16 4  12 o 227.7578 16.32959 4522.808       630.8969 5389.479       898.7509 3680.867       885.8351 246.9253 21.52974 201.9466 26.31204 44.97870       33.99784 
1 1 1 -16 4  13 o 167.3349 8.751085 2409.408       249.1948 2817.359       627.8544 2333.128       271.4947 177.9217 21.07420 164.5096 9.707262 13.41216       23.20243 
1 1 1 -16 4  14 o 120.4603 9.055296 1253.319       184.9095 831.7607       405.1726 1364.216       207.8128 94.85405 24.75184 125.5929 9.766395 -30.73882      26.60895 
1 1 1 -16 4  15 o 200.8672 8.496085 3465.331       291.4271 3357.745       800.0641 3481.790       312.9252 192.1160 24.97790 201.2560 9.105204 -9.140076      26.58572 
1 1 1 -16 4  16 o 217.7419 8.732488 4076.886       324.6997 4461.937       888.6047 4017.552       348.8210 221.7369 23.84219 216.0203 9.455975 5.716660       25.64889 
1 1 1 -16 4  17 o 202.8534 7.768422 3536.060       269.1021 3271.905       772.1054 3572.584       287.1042 188.5205 24.56750 203.8154 8.248989 -15.29486      25.91540 
1 1 1 -16 4  18 o 217.8089 7.344715 4077.207       273.1823 4142.356       515.9095 4051.822       322.0349 217.2770 13.97878 216.8459 8.696606 0.4310303      16.46321 
1 1 1 -16 4  19 o 268.7074 7.186808 6208.306       329.7748 5617.067       673.0718 6395.070       378.2915 251.8426 15.72931 272.4531 8.130794 -20.61053      17.70653 
1 1 1 -16 4  20 o 45.89721 9.841842 189.2729       74.82240 140.7009       97.80848 257.8006       116.1760 40.30867 12.71438 53.24932 12.90998 -12.94065      18.11969 
1 1 1 -16 4  21 o 145.0025 7.351264 1816.276       181.4333 1899.661       362.9907 1788.507       209.4773 145.8093 14.78270 143.5856 8.582573 2.223755       17.09353 
1 1 1 -16 4  22 o 146.0719 6.043599 1834.313       150.7525 1770.956       226.2190 1884.927       202.1911 142.5639 9.343865 147.4716 8.059334 -4.907684      12.33940 
1 1 1 -16 4  23 o 31.22407 12.01909 58.88640       90.37228 138.1445       115.0935 -68.55333      145.9424 40.72359 13.84603 29.80860 13.46415 10.91500       19.31310 
1 1 1 -16 4  24 o 113.7334 12.15532 1152.653       232.4224 1272.505       274.0659 845.6925       438.6063 118.8891 13.75320 90.98490 26.57018 27.90417       29.91864 
1 1 1 -16 4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4  26 o 74.07066 7.506334 479.7105       93.63461 647.2352       141.5530 349.3833       124.8525 85.50058 9.876749 61.82711 12.25847 23.67347       15.74231 
1 1 1 -16 4  27 o 59.85430 9.854955 321.6437       97.22191 433.2272       138.9729 214.6913       136.0585 68.90137 12.26074 48.46115 14.94984 20.44022       19.33451 
1 1 1 -16 4  28 o 40.72944 12.87226 149.0327       100.2147 364.7006       144.5663 -50.47520      139.0448 62.26188 13.94367 29.47533 13.24355 32.78655       19.23064 
1 1 1 -16 4  29 o 26.87026 11.96382 -29.67600      110.7522 -185.3812      159.1783 116.4328       154.1951 26.42566 12.61558 40.41355 15.65932 -13.98789      20.10888 
1 1 1 -16 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4  31 o 105.1454 6.420477 971.8439       114.7290 820.0675       143.2179 1243.704       191.6761 95.29203 8.904334 116.9439 9.685344 -21.65191      13.15648 
1 1 1 -16 4  32 o 111.6352 7.298257 1111.534       138.3646 1111.534       138.3646 0.000000       0.000000 111.6352 7.298257 ?        ?        0.000000       7.298257 
1 1 1 -16 4  33 o 57.08305 10.38682 312.3046       97.51918 273.5036       120.5186 385.8870       165.9663 51.50799 13.52778 59.48963 15.99221 -7.981640      20.94640 
1 1 1 -16 4  34 o 58.50877 9.649282 328.8191       93.04773 308.5304       114.0567 369.1905       160.8902 54.65313 12.49331 56.82243 15.93583 -2.169300      20.24928 
1 1 1 -16 4  35 o 41.47984 12.25349 182.8361       92.80907 144.0427       103.5702 340.9563       209.0978 37.11112 13.10742 50.27065 18.50823 -13.15953      22.67948 
1 1 1 -16 4  36 o 27.45718 12.00556 26.65468       106.8633 -9.993900      115.2079 252.5036       285.9977 26.16808 11.87732 43.03649 19.18884 -16.86840      22.56729 
1 1 1 -16 5  1  o 67.68810 6.311676 395.6350       72.11423 468.2249       98.91144 313.2654       105.3639 73.46307 8.014560 59.44024 10.77715 14.02282       13.43057 
1 1 1 -16 5  2  o 66.52078 6.844165 382.9185       76.63695 399.1901       104.0805 363.6492       113.2628 67.57322 9.263551 64.18391 10.71127 3.389313       14.16138 
1 1 1 -16 5  3  o 87.79626 4.823011 661.0551       72.03251 716.0193       95.69174 589.1863       109.4220 91.26226 6.176549 82.54621 7.857383 8.716049       9.994410 
1 1 1 -16 5  4  f 264.7548 5.646962 5996.000       255.3058 5894.911       360.9197 6097.242       361.1942 262.2629 8.058828 266.7417 7.929539 -4.478821      11.30585 
1 1 1 -16 5  5  o 292.2430 16.93541 7433.958       841.5423 6621.657       1457.910 7839.844       1030.563 269.0426 32.38312 298.9100 20.31030 -29.86740      38.22532 
1 1 1 -16 5  6  o 319.7462 9.077254 8769.610       495.6348 8776.603       517.7245 8692.879       1715.074 319.8071 9.480009 308.3344 33.09052 11.47275       34.42169 
1 1 1 -16 5  7  o 257.6571 6.782445 5682.970       298.4217 5805.027       312.9011 4454.954       992.4922 260.3837 7.037060 222.6459 26.63281 37.73787       27.54681 
1 1 1 -16 5  8  o 427.2136 9.871089 15670.04       720.1318 15844.99       781.0536 14677.96       1859.899 429.3967 10.65173 405.4713 27.01598 23.92545       29.04002 
1 1 1 -16 5  9  o 193.3994 6.463548 3201.462       213.4656 3335.574       240.7416 2708.187       461.7021 197.3551 7.143333 176.2027 15.50209 21.15237       17.06875 
1 1 1 -16 5  10 o 477.9950 11.04586 19654.64       901.6227 19746.44       976.9482 19127.23       2341.592 478.8068 11.94839 459.9491 29.97641 18.85776       32.26995 
1 1 1 -16 5  11 o 102.8388 6.536006 909.1393       114.1854 1343.764       160.6669 465.5753       162.3108 124.9920 7.562961 72.25402 13.65514 52.73795       15.60965 
1 1 1 -16 5  12 f 236.9353 5.642534 4803.968       228.3000 4338.246       319.9833 5286.854       325.8259 224.8621 8.333149 248.3222 7.683660 -23.46008      11.33490 
1 1 1 -16 5  13 o 71.29825 11.17477 448.4045       131.5855 455.8044       251.4455 445.6137       154.4179 70.97616 19.92785 70.65604 13.28582 0.3201218      23.95062 
1 1 1 -16 5  14 o 165.7610 7.694964 2357.759       217.8166 1670.377       503.3647 2516.123       241.6083 135.4098 22.56256 171.1720 8.265653 -35.76221      24.02894 
1 1 1 -16 5  15 o 172.5734 7.466613 2556.266       220.0389 1596.543       539.6424 2747.649       240.9818 131.0549 25.02573 178.8623 7.889755 -47.80740      26.23995 
1 1 1 -16 5  16 o 126.3191 9.529346 1383.159       204.0445 1793.256       442.0810 1272.145       230.0098 141.1935 18.80262 120.7410 11.28643 20.45257       21.92993 
1 1 1 -16 5  17 o 41.12966 11.12014 151.4702       79.97443 165.0362       110.8677 136.7533       115.4748 43.53770 13.50571 40.93533 13.86918 2.602375       19.35868 
1 1 1 -16 5  18 o 294.7202 8.201665 7482.888       412.7755 7177.245       1011.779 7543.917       452.1114 280.9409 21.24667 295.6675 8.954472 -14.72659      23.05653 
1 1 1 -16 5  19 o 277.9010 7.679554 6651.159       364.4416 6564.998       755.3985 6677.298       416.0654 271.5630 16.36581 278.0866 8.761523 -6.523621      18.56351 
1 1 1 -16 5  20 o 184.9807 6.336833 2940.874       200.1707 2744.129       384.0789 3014.242       234.5423 176.4767 12.83259 187.0643 7.342236 -10.58760      14.78458 
1 1 1 -16 5  21 o 159.8444 5.617409 2193.991       153.3329 2002.518       229.4835 2348.415       206.0890 151.8157 8.890610 165.0496 7.312036 -13.23393      11.51125 
1 1 1 -16 5  22 o 174.5744 4.941645 2614.744       147.3174 2571.629       201.5875 2664.160       215.8160 172.7502 6.833501 175.7441 7.191193 -2.993927      9.920181 
1 1 1 -16 5  23 o 156.3692 5.055859 2099.286       135.0044 2170.446       178.7524 2004.798       205.9796 158.6909 6.596264 151.9917 7.963718 6.699127       10.34077 
1 1 1 -16 5  24 o 18.89383 9.045819 -113.3604      83.10244 -115.3034      87.13952 -93.83651      276.2243 19.48302 9.310302 41.28473 18.59695 -21.80171      20.79732 
1 1 1 -16 5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5  26 o 62.22340 11.82570 353.0315       121.0622 207.9465       236.4884 404.5541       140.9281 51.86619 19.56671 66.37157 12.89877 -14.50538      23.43575 
1 1 1 -16 5  27 o 50.30692 11.50854 232.9540       96.72270 138.3725       141.6040 315.6768       132.4296 41.89420 15.26012 58.14646 13.58247 -16.25226      20.42927 
1 1 1 -16 5  28 o 132.3900 5.344319 1512.422       120.8229 1539.008       169.0857 1484.685       172.7108 132.6789 7.493475 130.1804 7.805147 2.498459       10.82000 
1 1 1 -16 5  29 o 73.74139 9.557862 491.3928       117.5264 504.7852       134.5691 448.3375       241.2840 74.13744 10.95968 65.44385 19.85604 8.693596       22.67988 
1 1 1 -16 5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 5  31 f 21.38009 9.869287 -54.89621      84.15284 -19.21096      97.95227 -155.4603      164.4340 25.34560 11.27013 27.29837 12.97296 -1.952765      17.18468 
1 1 1 -16 5  32 o 103.4635 6.963839 954.0519       122.3217 1024.516       158.3984 849.9462       192.5324 105.9037 8.839456 93.59547 12.34755 12.30818       15.18546 
1 1 1 -16 5  33 o 36.75204 12.64547 131.0689       96.04916 49.04234       119.6090 280.0061       161.1714 31.26370 13.16041 50.03467 16.37156 -18.77097      21.00534 
1 1 1 -16 5  34 o 23.08294 10.54707 -33.29698      92.78603 -103.1112      116.6725 86.83494       153.0473 22.88563 10.89094 34.98095 14.81452 -12.09532      18.38702 
1 1 1 -16 5  35 o 18.17354 8.789330 -108.6335      83.23320 -81.86546      88.10603 -330.7454      253.7950 19.93964 9.481778 28.40557 14.06093 -8.465933      16.95918 
1 1 1 -16 5  36 o 50.67368 13.09333 290.6777       114.1119 285.7890       123.7342 318.4928       295.1440 49.19757 14.03773 44.41470 19.66498 4.782867       24.16132 
1 1 1 -16 6  1  o 166.9904 4.684679 2385.184       133.5898 2313.656       184.8797 2463.333       193.2469 164.3258 6.588426 169.5501 6.674406 -5.224289      9.378436 
1 1 1 -16 6  2  o 217.0794 5.063779 4031.330       187.7134 4094.048       265.7841 3968.912       265.1507 218.5552 7.121408 215.1782 7.215932 3.376999       10.13825 
1 1 1 -16 6  3  o 323.9313 6.631777 8987.555       366.8468 9135.281       513.2329 8833.240       524.5518 326.1069 9.216216 320.5923 9.581495 5.514557       13.29450 
1 1 1 -16 6  4  o 71.30740 5.562918 437.7019       67.20321 449.7812       87.91866 420.7252       104.2287 72.09151 7.239387 69.43261 9.002586 2.658905       11.55229 
1 1 1 -16 6  5  o 293.8081 6.178490 7389.437       309.9902 8101.750       433.9227 6647.000       443.0031 307.3327 8.268023 278.2034 9.324861 29.12930       12.46247 
1 1 1 -16 6  6  o 130.2202 14.31618 1484.493       313.0962 1446.085       448.6152 1520.967       437.1762 126.6040 21.52056 130.2727 20.31439 -3.668678      29.59406 
1 1 1 -16 6  7  o 155.2675 6.866253 2064.896       182.0548 2058.852       205.2510 2087.196       394.2321 154.7769 7.790569 154.4653 15.14044 0.3116608      17.02721 
1 1 1 -16 6  8  o 268.6378 8.138161 6189.490       373.3321 6184.368       390.6197 6243.548       1268.963 268.4688 8.520369 261.7999 28.86403 6.668915       30.09533 
1 1 1 -16 6  9  o 130.7989 7.052996 1470.069       156.9537 1400.704       176.1980 1736.593       345.3825 127.5315 8.133013 140.8540 14.56978 -13.32249      16.68605 
1 1 1 -16 6  10 o 340.5641 9.590680 9969.544       557.7636 9631.302       1934.598 10000.21       582.4981 319.5775 36.08148 340.9875 10.00355 -21.41003      37.44255 
1 1 1 -16 6  11 o 228.2915 6.057425 4462.531       236.1455 5020.065       325.6646 3844.336       342.9237 241.8956 7.883891 211.4541 9.496847 30.44144       12.34285 
1 1 1 -16 6  12 o 85.25905 7.238444 627.7991       104.3910 616.5471       129.1319 649.0226       177.3474 84.20081 9.126921 85.77164 12.47370 -1.570839      15.45619 
1 1 1 -16 6  13 o 420.8456 7.886813 15207.79       566.7952 16068.73       797.5457 14329.26       805.6547 431.5237 10.82303 407.1851 11.58658 24.33865       15.85518 
1 1 1 -16 6  14 o 130.3563 6.829158 1461.597       151.4913 2277.585       229.0341 826.9470       201.9879 162.5619 8.277877 96.89682 12.49850 65.66507       14.99119 
1 1 1 -16 6  15 o 276.3816 8.086600 6569.407       381.6603 5933.067       1156.408 6647.194       404.3152 252.3083 27.27366 277.9031 8.519710 -25.59477      28.57338 
1 1 1 -16 6  16 o 208.9851 7.297582 3753.443       260.4331 3305.112       551.5034 3882.112       295.4503 192.7261 16.92894 212.3673 8.146947 -19.64116      18.78728 
1 1 1 -16 6  17 o 203.7735 7.343608 3571.031       255.5401 3426.182       547.1396 3611.442       288.9966 196.1615 16.48652 204.7272 8.266376 -8.565796      18.44284 
1 1 1 -16 6  18 o 118.2188 8.009327 1209.831       160.7364 1310.060       285.4413 1163.290       194.5070 121.4001 14.02705 115.4795 9.960898 5.920547       17.20400 
1 1 1 -16 6  19 o 60.77853 9.198179 326.6197       92.48226 254.5759       148.5318 372.2338       118.1873 53.00230 15.45742 64.51755 11.12938 -11.51524      19.04717 
1 1 1 -16 6  20 o 277.9451 7.883543 6668.975       374.1816 6869.473       785.5537 6610.134       425.5606 276.4324 16.71988 276.2499 9.021056 0.1825256      18.99826 
1 1 1 -16 6  21 o 174.2516 5.647986 2608.619       168.0631 2700.020       236.9297 2516.056       238.4316 176.7715 7.848840 170.5545 8.186510 6.216980       11.34122 
1 1 1 -16 6  22 o 57.00901 7.741576 285.9402       73.41655 254.7352       97.04528 327.6986       112.2625 53.00359 11.07854 60.22618 11.33146 -7.222599      15.84728 
1 1 1 -16 6  23 o 188.8365 12.28625 3161.003       394.0370 3245.821       452.7721 2896.228       799.9728 190.3118 14.03091 167.6914 28.98437 22.62039       32.20187 
1 1 1 -16 6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 6  25 o 70.25427 9.385642 437.9005       109.7847 608.2763       167.3388 309.1519       145.4668 82.03386 12.32658 57.53124 14.74021 24.50262       19.21506 
1 1 1 -16 6  26 o 129.9486 5.659985 1454.710       125.5998 1503.429       181.7186 1410.147       173.7960 131.2474 8.148128 127.1296 8.047065 4.117828       11.45195 
1 1 1 -16 6  27 o 60.18647 10.38691 328.6581       102.8969 113.0405       228.3416 383.5990       115.2632 45.52136 18.57959 65.00502 10.75984 -19.48366      21.47034 
1 1 1 -16 6  28 o 67.61071 11.72827 422.9965       130.5009 316.0745       277.3537 453.3988       147.8951 57.64540 21.29967 69.51137 12.93541 -11.86597      24.91989 
1 1 1 -16 6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 6  30 o 87.69418 7.091908 681.1159       105.2936 686.4236       138.4965 673.8461       162.0859 86.83302 9.494840 84.85228 11.48095 1.980743       14.89846 
1 1 1 -16 6  31 o 26.86711 11.24518 25.42863       86.53351 -14.70740      113.2827 81.65775       134.0841 27.35564 12.14402 35.30528 14.30174 -7.949640      18.76212 
1 1 1 -16 6  32 o 115.7885 6.062068 1184.814       119.4471 1358.992       160.2590 967.1170       179.1651 122.7942 7.681245 101.2047 10.52071 21.58955       13.02639 
1 1 1 -16 6  33 o 78.18411 6.936967 552.9080       91.65494 569.9052       115.5276 524.0391       150.5617 78.08253 8.818761 71.64618 12.77452 6.436356       15.52285 
1 1 1 -16 6  34 o 25.29291 10.49568 33.26411       74.46679 47.18282       91.66656 6.252838       127.6979 28.07826 11.64764 28.63821 12.79167 -0.5599499     17.30013 
1 1 1 -16 6  35 o 26.94932 11.52176 33.58931       94.12282 33.58931       94.12282 0.000000       0.000000 26.94932 11.52176 ?        ?        0.000000       11.52176 
1 1 1 -16 6  36 o 28.19801 11.97904 51.14466       100.5728 89.24677       106.8022 -247.1954      298.8556 31.32270 12.73670 30.77570 15.23844 0.5470009      19.86035 
1 1 1 -16 7  1  o 37.84918 8.591516 128.0552       54.25990 145.5444       67.28951 95.54322       91.74540 40.30530 9.858057 35.23896 12.34554 5.066341       15.79853 
1 1 1 -16 7  2  o 208.5297 5.024883 3721.426       178.9352 3875.892       252.3780 3565.298       253.7325 212.5897 6.951963 203.8493 7.288949 8.740311       10.07266 
1 1 1 -16 7  3  o 214.3730 5.192283 3933.097       190.0773 3860.262       267.9532 4006.871       269.6750 212.1221 7.397264 216.1252 7.306904 -4.003052      10.39761 
1 1 1 -16 7  4  o 165.9520 5.254441 2356.942       148.9056 2318.250       199.9312 2405.139       223.1446 164.4243 7.120535 167.4053 7.805762 -2.980988      10.56560 
1 1 1 -16 7  5  o 78.68053 5.327775 532.2318       71.16195 537.5271       99.74532 526.7426       101.5555 78.80878 7.502212 77.97459 7.728707 0.8341827      10.77108 
1 1 1 -16 7  6  o 179.5633 4.839189 2758.274       148.3857 2713.541       197.3724 2816.427       225.0368 177.9653 6.494552 181.2288 7.271507 -3.263565      9.749565 
1 1 1 -16 7  7  o 405.0819 22.33214 14621.19       1538.842 14223.96       2670.802 14818.59       1882.771 380.5360 41.78819 403.5361 27.48575 -23.00006      50.01719 
1 1 1 -16 7  8  o 245.0020 5.774131 5139.438       241.5785 5544.154       327.9629 4659.365       357.1927 254.2154 7.554763 232.8212 8.984175 21.39424       11.73839 
1 1 1 -16 7  9  o 289.3319 6.419470 7172.999       317.1739 7069.857       442.6332 7281.848       454.7140 286.7471 9.039470 290.9893 9.150805 -4.242157      12.86271 
1 1 1 -16 7  10 o 422.5891 7.807209 15331.41       563.3988 17265.94       805.7156 13480.51       788.1085 447.4546 10.54462 394.9272 11.68603 52.52747       15.74015 
1 1 1 -16 7  11 o 68.13994 7.788395 403.8232       88.99773 497.6936       117.2313 276.1288       136.7304 75.48439 9.290729 55.30803 14.35268 20.17636       17.09728 
1 1 1 -16 7  12 o 202.3498 5.882893 3508.324       203.2805 3741.968       270.1245 3203.218       308.6825 208.7386 7.578085 192.8324 9.374107 15.90611       12.05410 
1 1 1 -16 7  13 o 113.7348 6.226814 1112.445       120.4783 1053.878       156.1955 1198.469       189.3017 110.3707 8.349051 117.5209 9.514376 -7.150230      12.65820 
1 1 1 -16 7  14 o 41.72108 12.67872 152.4116       98.31955 253.5985       134.2780 35.46202       144.3583 52.98120 14.44460 35.51553 14.66526 17.46566       20.58437 
1 1 1 -16 7  15 o 111.8931 6.287642 1077.746       119.6545 1019.680       156.5539 1159.315       185.5517 108.4536 8.521770 115.4843 9.492966 -7.030701      12.75684 
1 1 1 -16 7  16 o 92.44271 7.150801 739.0976       112.0052 653.0016       155.8249 831.1279       161.1057 86.11382 10.83646 97.54597 9.804389 -11.43215      14.61352 
1 1 1 -16 7  17 o 176.6540 6.645809 2682.080       200.4810 2345.045       426.3267 2777.771       227.1657 162.1472 15.58895 179.6357 7.405394 -17.48848      17.25849 
1 1 1 -16 7  18 o 86.65639 8.913464 656.1385       130.0205 759.6777       220.0560 600.6053       161.1598 91.73461 14.53177 82.14514 11.82991 9.589470       18.73817 
1 1 1 -16 7  19 o 66.75996 8.280796 390.8478       92.37717 295.3812       135.2249 474.3844       126.4938 56.74215 14.03371 73.14473 10.42181 -16.40258      17.48025 
1 1 1 -16 7  20 o 194.3804 5.660849 3246.062       187.9039 3081.641       277.6084 3385.084       255.2676 188.6303 8.618253 198.0257 7.548704 -9.395340      11.45675 
1 1 1 -16 7  21 o 87.44428 6.303363 661.6300       93.49398 715.4151       134.4265 611.2361       130.1196 90.39525 8.820776 83.37117 9.297931 7.024078       12.81630 
1 1 1 -16 7  22 o 126.5074 10.62744 1410.135       227.4593 1433.110       258.9283 1332.476       476.0476 126.9735 12.08755 115.5227 24.86746 11.45077       27.64958 
1 1 1 -16 7  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 7  24 o 176.7647 5.355199 2686.816       161.6490 2797.375       222.2936 2562.741       235.4892 179.8410 7.238294 171.8821 8.023026 7.958908       10.80564 
1 1 1 -16 7  25 o 96.11771 6.877524 802.8253       112.1394 761.5390       178.7897 829.6005       143.9813 92.12760 11.62319 97.19475 8.769281 -5.067146      14.56018 
1 1 1 -16 7  26 o 51.81363 12.68694 250.0388       111.3556 60.48629       163.6311 413.5487       151.9754 38.01543 15.64626 66.51325 13.83111 -28.49782      20.88313 
1 1 1 -16 7  27 o 32.21030 12.94987 53.07706       109.0388 -36.74615      143.4202 176.1142       167.8549 30.46030 13.58447 45.61279 16.61452 -15.15249      21.46113 
1 1 1 -16 7  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 7  29 o 21.97801 10.24112 -74.49998      93.91047 -80.75179      137.8767 -69.08962      128.2628 27.36814 12.63318 26.75406 12.28948 0.6140785      17.62466 
1 1 1 -16 7  30 o 83.66534 10.18684 648.2531       142.5374 761.7316       279.6513 608.4256       165.6729 82.27571 20.08053 79.42867 12.63782 2.847046       23.72640 
1 1 1 -16 7  31 o 126.0796 5.763649 1394.400       124.0921 1482.461       160.9737 1265.421       194.8147 128.7488 7.352159 116.8371 9.856268 11.91165       12.29635 
1 1 1 -16 7  32 o 30.53642 11.75752 73.35674       86.49958 97.44373       113.7026 40.26456       133.2728 34.35979 13.40967 31.79650 13.65512 2.563292       19.13848 
1 1 1 -16 7  33 f 65.92180 8.797231 410.8641       96.56098 387.4377       116.9644 461.0007       171.1113 61.99540 11.47071 63.39579 15.84855 -1.400383      19.56409 
1 1 1 -16 7  34 o 40.71558 12.01502 175.6400       89.27350 114.4983       99.78555 420.8267       199.8240 34.15255 12.74468 56.17886 18.22162 -22.02632      22.23633 
1 1 1 -16 7  35 o 22.63990 10.41521 -31.06113      92.59397 -74.73231      100.0128 230.9688       244.9818 21.50297 10.18927 41.69510 18.20570 -20.19213      20.86309 
1 1 1 -16 8  1  o 157.6357 4.783288 2127.076       128.7606 1996.684       180.7883 2261.306       183.4304 152.5141 6.941583 162.3456 6.616506 -9.831558      9.589772 
1 1 1 -16 8  2  o 161.5258 4.692537 2232.986       129.4350 2132.112       179.0928 2343.292       187.2788 157.6467 6.652599 165.2717 6.635724 -7.624939      9.396271 
1 1 1 -16 8  3  o 197.2749 4.386931 3329.629       147.7865 3155.839       206.7999 3511.022       211.2753 191.8499 6.312290 202.3845 6.113213 -10.53462      8.787285 
1 1 1 -16 8  4  o 125.0617 5.375497 1339.415       114.8008 1325.612       157.0307 1355.262       168.2555 124.0265 7.448786 125.3394 7.901477 -1.312889      10.85899 
1 1 1 -16 8  5  o 89.67963 5.074676 690.6708       77.39611 657.8965       97.03606 747.9775       128.3124 87.34618 6.553370 92.93053 8.168468 -5.584358      10.47237 
1 1 1 -16 8  6  o 168.5431 4.998502 2431.588       143.8642 2584.030       193.9417 2245.078       214.5206 173.5901 6.542511 161.6619 7.770685 11.92812       10.15815 
1 1 1 -16 8  7  o 90.32347 4.656603 699.9651       71.57996 703.4753       98.23316 695.9914       104.5176 90.35634 6.408017 89.81109 6.866906 0.5452499      9.392394 
1 1 1 -16 8  8  o 286.3359 9.082757 7060.098       444.1150 7068.763       1476.888 7059.236       465.6681 272.0378 32.43115 286.1969 9.528173 -14.15915      33.80186 
1 1 1 -16 8  9  o 300.1714 6.057540 7723.231       310.5043 7873.961       427.0081 7554.099       452.3234 302.5814 8.264033 296.1895 8.942881 6.391846       12.17659 
1 1 1 -16 8  10 o 140.2578 5.242964 1684.773       125.5758 1726.654       154.8213 1604.236       214.6940 141.8863 6.389816 136.1171 9.291978 5.769211       11.27699 
1 1 1 -16 8  11 o 200.5563 5.730464 3447.379       196.2583 3972.213       266.1106 2821.473       290.6067 215.0388 7.246751 180.6124 9.455160 34.42648       11.91283 
1 1 1 -16 8  12 o 256.3532 6.106095 5636.521       267.3033 5231.584       372.6316 6065.776       383.6574 246.3610 8.857391 265.3846 8.465759 -19.02365      12.25245 
1 1 1 -16 8  13 o 178.6205 5.394970 2734.324       164.5592 2644.506       225.6944 2836.270       240.4496 175.3528 7.537132 181.5608 7.755327 -6.208023      10.81450 
1 1 1 -16 8  14 o 210.1335 5.309228 3784.635       190.5147 3874.313       255.0702 3671.478       286.5210 212.3022 7.035635 206.4393 8.127595 5.862869       10.74979 
1 1 1 -16 8  15 o 85.67886 8.533685 639.4539       123.1955 699.3507       214.8613 610.1181       150.3677 88.02318 14.82073 83.16152 10.84667 4.861656       18.36584 
1 1 1 -16 8  16 o 133.6584 5.297007 1532.085       120.9007 1346.176       164.2869 1751.706       178.5625 124.7403 7.750830 142.4392 7.366258 -17.69897      10.69285 
1 1 1 -16 8  17 o 83.28516 6.851521 600.8989       96.58006 668.5869       133.9681 527.6516       139.3611 87.42436 9.107302 77.12938 10.88328 10.29498       14.19115 
1 1 1 -16 8  18 o 289.8011 5.349294 7208.478       264.7271 7045.088       329.2258 7507.372       445.2878 286.0599 6.739612 294.4139 8.856875 -8.354004      11.12954 
1 1 1 -16 8  19 o 243.8094 4.909601 5099.429       204.4083 5138.987       258.9879 5034.079       332.8793 244.4100 6.205240 241.2745 8.079296 3.135498       10.18725 
1 1 1 -16 8  20 o 153.2048 5.790719 2018.225       151.4979 2033.895       225.3617 2005.305       204.6355 152.9025 8.666696 152.0564 7.908163 0.8460541      11.73246 
1 1 1 -16 8  21 o 192.3542 18.36473 3420.560       595.9080 3420.560       595.9080 0.000000       0.000000 192.3542 18.36473 ?        ?        0.000000       18.36473 
1 1 1 -16 8  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 8  23 f 93.12926 7.251915 754.4507       114.4203 764.6472       188.5430 748.5063       143.9604 92.22367 12.27699 92.22723 9.266090 -0.3555298E-02 15.38132 
1 1 1 -16 8  24 o 108.4788 6.360065 1018.982       117.3022 1096.293       181.0168 963.0141       154.0156 111.5674 9.594567 104.8133 8.683113 6.754089       12.94033 
1 1 1 -16 8  25 o 64.84563 10.79705 380.8905       115.3563 190.5643       167.6909 551.8661       158.9378 47.22056 16.67836 77.72883 12.39010 -30.50827      20.77697 
1 1 1 -16 8  26 o 71.40815 10.03505 459.8543       118.9912 467.6930       184.3891 454.2603       155.7666 69.53983 15.87662 69.51707 13.60854 0.2275085E-01  20.91075 
1 1 1 -16 8  27 o 82.30287 8.346394 603.0781       115.6823 313.2635       148.0874 1056.827       185.2958 56.54575 15.06501 108.2167 10.14539 -51.67092      18.16269 
1 1 1 -16 8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 8  29 f 123.7381 6.000139 1338.661       126.7847 1346.039       165.0167 1328.031       198.0785 122.8007 7.911201 120.6791 9.693568 2.121605       12.51209 
1 1 1 -16 8  30 o 47.11141 11.43612 216.2377       91.07744 173.5781       116.1301 284.4053       146.7999 41.98873 13.90459 52.09631 15.41673 -10.10758      20.76086 
1 1 1 -16 8  31 o 51.27809 10.93617 256.5533       92.84103 342.8442       120.4943 130.4766       145.6470 58.49929 12.44440 38.62743 15.14870 19.87186       19.60475 
1 1 1 -16 8  32 o 32.41639 12.32607 91.56247       94.31611 115.5963       114.4018 40.56509       166.6462 35.44003 13.55150 33.69239 14.85402 1.747631       20.10684 
1 1 1 -16 8  33 o 45.05541 14.10922 227.6100       120.6758 452.5525       260.2883 166.0209       136.1980 54.94493 20.56791 39.32266 14.84556 15.62227       25.36592 
1 1 1 -16 8  34 o 26.66059 11.25549 37.97677       87.90150 -15.90402      91.85493 623.8023       302.8794 23.52803 10.64950 59.01712 22.16836 -35.48909      24.59366 
1 1 1 -16 8  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 9  1  o 119.8780 4.361469 1230.037       89.28412 1299.339       129.3628 1166.994       123.3830 122.9036 6.183471 116.4535 6.226976 6.450150       8.775565 
1 1 1 -16 9  2  o 121.5246 4.611864 1264.307       95.70677 1218.281       137.7934 1307.207       133.0318 118.9144 6.814059 123.2632 6.341524 -4.348892      9.308401 
1 1 1 -16 9  3  o 165.8275 4.970670 2354.971       140.7581 2322.389       196.2114 2389.518       202.0407 164.4366 6.987530 166.7811 7.093982 -2.344482      9.957417 
1 1 1 -16 9  4  o 193.8112 4.973910 3216.766       164.6185 3157.783       228.6988 3280.184       237.1423 191.7500 6.984357 195.4109 7.106541 -3.660858      9.964144 
1 1 1 -16 9  5  o 225.3051 4.656916 4345.499       179.1725 4390.156       286.4974 4316.813       229.6163 226.0096 7.423212 224.3698 5.992892 1.639786       9.540379 
1 1 1 -16 9  6  o 313.7697 5.444580 8435.910       291.7274 8753.554       487.7599 8258.998       364.0113 318.6605 8.963466 310.1369 6.873208 8.523560       11.29534 
1 1 1 -16 9  7  o 150.6778 4.340755 1942.928       111.6906 1876.767       168.7437 1994.512       149.0008 147.8605 6.683029 152.5376 5.720183 -4.677032      8.796782 
1 1 1 -16 9  8  o 172.9633 4.783843 2561.510       141.2969 2326.734       207.9030 2763.035       192.6192 164.5263 7.399861 179.4562 6.285489 -14.92998      9.709033 
1 1 1 -16 9  9  o 180.9207 7.559012 2814.813       233.5368 2758.626       695.6928 2821.948       247.9230 172.1554 24.34321 181.0693 8.018076 -8.913849      25.62970 
1 1 1 -16 9  10 o 213.8545 5.774569 3921.726       210.8822 3719.705       279.9026 4186.946       320.7099 207.8882 7.884519 220.4113 8.520728 -12.52306      11.60898 
1 1 1 -16 9  11 o 158.0351 5.299993 2140.463       143.0312 2079.588       192.5930 2215.333       213.5852 155.5179 7.252006 160.4261 7.796402 -4.908188      10.64779 
1 1 1 -16 9  12 o 137.2168 5.328493 1614.021       124.8571 1508.572       160.1725 1777.332       199.3309 132.2660 7.117681 143.3814 8.174908 -11.11533      10.83930 
1 1 1 -16 9  13 o 193.5361 7.058201 3221.823       233.2695 3418.799       550.8036 3178.772       257.5024 195.4874 16.65863 192.0713 7.850855 3.416061       18.41592 
1 1 1 -16 9  14 o 189.2605 5.199966 3071.475       168.0592 3226.402       223.3310 2869.202       255.1846 193.6919 6.752050 182.3466 8.195110 11.34526       10.61838 
1 1 1 -16 9  15 o 227.4754 5.422144 4439.813       210.6238 4341.610       292.4073 4545.708       303.6444 224.4096 7.630356 229.5904 7.744789 -5.180786      10.87217 
1 1 1 -16 9  16 o 97.22333 5.589260 814.2079       92.40498 578.6890       118.7458 1175.779       147.1304 81.33764 8.683400 116.5458 7.431445 -35.20819      11.42925 
1 1 1 -16 9  17 o 155.1398 4.865003 2064.202       128.8867 2154.826       160.6929 1900.751       215.8070 158.3357 5.943139 147.9412 8.579129 10.39449       10.43659 
1 1 1 -16 9  18 o 109.3364 5.228879 1026.318       97.62817 1095.521       125.4504 920.0457       155.4613 112.6014 6.552518 102.6079 8.962307 9.993500       11.10218 
1 1 1 -16 9  19 o 32.77262 12.93453 56.76361       106.8152 4.479843       119.6874 261.3647       236.7658 30.50223 13.01542 55.69815 19.80232 -25.19592      23.69669 
1 1 1 -16 9  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 9  22 o 99.91675 6.687775 865.6201       113.4507 1096.970       176.1185 701.5283       148.3248 111.7860 9.310721 89.04952 9.922678 22.73646       13.60695 
1 1 1 -16 9  23 o 54.52482 12.86496 275.0117       117.8512 447.8321       174.3603 129.6505       159.9095 69.11961 15.18692 42.53570 16.07941 26.58391       22.11764 
1 1 1 -16 9  24 o 78.89849 9.257085 552.6553       122.3523 625.5871       180.8106 491.0497       166.1786 82.46203 13.29195 72.62407 13.90606 9.837959       19.23680 
1 1 1 -16 9  25 o 69.03936 10.85398 434.0821       123.7410 250.7660       165.9578 663.5889       185.6929 51.52456 16.59485 84.52131 13.30538 -32.99675      21.27022 
1 1 1 -16 9  26 o 75.16187 9.160460 507.9025       115.1433 332.9623       170.3631 655.0174       156.2280 57.85995 16.45870 84.57294 11.08432 -26.71299      19.84316 
1 1 1 -16 9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 9  28 o 108.2200 6.151300 1027.537       113.2086 987.2429       142.1563 1097.396       187.1795 105.1164 7.978955 109.4121 10.13328 -4.295631      12.89756 
1 1 1 -16 9  29 o 44.43507 11.74705 192.9151       90.49193 301.9033       113.5354 3.085687       149.8385 55.46560 12.30842 31.92871 14.08031 23.53688       18.70167 
1 1 1 -16 9  30 o 73.80929 7.747099 494.3672       96.18907 475.5235       121.6637 525.7830       157.0910 70.78979 10.37208 72.39420 13.19317 -1.604408      16.78213 
1 1 1 -16 9  31 o 89.65816 6.985242 726.1761       106.1041 691.4097       127.7770 803.3929       190.4273 86.10741 8.814033 88.87301 12.92636 -2.765594      15.64538 
1 1 1 -16 9  32 o 31.04316 11.52711 87.34313       81.43136 212.1730       100.8133 -146.9991      138.1286 44.61668 12.65033 23.67197 11.41759 20.94471       17.04090 
1 1 1 -16 9  33 o 85.86041 6.577415 671.5256       95.70506 628.3361       112.0810 787.7847       183.8891 81.70750 8.141222 86.03375 12.91539 -4.326248      15.26718 
1 1 1 -16 9  34 o 29.20181 11.20168 78.25428       78.32181 82.61378       96.10519 69.63296       135.1499 30.45482 12.18809 31.53885 13.64821 -1.084034      18.29818 
1 1 1 -16 10 1  o 68.35545 5.330703 403.0211       61.73235 413.4284       83.55360 390.5110       91.60650 68.95524 7.201985 66.81239 8.201320 2.142845       10.91468 
1 1 1 -16 10 2  o 68.83850 5.567859 409.0438       64.89133 415.7927       88.95451 401.3671       94.87138 69.07618 7.670688 67.71924 8.383041 1.356941       11.36287 
1 1 1 -16 10 3  o 118.2229 4.383109 1196.627       88.48825 1262.017       126.8231 1134.595       123.5246 121.0965 6.153115 114.7771 6.326694 6.319336       8.825412 
1 1 1 -16 10 4  o 256.4174 4.970858 5633.544       217.6611 5628.909       362.4064 5636.161       272.2294 255.5160 8.305693 256.2243 6.221754 -0.7082672     10.37761 
1 1 1 -16 10 5  o 38.50821 8.777975 133.0203       56.43964 159.3679       75.85371 100.3425       84.47609 42.06272 10.57239 35.09996 11.86259 6.962761       15.89013 
1 1 1 -16 10 6  o 112.9366 4.615447 1092.323       89.01236 1148.830       126.3017 1036.560       125.4675 115.4814 6.430147 109.6273 6.734700 5.854095       9.311443 
1 1 1 -16 10 7  o 335.8501 5.568940 9673.570       319.3889 9239.970       535.9157 9912.405       397.7408 326.8146 9.602695 339.5830 6.858865 -12.76846      11.80067 
1 1 1 -16 10 8  o 70.86011 6.347716 434.6252       75.99654 415.8502       96.17280 465.8407       124.0075 68.95464 8.336744 72.62196 10.28718 -3.667320      13.24112 
1 1 1 -16 10 9  o 82.71696 5.762792 589.8845       80.89243 540.1444       101.9983 674.2040       132.8017 78.82980 7.674369 87.89648 8.973543 -9.066681      11.80764 
1 1 1 -16 10 10 o 87.93918 10.53398 680.5014       155.0408 1319.624       420.4154 579.8999       166.7972 118.7117 21.53172 80.57130 12.53005 38.14037       24.91218 
1 1 1 -16 10 11 o 62.88021 7.285290 344.8500       76.77891 320.6494       92.38371 398.8937       138.0562 60.20219 9.284882 66.49512 12.61969 -6.292931      15.66734 
1 1 1 -16 10 12 o 261.9529 5.800790 5891.057       259.4850 5505.239       357.7484 6319.375       376.9374 252.5108 8.296518 270.5882 8.157526 -18.07747      11.63518 
1 1 1 -16 10 13 o 211.6566 5.084099 3841.981       183.7586 4072.333       250.8488 3575.215       269.9490 217.5431 6.752503 203.5788 7.765103 13.96428       10.29044 
1 1 1 -16 10 14 o 121.6304 5.041074 1268.890       104.7049 1274.817       138.7309 1261.046       159.6037 121.5215 6.711270 120.6335 7.789318 0.8880386      10.28176 
1 1 1 -16 10 15 o 182.5675 5.109526 2859.899       159.2964 2916.955       213.0739 2787.598       239.8548 184.0372 6.779891 179.6559 7.818168 4.381241       10.34846 
1 1 1 -16 10 16 o 119.7292 4.908206 1229.816       100.3517 1214.288       127.1164 1255.503       163.4879 118.6259 6.297649 120.2436 8.007787 -1.617645      10.18749 
1 1 1 -16 10 17 f 70.54796 14.54189 458.2274       169.3652 460.1801       194.4409 452.0876       344.7868 70.14262 16.50788 69.90847 23.96391 0.2341461      29.09947 
1 1 1 -16 10 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 10 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 10 20 o 170.7296 5.048673 2503.684       147.1933 2455.333       185.3230 2586.307       242.2585 168.7611 6.430654 172.6800 8.215523 -3.918869      10.43303 
1 1 1 -16 10 21 o 226.2930 6.804522 4423.630       262.9484 4930.212       417.5305 4090.650       338.5103 237.1237 10.31125 216.5960 9.152074 20.52776       13.78703 
1 1 1 -16 10 22 o 157.3163 5.463512 2130.631       146.7735 2382.672       187.0891 1727.241       236.6874 166.0482 6.598003 139.9856 9.966331 26.06256       11.95247 
1 1 1 -16 10 23 o 111.5809 6.558639 1081.607       124.4204 1244.924       167.2090 878.9984       186.2394 119.1524 8.268970 98.88359 11.22832 20.26883       13.94457 
1 1 1 -16 10 24 o 102.6435 6.424378 917.7370       112.0397 909.3726       134.5076 936.6918       202.4828 101.6978 7.804745 101.3320 11.92997 0.3657684      14.25616 
1 1 1 -16 10 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 10 27 o 89.70083 8.305725 722.9168       125.7822 729.4034       162.9546 713.3552       197.8445 88.49394 11.02218 85.39449 14.05647 3.099449       17.86260 
1 1 1 -16 10 28 o 65.76909 8.368730 394.0106       91.86142 342.9629       112.9409 493.7918       157.9018 59.70185 11.49511 70.47073 13.61408 -10.76888      17.81798 
1 1 1 -16 10 29 o 37.34213 12.47896 134.0644       93.47239 241.2653       110.2918 -139.2268      176.0990 48.76655 13.00528 28.43957 13.48903 20.32698       18.73743 
1 1 1 -16 10 30 o 71.80754 7.919137 473.8296       95.49171 514.8320       120.8755 405.7540       155.7506 73.50513 9.880016 61.03149 15.04104 12.47364       17.99577 
1 1 1 -16 10 31 o 51.76879 10.38006 265.6678       88.56924 169.0014       111.6169 430.0216       145.5400 39.84429 13.63487 63.04356 13.89338 -23.19928      19.46627 
1 1 1 -16 10 32 o 85.48477 6.434081 662.7431       93.23535 785.4623       114.5063 421.3287       160.6034 92.31931 7.323433 59.80753 15.57232 32.51178       17.20842 
1 1 1 -16 10 33 o 21.42988 9.537744 -4.613908      70.31352 -4.006568      82.79616 -6.184997      133.1664 23.03164 10.29283 27.69594 12.64727 -4.664299      16.30631 
1 1 1 -16 11 1  o 89.42856 4.722826 687.2528       71.86829 738.2171       104.4376 641.4106       99.05043 92.41100 6.662766 86.08361 6.793249 6.327385       9.515287 
1 1 1 -16 11 2  o 279.1769 5.312419 6685.383       253.2641 7120.923       418.4490 6433.604       318.1553 287.0885 8.535420 273.4655 6.812941 13.62296       10.92106 
1 1 1 -16 11 3  f 108.9430 4.334188 1016.462       80.63229 957.0690       116.0056 1071.976       112.1544 105.3198 6.481583 111.5798 5.907155 -6.260025      8.769572 
1 1 1 -16 11 4  o 204.6741 4.655436 3589.360       162.7141 3755.331       264.6779 3488.525       206.3035 208.7909 7.423420 201.5473 5.994151 7.243668       9.541331 
1 1 1 -16 11 5  o 188.1594 4.269102 3031.775       137.1717 3093.744       213.5064 2988.217       179.0028 189.6888 6.591242 186.6032 5.617446 3.085663       8.660264 
1 1 1 -16 11 6  o 121.6394 4.817906 1268.085       100.0771 1299.484       145.0961 1239.592       138.2151 122.6958 6.953664 119.8584 6.780622 2.837395       9.712378 
1 1 1 -16 11 7  o 219.7515 4.541950 4137.115       170.4418 4224.778       273.0165 4081.129       218.1818 221.5004 7.217926 218.0161 5.860410 3.484344       9.297465 
1 1 1 -16 11 8  o 92.27744 5.346900 732.9116       83.89463 664.1284       111.5753 822.3850       127.2547 87.46671 7.543841 97.36514 7.716851 -9.898430      10.79163 
1 1 1 -16 11 9  o 31.13201 10.37622 79.92300       64.63246 138.6048       85.74037 2.692250       98.36234 39.55570 11.79959 27.76095 11.82123 11.79475       16.70245 
1 1 1 -16 11 10 o 30.10083 12.28627 31.88786       99.85706 168.8367       353.9698 20.04657       104.0846 57.08178 23.19651 29.73317 12.37923 27.34860       26.29303 
1 1 1 -16 11 11 o 49.09116 12.92948 219.5356       109.8923 287.7937       372.0108 213.0098       115.0255 63.03569 24.35141 48.42414 13.43688 14.61155       27.81261 
1 1 1 -16 11 12 o 202.1379 5.601048 3508.995       193.3388 3478.525       272.1152 3540.057       274.7484 200.6740 7.940719 202.4391 7.947652 -1.765060      11.23478 
1 1 1 -16 11 13 f 25.44630 9.659809 40.34842       57.86602 68.80007       69.93423 -21.42190      103.0448 30.17765 10.75867 26.78263 11.74780 3.395018       15.92984 
1 1 1 -16 11 14 o 29.41290 12.33706 15.70536       104.5023 -50.09583      132.8287 122.5959       169.2952 29.10477 13.01976 43.06229 16.48063 -13.95751      21.00298 
1 1 1 -16 11 15 o 78.45776 13.35079 558.4079       172.4660 562.5300       236.4957 553.7255       252.0547 77.13088 18.24157 76.20829 19.33687 0.9225922      26.58325 
1 1 1 -16 11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 11 18 o 99.87769 5.612003 860.5447       95.32893 860.5881       114.3094 860.4454       172.7499 99.65223 6.757211 98.66151 10.41059 0.9907227      12.41130 
1 1 1 -16 11 19 o 122.8090 4.990192 1295.646       104.6525 1312.532       131.6210 1266.623       172.5594 123.2338 6.275278 120.4654 8.441646 2.768372       10.51858 
1 1 1 -16 11 20 o 65.42004 7.785246 376.2060       85.26523 291.5225       98.72218 624.8674       169.1684 56.76052 10.57419 83.12804 12.28738 -26.36752      16.21090 
1 1 1 -16 11 21 o 146.9697 5.291731 1859.946       132.8090 1865.772       156.7596 1845.132       249.9932 146.9564 6.246597 144.4151 10.20275 2.541290       11.96311 
1 1 1 -16 11 22 o 26.73030 10.37623 42.28524       67.79785 22.27766       76.32793 117.0905       147.5884 25.93620 10.68175 40.36121 15.40185 -14.42501      18.74345 
1 1 1 -16 11 23 o 58.64286 8.540567 308.4781       83.01548 200.8024       99.28493 558.6715       151.3430 46.18533 12.34954 77.90834 11.74012 -31.72301      17.03941 
1 1 1 -16 11 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 11 25 o 107.7970 6.789435 1021.883       124.3419 866.5370       174.8524 1180.811       176.8566 97.14241 10.71900 114.6108 9.111582 -17.46835      14.06833 
1 1 1 -16 11 26 o 91.74113 6.013545 738.7673       93.68864 757.6087       113.0818 697.5242       167.3059 92.35635 7.227729 85.99782 11.69598 6.358536       13.74904 
1 1 1 -16 11 27 o 72.33619 7.526134 470.4089       91.60593 498.3115       111.1796 411.4181       161.6570 73.69154 9.023509 63.02984 15.19648 10.66170       17.67362 
1 1 1 -16 11 28 o 71.22533 6.913373 455.0625       83.02738 421.0194       97.59100 544.2780       157.9849 67.58433 8.654754 73.87122 12.99851 -6.286888      15.61621 
1 1 1 -16 11 29 f 37.07107 11.18045 136.2285       76.66788 94.23952       85.37090 311.2427       174.2926 32.40748 11.84208 51.70791 17.03008 -19.30043      20.74267 
1 1 1 -16 11 30 o 26.12196 10.55714 43.19421       72.87921 72.86498       85.37268 -36.51420      139.9286 29.92822 11.63642 27.88836 12.82001 2.039850       17.31355 
1 1 1 -16 11 31 o 44.31806 10.94423 201.5163       82.33423 288.4046       100.4346 23.47062       143.7701 52.87681 11.45412 30.57470 13.62079 22.30211       17.79671 
1 1 1 -16 11 32 o 29.71515 11.06422 83.34089       75.12399 41.27245       84.07866 249.8790       167.2878 26.42114 11.07327 43.74791 16.46692 -17.32677      19.84381 
1 1 1 -16 12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 4  o 238.1312 16.19000 5089.105       654.4526 4971.556       1182.319 5141.033       785.8203 220.4302 32.37413 236.7025 19.61782 -16.27235      37.85423 
1 1 1 -16 12 5  o 56.90929 17.01067 295.9132       178.0609 256.8879       466.1924 302.5787       192.6682 65.64390 26.64096 57.68169 17.78942 7.962204       32.03442 
1 1 1 -16 12 6  o 181.9177 14.07224 2942.940       433.7595 2770.320       807.4512 3012.961       514.2637 165.9573 29.57607 182.6412 16.67245 -16.68390      33.95166 
1 1 1 -16 12 7  o 145.2923 13.67271 1879.048       335.2437 1717.070       649.1785 1937.954       391.4843 129.5016 29.95185 146.5451 15.89878 -17.04347      33.90995 
1 1 1 -16 12 8  o 154.7533 13.85845 2133.102       362.3537 1489.414       696.5024 2371.973       424.2941 118.1410 33.16519 162.4368 15.48353 -44.29580      36.60150 
1 1 1 -16 12 9  o 128.2346 13.53653 1467.246       291.9452 1633.599       606.9987 1417.184       332.9895 126.8155 28.69891 124.9755 15.96786 1.840004       32.84205 
1 1 1 -16 12 10 o 46.48372 16.60921 171.7701       166.7643 95.33401       527.7610 180.2484       175.7700 62.77402 27.06784 47.59647 17.04701 15.17756       31.98857 
1 1 1 -16 12 11 o 110.9540 16.20315 1124.938       297.9520 1532.475       404.7787 643.0002       440.1793 128.3495 19.04582 81.25755 27.07856 47.09190       33.10577 
1 1 1 -16 12 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 15 o 142.3435 4.984120 1739.412       121.1513 1896.859       153.0516 1475.220       198.2588 148.4588 6.037124 130.0069 8.985394 18.45189       10.82516 
1 1 1 -16 12 16 o 65.05338 6.620591 368.6704       72.52260 357.5123       87.57085 393.0305       129.3907 63.70258 8.243437 65.83563 11.94915 -2.133049      14.51676 
1 1 1 -16 12 17 o 155.4552 5.164151 2076.802       137.0901 2135.886       171.2432 1971.355       228.7673 157.3859 6.371558 150.2352 8.957754 7.150696       10.99264 
1 1 1 -16 12 18 o 148.0254 5.125837 1883.746       129.5695 1820.466       156.9439 2019.199       229.6164 145.2582 6.327059 151.9738 8.886435 -6.715637      10.90873 
1 1 1 -16 12 19 o 142.5777 5.317691 1750.321       129.4722 1755.025       158.9099 1741.034       223.3015 142.4668 6.531840 140.6916 9.347600 1.775146       11.40362 
1 1 1 -16 12 20 o 201.4270 5.063850 3494.656       174.1808 3493.969       215.0605 3495.968       296.9599 200.9425 6.267394 199.7719 8.704855 1.170609       10.72636 
1 1 1 -16 12 21 o 32.97062 10.55358 95.73984       67.19882 132.1611       75.57703 -41.75063      146.8414 37.96511 11.01294 30.58342 13.68469 7.381693       17.56575 
1 1 1 -16 12 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 24 o 87.01296 6.056659 663.6782       89.43405 655.2247       108.6877 681.4036       157.3841 85.87293 7.486661 85.72372 11.00537 0.1492157      13.31046 
1 1 1 -16 12 25 o 31.47640 10.71045 87.27493       68.86827 60.67992       74.91862 232.2652       174.9279 28.90375 10.98681 48.10568 17.02979 -19.20193      20.26631 
1 1 1 -16 12 26 o 64.08083 6.332879 364.8116       68.39286 264.9676       75.95918 792.4102       157.1945 53.62282 8.584849 92.25673 10.14547 -38.63391      13.29023 
1 1 1 -16 12 27 o 65.07838 5.768446 375.2583       63.44146 339.9811       69.45289 552.9869       155.8912 61.52314 6.720024 74.54487 12.70157 -13.02173      14.36971 
1 1 1 -16 12 28 o 25.41637 9.596063 49.65107       56.90884 40.39213       60.26784 125.8361       172.8781 24.70765 9.727114 38.69561 16.01919 -13.98796      18.74117 
1 1 1 -16 12 29 o 53.64686 7.856807 268.7679       69.84353 260.2814       75.92547 315.4632       178.0984 52.21394 8.830121 50.52741 17.22362 1.686531       19.35521 
1 1 1 -16 12 30 o 31.80319 10.65358 99.48653       68.12836 82.29443       77.74429 156.3744       141.4209 30.14567 11.24941 38.43469 14.96756 -8.289015      18.72371 
1 1 1 -16 12 31 o 26.53843 10.45333 55.89169       69.63691 106.4522       80.49747 -94.47726      138.8211 32.37714 11.54265 24.82112 11.83064 7.556021       16.52867 
1 1 1 -16 13 1  o 165.1574 4.930830 2340.090       139.0657 2170.781       203.2160 2489.211       190.7157 158.5763 7.504429 170.0264 6.568532 -11.45003      9.973067 
1 1 1 -16 13 2  o 73.32768 6.257082 465.8952       77.60064 408.3518       102.4151 543.4682       118.9109 68.04949 9.036765 78.67115 9.013897 -10.62166      12.76376 
1 1 1 -16 13 3  o 137.9616 5.025548 1633.097       118.3978 1490.278       173.6754 1757.099       161.8308 131.1199 7.791569 142.8450 6.634288 -11.72513      10.23339 
1 1 1 -16 13 4  o 81.31252 7.320323 574.8126       100.5562 501.9752       119.9915 746.6346       184.2947 75.45469 9.524590 91.51098 12.08933 -16.05629      15.39057 
1 1 1 -16 13 5  o 99.12094 5.661551 846.7519       95.43275 719.1644       121.1373 1055.486       154.9427 90.90558 7.881423 110.1571 8.297695 -19.25156      11.44415 
1 1 1 -16 13 6  o 103.6129 14.21683 967.7683       244.9152 0.000000       0.000000 967.7683       244.9152 ?        ?        103.6129 14.21683 0.000000       14.21683 
1 1 1 -16 13 7  f 148.2127 5.005401 1884.777       126.6853 1861.173       179.7169 1908.091       178.6085 146.9077 7.163781 148.7751 7.030236 -1.867371      10.03713 
1 1 1 -16 13 8  o 172.8804 4.713983 2563.128       139.1668 2322.918       209.6046 2752.500       186.1071 164.0350 7.482771 178.8906 6.092191 -14.85565      9.649179 
1 1 1 -16 13 9  f 113.4349 5.261136 1104.811       101.9127 1006.118       142.9917 1206.700       145.2884 107.6120 7.835030 118.0420 7.242626 -10.43002      10.66974 
1 1 1 -16 13 10 o 63.98553 7.735820 358.8489       82.80962 397.1419       103.4742 290.6337       138.1059 66.99997 9.294223 56.10442 14.35583 10.89555       17.10183 
1 1 1 -16 13 11 o 122.4542 5.256649 1287.901       109.9221 1387.754       153.2591 1182.117       157.7444 126.6094 7.117440 116.6128 7.969207 9.996620       10.68486 
1 1 1 -16 13 12 o 56.89725 8.343651 286.3465       78.65942 232.3132       94.92009 404.7940       140.5370 50.50227 11.28998 66.62675 12.81744 -16.12448      17.08070 
1 1 1 -16 13 13 o 143.9019 8.961514 1807.189       219.1238 0.000000       0.000000 1807.189       219.1238 ?        ?        143.9019 8.961514 0.000000       8.961514 
1 1 1 -16 13 14 o 77.25352 6.508021 518.2412       85.05605 688.5518       108.3153 244.2962       137.3728 88.97609 7.190214 51.48718 14.82240 37.48891       16.47431 
1 1 1 -16 13 15 o 239.4548 5.335455 4931.102       218.1710 4963.722       270.8557 4870.838       368.1512 239.7843 6.614779 236.3638 9.121020 3.420517       11.26713 
1 1 1 -16 13 16 o 66.41279 6.988524 385.7674       78.06799 322.4462       88.08282 617.6929       168.5742 60.20464 8.830023 82.52647 12.34069 -22.32183      15.17438 
1 1 1 -16 13 17 o 163.4882 5.395350 2302.770       150.6288 2224.859       181.1365 2477.422       271.2025 160.3378 6.615586 167.7562 9.506096 -7.418427      11.58153 
1 1 1 -16 13 18 o 127.4223 5.213605 1399.617       113.4451 1428.681       137.0556 1336.375       202.1737 128.4728 6.247177 122.7281 9.726349 5.744629       11.55980 
1 1 1 -16 13 19 o 94.33544 5.760231 772.8316       92.34866 867.3541       108.5808 525.6715       175.5798 99.76415 6.407364 74.41869 14.33626 25.34547       15.70295 
1 1 1 -16 13 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 13 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 13 22 o 63.00393 8.262498 357.3549       86.75273 399.4860       107.4389 278.4220       147.0582 66.00387 9.832257 52.78963 15.37629 13.21424       18.25113 
1 1 1 -16 13 23 o 165.4316 5.311113 2379.851       150.0396 2478.877       186.3752 2197.480       252.9241 168.0869 6.493107 155.5959 9.565327 12.49100       11.56097 
1 1 1 -16 13 24 o 54.74804 9.819293 280.6421       88.42892 227.3139       107.2565 393.8282       156.2578 47.88603 12.84907 61.96643 14.94083 -14.08041      19.70601 
1 1 1 -16 13 25 o 46.06913 10.13417 202.9878       77.55977 265.3806       90.29105 27.35275       151.4898 52.70767 10.40092 33.08129 14.38260 19.62638       17.74932 
1 1 1 -16 13 26 o 57.45972 7.293553 300.4309       69.95383 387.4651       78.49551 -35.45432      154.2039 65.42607 7.141740 29.88980 13.63377 35.53627       15.39104 
1 1 1 -16 13 27 o 13.58731 6.678208 -102.8797      53.87269 -108.3253      56.81422 -54.33860      169.6254 13.93834 6.852235 29.95469 13.89209 -16.01635      15.49010 
1 1 1 -16 13 28 o 53.14067 7.147146 260.2888       63.21317 246.7874       67.60554 354.1805       178.2811 51.27521 7.980563 53.41676 17.19950 -2.141544      18.96080 
1 1 1 -16 13 29 o 16.75819 7.760999 -34.13649      52.66818 -33.13136      57.04482 -39.94308      137.1087 17.62008 8.130837 27.07849 12.53400 -9.458406      14.94027 
1 1 1 -16 13 30 o 56.35601 7.310052 298.0552       68.69254 285.2377       77.60875 344.4205       147.6066 54.15785 8.685172 52.72652 15.41844 1.431332       17.69634 
1 1 1 -16 14 1  o 44.44104 9.256244 178.4580       67.96458 78.10862       86.07446 344.6208       110.7602 32.56375 11.89205 61.75569 10.90135 -29.19194      16.13258 
1 1 1 -16 14 2  o 106.3473 5.070871 971.7817       92.08969 923.3852       132.0576 1017.595       128.4848 103.0049 7.560465 108.3033 6.984408 -5.298424      10.29284 
1 1 1 -16 14 3  o 112.8685 5.283715 1094.972       101.8390 1018.299       137.6284 1187.755       151.3986 108.2359 7.492287 116.8971 7.626089 -8.661140      10.69072 
1 1 1 -16 14 4  o 94.16261 14.16155 807.2307       220.6648 0.000000       0.000000 807.2307       220.6648 ?        ?        94.16261 14.16155 0.000000       14.16155 
1 1 1 -16 14 5  o 176.1264 4.673528 2661.906       140.5631 2592.167       221.0793 2709.228       182.1118 173.1316 7.477730 177.3957 6.011642 -4.264069      9.594597 
1 1 1 -16 14 6  o 121.6304 5.970944 1273.441       124.0186 1142.629       152.9477 1524.550       211.9090 114.6174 7.861824 131.9615 9.466638 -17.34401      12.30551 
1 1 1 -16 14 7  o 73.86692 6.081952 472.9346       76.03577 519.8628       100.6809 410.6387       116.0007 77.12740 7.749106 67.80402 10.34623 9.323380       12.92645 
1 1 1 -16 14 8  o 102.4911 5.705942 906.4570       99.46960 992.4895       134.8904 803.9152       147.2653 106.8774 7.437166 95.69870 9.121823 11.17875       11.76941 
1 1 1 -16 14 9  o 82.95306 6.030090 595.7035       84.83541 500.9034       114.3011 711.9811       126.5884 75.34563 9.065577 90.20910 8.311003 -14.86346      12.29868 
1 1 1 -16 14 10 o 63.35321 6.997636 350.9281       74.44090 398.4931       89.59998 244.9330       133.7541 67.34532 7.943988 51.46697 14.56379 15.87835       16.58948 
1 1 1 -16 14 11 o 153.5584 4.901097 2025.956       128.5195 2095.020       191.0825 1968.904       173.6705 155.5967 7.191485 150.9638 6.736765 4.632950       9.854008 
1 1 1 -16 14 12 o 99.07370 5.363981 847.1611       90.41215 829.8390       116.1797 873.7603       143.9674 97.68225 7.011507 99.81991 8.527716 -2.137657      11.04007 
1 1 1 -16 14 13 o 84.00619 5.986544 611.8748       85.31764 526.5571       109.3403 744.6824       136.4182 77.30132 8.419223 91.95961 8.794301 -14.65829      12.17469 
1 1 1 -16 14 14 o 93.64076 8.173531 770.0684       129.3902 353.7611       283.5396 879.5646       145.4140 61.39360 21.68698 99.97808 8.600978 -38.58448      23.33028 
1 1 1 -16 14 15 o 84.54262 6.267365 621.9250       89.83777 601.5071       100.4648 703.4091       200.6988 82.89693 7.167491 86.95947 13.98970 -4.062531      15.71892 
1 1 1 -16 14 16 o 43.13925 9.220329 169.9809       65.86402 183.9587       73.08997 109.5903       151.9229 44.76545 9.830315 39.95494 15.52622 4.810505       18.37658 
1 1 1 -16 14 17 o 67.32951 6.571041 397.8202       74.58820 416.1001       84.23357 331.4327       160.5243 68.66235 7.295743 58.20025 15.76250 10.46210       17.36906 
1 1 1 -16 14 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 14 19 o 23.42562 9.287636 28.92551       55.30641 75.39877       58.06951 -424.8456      181.4533 29.55784 9.834535 23.07368 11.49938 6.484154       15.13122 
1 1 1 -16 14 20 o 35.55321 9.040610 117.1768       55.01214 144.9541       60.04035 -28.13410      137.3243 39.54521 9.082319 29.72528 13.27203 9.819927       16.08214 
1 1 1 -16 14 21 o 77.01786 5.930513 520.7828       77.39844 584.2892       90.54334 348.4509       149.1525 81.35540 6.573461 58.77773 14.85353 22.57767       16.24308 
1 1 1 -16 14 22 o 95.42713 5.828129 799.1893       94.51833 941.4634       116.6953 527.8364       161.1601 103.1850 6.658223 73.31136 13.36560 29.87367       14.93222 
1 1 1 -16 14 23 o 51.51185 8.772840 245.8127       74.40445 228.0542       81.31589 337.1589       184.4240 49.01010 10.05326 55.39889 17.45721 -6.388790      20.14503 
1 1 1 -16 14 24 o 84.73148 6.230189 637.8343       89.51405 660.0172       100.6459 553.8661       195.8143 85.81077 6.927401 71.24932 16.42972 14.56145       17.83044 
1 1 1 -16 14 25 o 24.23612 9.534927 38.31860       57.87266 73.22589       61.27533 -250.0556      176.1188 28.71304 10.08760 25.04877 12.26262 3.664276       15.87865 
1 1 1 -16 14 26 o 36.94134 9.327599 133.1808       58.85258 134.3351       64.42336 127.3592       144.6811 36.85993 9.986819 37.24295 14.93679 -0.3830223     17.96787 
1 1 1 -16 14 27 o 35.16396 8.594493 119.7612       51.17261 105.9774       54.71835 215.8959       144.5067 32.87878 9.319035 43.38725 15.46557 -10.50848      18.05625 
1 1 1 -16 14 28 o 21.20636 8.457216 27.97577       46.10700 20.84474       48.88549 85.41244       138.7389 20.77098 8.550795 33.26910 14.09815 -12.49812      16.48860 
1 1 1 -16 14 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 15 2  o 120.7385 7.319725 1272.528       150.2057 0.000000       0.000000 1272.528       150.2057 ?        ?        120.7385 7.319725 0.000000       7.319725 
1 1 1 -16 15 3  o 108.6788 6.243399 1025.121       115.3825 1149.718       138.1129 737.2389       209.9356 114.8554 7.076201 88.98215 14.30032 25.87330       15.95530 
1 1 1 -16 15 4  o 137.0918 5.000610 1618.076       117.0675 1601.918       174.3452 1631.344       157.9790 135.4871 7.565682 137.1894 6.743367 -1.702286      10.13472 
1 1 1 -16 15 5  o 73.98672 6.148622 476.3026       76.98060 574.1215       102.5174 349.8411       116.5643 80.93092 7.503242 61.81966 11.46385 19.11126       13.70104 
1 1 1 -16 15 6  o 180.7562 4.775006 2810.401       147.3904 2624.658       230.0202 2939.791       191.9815 173.6359 7.757551 184.4433 6.095292 -10.80743      9.865707 
1 1 1 -16 15 7  o 124.9206 5.019171 1343.396       107.0700 1218.142       153.6050 1461.768       149.3254 118.0821 7.658950 129.7077 6.765090 -11.62556      10.21890 
1 1 1 -16 15 8  o 100.6611 6.073892 878.8301       103.9183 925.5621       122.6814 760.1348       195.5188 103.0495 7.013293 91.10694 12.92989 11.94255       14.70946 
1 1 1 -16 15 9  o 52.37814 8.136732 244.7728       70.41656 293.3627       81.32383 99.20072       140.7616 57.31983 8.571457 38.63023 14.96352 18.68960       17.24462 
1 1 1 -16 15 10 o 61.97014 7.337850 338.5319       76.14412 383.8643       96.34932 263.1188       124.2702 65.61236 8.822883 52.81039 13.67264 12.80196       16.27219 
1 1 1 -16 15 11 o 58.35543 7.814255 302.2607       75.91479 380.5786       92.66749 142.4459       132.3748 65.38496 8.500472 41.37167 14.79628 24.01329       17.06423 
1 1 1 -16 15 12 o 177.1908 4.923862 2706.362       148.9872 2752.734       224.9911 2670.149       198.8261 177.6384 7.416970 175.3228 6.640992 2.315582       9.955612 
1 1 1 -16 15 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 15 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 15 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 15 16 o 107.1166 5.713848 998.5538       104.1396 1063.348       119.8698 799.1340       210.2938 110.2881 6.392129 91.65871 13.86889 18.62939       15.27107 
1 1 1 -16 15 17 o 27.93841 10.55150 55.08405       68.81875 76.85384       79.78015 -8.213326      136.0381 31.29006 11.44563 30.67960 13.47664 0.6104565      17.68113 
1 1 1 -16 15 18 o 75.83160 6.162887 505.2958       79.11572 492.5541       93.24718 538.0390       149.4800 74.38739 7.440442 75.48343 11.99808 -1.096039      14.11786 
1 1 1 -16 15 19 o 26.59817 10.04836 50.48468       62.42387 94.90260       71.47221 -92.37939      128.1798 32.61089 10.91196 25.60509 11.94241 7.005798       16.17689 
1 1 1 -16 15 20 o 104.9383 5.334987 961.8768       95.28771 1004.102       115.7122 872.9141       167.9575 106.7125 6.379040 97.04994 10.29154 9.662598       12.10818 
1 1 1 -16 15 21 o 104.4472 5.167081 951.2479       92.16033 863.5889       109.3367 1166.370       171.2815 98.71920 6.522541 113.0483 8.945529 -14.32915      11.07095 
1 1 1 -16 15 22 o 34.50181 9.637712 113.7013       58.96948 117.8957       64.27705 91.40410       148.2000 35.04887 10.15324 36.24799 14.90118 -1.199123      18.03146 
1 1 1 -16 15 23 o 48.83717 8.260998 222.6242       66.43768 211.8054       74.05042 267.2749       150.4361 46.96835 9.557661 49.02819 15.80069 -2.059841      18.46648 
1 1 1 -16 15 24 o 39.34829 8.692462 148.3292       56.85003 121.1164       61.72041 300.6276       146.0124 35.14147 9.875364 51.51360 15.40533 -16.37213      18.29883 
1 1 1 -16 15 25 o 26.76915 9.290855 64.42317       51.90270 80.34918       55.76023 -38.87948      142.0126 29.17677 9.633626 27.94905 12.87276 1.227715       16.07840 
1 1 1 -16 15 26 o 51.87746 6.818385 247.9489       58.94037 249.6639       64.15256 238.6631       149.2796 51.68564 7.486446 44.62626 15.73895 7.059383       17.42875 
1 1 1 -16 15 27 o 38.89256 7.440837 143.8791       47.61801 178.5088       50.44505 -139.3610      144.2685 43.66110 7.002523 24.00106 11.59899 19.66004       13.54887 
1 1 1 -16 16 1  o 81.83105 6.776782 587.7757       93.84637 512.6236       121.8522 697.3428       147.1306 75.30527 9.701173 87.85924 9.983775 -12.55396      13.92079 
1 1 1 -16 16 2  o 81.09021 5.695014 572.3787       78.36146 697.4699       110.6423 446.4813       110.9982 89.01703 7.344141 70.33854 9.482718 18.67849       11.99410 
1 1 1 -16 16 3  o 51.66101 8.144894 239.7025       69.47364 278.2725       88.27779 176.9453       112.6051 55.23127 9.714420 43.59904 13.62535 11.63223       16.73380 
1 1 1 -16 16 4  o 29.14689 10.05134 70.09608       60.70019 106.4715       76.26471 7.226212       100.2631 34.68291 11.25760 27.78869 11.88642 6.894215       16.37133 
1 1 1 -16 16 5  f 177.2256 4.799781 2708.691       145.2612 2773.660       225.6324 2662.701       189.8350 178.1144 7.418234 175.0636 6.350071 3.050812       9.764916 
1 1 1 -16 16 6  o 83.01105 11.17717 629.3970       154.4145 0.000000       0.000000 629.3970       154.4145 ?        ?        83.01105 11.17717 0.000000       11.17717 
1 1 1 -16 16 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 16 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 16 9  o 21.02287 9.193357 -9.729292      62.68091 88.92655       78.69959 -180.8793      103.6572 32.72044 11.43578 19.47813 9.508093 13.24232       14.87215 
1 1 1 -16 16 10 o 26.83366 10.56281 41.00609       71.06033 92.87458       77.36377 -238.9414      179.7315 33.05528 11.35039 27.01921 13.03001 6.036072       17.28041 
1 1 1 -16 16 11 f 45.18898 9.313113 187.7042       69.47707 182.2568       82.86552 200.5961       127.4793 44.08344 11.03369 45.97364 14.51683 -1.890198      18.23405 
1 1 1 -16 16 12 o 34.36108 9.566157 108.7429       58.19954 163.4370       65.06494 -110.1721      130.1711 42.07369 9.303051 25.42775 11.91652 16.64594       15.11788 
1 1 1 -16 16 13 o 98.17567 5.766778 840.4437       96.25607 893.0615       120.5478 747.8751       159.8913 100.7015 7.054602 90.41322 10.55462 10.28832       12.69518 
1 1 1 -16 16 14 o 164.7403 5.147051 2352.488       144.7972 2243.829       169.6154 2644.443       278.0292 160.3531 6.194212 171.3426 9.540003 -10.98947      11.37453 
1 1 1 -16 16 15 o 48.42150 16.51791 231.2208       163.8041 31.70458       283.6071 331.0951       200.6572 43.10486 19.17148 56.14721 18.26220 -13.04235      26.47742 
1 1 1 -16 16 16 o 81.23206 6.643945 583.2097       91.35619 614.8939       106.6807 496.0763       176.9118 82.99150 7.612334 70.10266 15.21495 12.88884       17.01300 
1 1 1 -16 16 17 o 32.82546 10.88790 97.37363       71.19542 139.2066       79.82232 -65.38352      157.4473 38.22530 11.38108 29.76553 13.65184 8.459770       17.77363 
1 1 1 -16 16 18 o 100.3119 5.783771 883.6284       98.65525 979.4075       116.4042 639.4090       185.8761 105.2431 6.508938 79.99940 14.12247 25.24365       15.55025 
1 1 1 -16 16 19 o 40.57344 10.63043 159.3714       74.53854 172.5554       83.43066 107.2241       165.9273 41.97783 11.36142 38.49538 15.78940 3.482449       19.45217 
1 1 1 -16 16 20 o 72.64787 6.918996 474.4557       84.79860 482.2041       99.55976 453.9814       161.8382 72.53934 8.180098 65.59785 14.79942 6.941490       16.90967 
1 1 1 -16 16 21 o 97.00594 5.798521 834.4266       95.61459 878.4756       113.9890 729.8651       175.6228 98.86835 6.792766 85.35492 12.41269 13.51344       14.14979 
1 1 1 -16 16 22 o 31.07494 10.05836 92.12169       60.91122 94.25279       67.11227 82.16203       145.0847 31.50709 10.57374 34.57161 14.52050 -3.064520      17.96243 
1 1 1 -16 16 23 o 19.08010 8.510125 -12.53590      56.30172 -38.08077      61.51204 119.3767       139.7821 18.21176 8.417649 36.40511 14.65312 -18.19334      16.89884 
1 1 1 -16 16 24 o 24.88473 9.544440 47.81243       56.85686 -0.7779744     62.03948 302.7295       142.0994 20.81317 9.122758 50.79853 15.19887 -29.98537      17.72654 
1 1 1 -16 16 25 o 40.65553 8.925124 162.7966       60.26506 185.4839       66.10149 51.07584       146.6855 43.28271 9.225260 31.67722 13.95235 11.60549       16.72643 
1 1 1 -16 17 1  o 52.21832 9.589116 252.1155       82.35629 170.2294       132.0067 304.2987       105.3796 42.76009 14.81831 56.75761 11.27000 -13.99752      18.61707 
1 1 1 -16 17 2  o 110.4058 5.091598 1056.573       95.99480 1094.247       144.8248 1027.049       128.2040 111.0652 7.683164 107.9338 6.993341 3.131355       10.38931 
1 1 1 -16 17 3  o 79.71237 5.996499 556.7064       81.02740 548.6982       116.0878 564.3143       113.1488 77.97769 8.876119 79.26896 8.490930 -1.291267      12.28338 
1 1 1 -16 17 4  o 165.3591 4.508371 2361.901       127.3063 2023.042       206.5950 2569.340       161.6422 150.9616 8.043038 171.9826 5.503872 -21.02098      9.745926 
1 1 1 -16 17 5  o 118.1507 4.934090 1208.518       99.55092 1275.297       150.0201 1155.976       133.0714 120.1682 7.345959 114.6492 6.827835 5.518990       10.02908 
1 1 1 -16 17 6  o 71.51456 6.086759 448.9606       73.62608 359.9603       105.6719 532.9276       102.6403 62.39306 10.27574 77.27783 7.888482 -14.88477      12.95449 
1 1 1 -16 17 7  o 107.8768 4.854301 1007.187       89.42451 1170.800       131.5583 866.6647       121.9215 115.4289 6.703109 99.00782 7.261878 16.42104       9.882639 
1 1 1 -16 17 8  o 43.15316 8.213069 170.1780       58.31189 189.3418       74.64094 140.1630       93.41250 45.00084 9.974981 38.81330 12.44491 6.187534       15.94917 
1 1 1 -16 17 9  o 33.88962 10.09792 106.0560       62.81990 168.6825       80.22297 6.776349       101.0067 42.16127 11.01958 27.52048 11.85420 14.64080       16.18497 
1 1 1 -16 17 10 o 94.16689 5.336603 772.7689       85.46253 850.3301       120.0368 693.0368       121.7050 97.98729 7.224650 87.95325 8.197609 10.03403       10.92686 
1 1 1 -16 17 11 o 111.9026 5.296238 1088.329       101.2068 1138.955       136.8924 1027.299       150.3017 113.4841 7.099569 107.0903 8.283279 6.393799       10.90947 
1 1 1 -16 17 12 o 30.52690 10.38803 81.18127       64.78444 98.94936       72.41870 9.986025       144.9626 33.14650 10.98040 32.17377 14.02760 0.9727287      17.81412 
1 1 1 -16 17 13 o 119.8639 5.461985 1252.081       111.7997 1327.398       149.2381 1155.753       168.7758 122.3345 7.175189 113.0563 8.811637 9.278130       11.36346 
1 1 1 -16 17 14 o 58.64583 8.063183 312.4780       78.61443 320.4929       85.75482 270.2738       196.7838 59.09458 8.763400 50.70479 18.05029 8.389790       20.06515 
1 1 1 -16 17 15 o 34.08167 10.36554 109.4017       65.69688 129.5713       72.54089 17.38906       154.9383 36.80502 10.82205 32.99968 14.44178 3.805344       18.04666 
1 1 1 -16 17 16 o 50.18747 14.49874 262.5813       131.2330 -354.1672      228.6176 565.6781       160.2678 27.84758 13.70089 75.56966 12.88121 -47.72207      18.80532 
1 1 1 -16 17 17 o 52.01626 7.921990 248.9533       68.14558 256.2560       75.55817 217.1170       157.7611 52.39161 8.754249 45.35960 16.16027 7.032005       18.37910 
1 1 1 -16 17 18 o 29.41496 9.799668 79.41733       57.65169 76.22182       62.82930 96.44347       145.0274 29.24751 10.21811 35.95180 14.75561 -6.704296      17.94820 
1 1 1 -16 17 19 o 21.99293 9.232039 15.87300       58.59387 46.61074       62.24125 -223.5703      173.7175 25.58951 9.939552 25.38486 12.37318 0.2046528      15.87105 
1 1 1 -16 17 20 o 31.31200 10.06787 93.98004       61.10342 62.94733       65.20222 317.7862       175.1009 27.59402 10.30115 51.45007 17.07553 -23.85604      19.94210 
1 1 1 -16 17 21 f 19.68847 8.471070 4.423618       51.46223 -6.301690      55.28080 74.10989       140.9104 19.39058 8.551677 33.51344 14.20523 -14.12287      16.58070 
1 1 1 -16 17 22 o 41.12642 10.04864 169.8766       69.97051 215.4847       79.73905 17.19280       145.8970 46.25345 10.35356 30.41074 13.62165 15.84271       17.10981 
1 1 1 -16 17 23 o 56.69125 7.857183 303.7365       74.01997 280.4555       84.89072 377.5753       151.1829 53.14947 9.711031 56.09798 15.34044 -2.948513      18.15580 
1 1 1 -16 18 1  o 64.62389 7.524289 377.2516       81.48032 456.1905       118.1713 305.7091       112.4990 69.63287 10.24409 55.72507 12.16355 13.90779       15.90262 
1 1 1 -16 18 2  o 25.61438 10.40455 33.10646       71.17590 32.16942       98.90475 34.11301       102.5077 28.65492 12.00974 29.16595 12.22536 -0.5110321     17.13748 
1 1 1 -16 18 3  o 70.86747 7.382532 451.1201       88.03017 199.9438       136.7918 628.6719       115.0094 44.63202 15.09527 83.32521 8.188436 -38.69319      17.17317 
1 1 1 -16 18 4  o 58.97309 6.699115 310.6370       66.26702 211.8949       101.3301 384.4241       87.59464 46.27366 12.51970 65.08430 8.053216 -18.81064      14.88614 
1 1 1 -16 18 5  o 33.94374 9.742898 108.4174       59.43222 86.29945       74.37254 147.4978       98.85961 31.54591 11.11096 39.20606 12.82168 -7.660154      16.96611 
1 1 1 -16 18 6  o 67.10313 6.332309 399.3755       71.70367 420.3856       103.3406 379.8694       99.57294 67.52515 9.201557 64.04932 9.382004 3.475838       13.14118 
1 1 1 -16 18 7  o 24.67379 9.795770 35.15018       61.60083 40.59696       80.21429 27.32015       96.17528 27.38052 11.07220 28.06582 11.80693 -0.6852989     16.18633 
1 1 1 -16 18 8  o 62.17835 6.987970 346.4348       72.91285 276.2921       96.55663 439.4991       111.2198 53.67462 10.90636 68.71320 9.752156 -15.03858      14.63056 
1 1 1 -16 18 9  o 46.84705 9.224265 205.8171       71.16672 173.1598       86.72833 273.1320       124.5163 42.07138 11.66530 51.77824 13.82328 -9.706863      18.08763 
1 1 1 -16 18 10 o 72.41765 6.461451 466.3987       79.06611 351.8728       98.87860 669.4755       131.6681 61.24851 9.782970 85.24806 9.189999 -23.99955      13.42247 
1 1 1 -16 18 11 o 34.26726 10.27337 111.6247       64.87440 153.8891       78.99578 24.07136       113.6982 39.72041 11.17581 29.47233 12.63351 10.24808       16.86726 
1 1 1 -16 18 12 o 70.68015 6.959192 448.7051       82.90649 544.4916       110.4265 324.9602       125.5119 77.00307 8.541670 56.50610 13.23899 20.49697       15.75535 
1 1 1 -16 18 13 o 85.09387 6.794792 648.7004       97.91282 657.1666       108.6568 612.1295       225.8295 85.19093 7.547107 72.86454 18.20233 12.32639       19.70491 
1 1 1 -16 18 14 o 36.57359 10.84356 130.9308       72.57379 114.9580       85.94193 170.6314       135.4919 34.78426 11.96203 41.11747 14.93478 -6.333202      19.13472 
1 1 1 -16 18 15 o 58.50750 7.881248 315.5632       76.73903 270.8897       87.42588 465.5152       160.1737 52.96983 10.03247 66.04381 14.59123 -13.07398      17.70747 
1 1 1 -16 18 16 o 71.63827 7.272734 467.3648       87.73672 461.5903       98.82275 488.8571       190.6521 70.49569 8.372753 64.87464 17.00310 5.621048       18.95279 
1 1 1 -16 18 17 o 41.21869 15.12706 179.5986       139.5194 323.5539       224.4771 88.98436       178.0969 50.47673 19.05833 36.67903 15.76956 13.79771       24.73659 
1 1 1 -16 18 18 o 49.99851 9.015859 239.6788       74.14597 296.5209       85.52752 67.72530       148.7566 55.51325 9.354675 33.68176 14.44459 21.83149       17.20919 
1 1 1 -16 18 19 o 35.58328 10.25787 127.1083       65.75247 145.5490       74.13427 59.11176       142.3555 37.76136 10.89391 32.47355 14.03004 5.287804       17.76287 
1 1 1 -16 18 20 o 59.66633 7.717051 333.7937       76.78656 314.8416       84.80560 420.0292       180.8999 57.04517 9.004444 57.28959 17.15060 -0.2444153     19.37067 
1 1 1 -16 19 1  o 56.85452 7.749125 296.7506       73.27522 221.0497       119.7887 342.0127       92.62601 45.81604 14.00995 60.22898 9.305821 -14.41294      16.81895 
1 1 1 -16 19 2  o 113.1259 5.013529 1119.363       96.85174 1195.269       147.9789 1062.481       128.0998 114.9431 7.581598 108.8535 6.927375 6.089630       10.26982 
1 1 1 -16 19 3  o 38.69152 10.34252 145.8490       69.64912 -41.44695      114.9713 254.4338       87.54066 25.73948 11.75295 51.31017 10.34802 -25.57069      15.65929 
1 1 1 -16 19 4  o 40.63032 10.07376 160.1048       69.54831 207.2087       97.74107 111.7962       98.98301 45.24845 12.31846 35.01299 12.75778 10.23547       17.73430 
1 1 1 -16 19 5  o 111.0796 5.271741 1081.651       99.99771 1059.238       143.8227 1102.626       139.1303 107.9917 7.852691 110.5479 7.412950 -2.556259      10.79892 
1 1 1 -16 19 6  o 93.50539 5.415953 770.0771       86.10925 835.2673       117.7582 695.1613       126.2372 96.27801 7.214923 86.81773 8.629182 9.460274       11.24802 
1 1 1 -16 19 7  o 66.57528 6.675913 398.3502       74.87470 503.4837       104.0957 285.6470       107.7780 73.90230 8.397567 53.29723 12.11634 20.60507       14.74194 
1 1 1 -16 19 8  o 58.96206 7.796199 319.1181       76.57266 291.8304       96.53210 365.4264       125.7526 54.73008 10.71216 60.02354 12.66660 -5.293468      16.58895 
1 1 1 -16 19 9  o 38.10858 11.21576 143.8349       77.88296 120.8523       101.2925 177.0712       121.8103 35.80927 12.92742 41.45993 14.24207 -5.650665      19.23421 
1 1 1 -16 19 10 o 50.12399 9.752662 241.5591       80.47334 226.8712       104.3745 263.0884       126.3658 46.88827 12.71492 49.58706 14.19898 -2.698784      19.05992 
1 1 1 -16 19 11 o 55.42700 8.881080 289.4248       81.22161 302.9332       104.2996 268.6108       129.4668 55.11832 11.45508 49.85113 14.40063 5.267189       18.40101 
1 1 1 -16 19 12 o 29.08878 10.75735 71.83303       70.77560 -33.45851      89.63908 246.1320       115.3315 22.83492 10.40766 48.14702 13.48851 -25.31210      17.03700 
1 1 1 -16 19 13 o 31.04981 10.79549 89.80743       70.08972 99.67783       83.34626 65.96851       129.5274 32.68117 11.73510 32.61284 13.71000 0.6832886E-01  18.04652 
1 1 1 -16 19 14 o 27.43704 10.58182 58.67408       70.15692 104.9119       88.51102 -19.47363      115.0686 33.27387 12.07321 26.34674 11.92293 6.927132       16.96816 
1 1 1 -16 19 15 o 66.95956 7.455688 413.9571       83.80397 446.2600       94.10278 290.1370       184.2372 69.07104 8.134115 48.16594 17.42747 20.90510       19.23228 
1 1 1 -16 19 16 o 28.42706 10.77878 68.88231       71.99582 43.55578       82.87144 146.8252       145.3802 26.91220 11.11200 37.90240 15.04835 -10.99020      18.70640 
1 1 1 -16 19 17 o 70.74066 6.639559 457.0138       79.26814 458.5670       91.57983 452.3741       158.2832 70.02874 7.790138 62.66608 14.99219 7.362663       16.89532 
1 1 1 -16 20 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 20 5  o 46.01794 10.70190 212.0268       82.50942 132.2384       111.0624 310.3042       123.2605 36.56995 13.48507 53.80738 13.45107 -17.23743      19.04675 
1 1 1 -16 20 6  o 34.14534 11.15759 115.3339       74.86903 175.0323       91.58487 -4.932471      129.9914 41.00526 12.18675 28.49784 12.80470 12.50742       17.67702 
1 1 1 -16 20 7  o 41.24651 8.629318 163.1886       58.82797 187.1754       69.47942 102.4480       110.5630 43.74577 9.567180 33.91731 13.22705 9.828461       16.32439 
1 1 1 -16 20 8  o 77.02280 6.171014 533.4377       80.48508 457.0998       101.3216 663.9758       132.4952 69.55984 8.721588 83.28227 9.485581 -13.72243      12.88574 
1 1 1 -16 20 9  o 90.08414 5.758250 724.5445       88.11780 749.7219       113.7438 686.7521       139.3556 90.34864 7.438413 84.27104 9.870751 6.077599       12.35968 
1 1 1 -16 20 10 o 65.79643 6.472308 392.6458       71.78058 356.3193       89.74188 457.1617       119.5960 61.15165 8.851228 67.90015 10.66599 -6.748501      13.86029 
1 1 1 -15 0  1  o 547.2819 12.85585 25692.76       1199.975 25692.76       1199.975 25692.76       1199.975 547.2819 12.85585 547.2819 12.85585 0.000000       0.000000 
1 1 1 -15 0  2  o 56.08843 12.07577 303.6032       101.4982 303.6032       101.4982 303.6032       101.4982 56.08843 12.07577 56.08843 12.07577 0.000000       0.000000 
1 1 1 -15 0  3  o 779.9254 16.31664 52241.98       2170.983 52241.98       2170.983 52241.98       2170.983 779.9254 16.31664 779.9254 16.31664 0.000000       0.000000 
1 1 1 -15 0  4  o 521.0927 34.06280 23926.76       3001.368 23926.76       3001.368 23926.76       3001.368 521.0927 34.06280 521.0927 34.06280 0.000000       0.000000 
1 1 1 -15 0  5  o 70.06479 16.93900 487.3120       175.6885 487.3120       175.6885 487.3120       175.6885 70.06479 16.93900 70.06479 16.93900 0.000000       0.000000 
1 1 1 -15 0  6  o 260.0900 28.68140 6059.107       1234.338 6059.107       1234.338 6059.107       1234.338 260.0900 28.68140 260.0900 28.68140 0.000000       0.000000 
1 1 1 -15 0  7  o 225.1038 26.35874 4549.286       976.9012 4549.286       976.9012 4549.286       976.9012 225.1038 26.35874 225.1038 26.35874 0.000000       0.000000 
1 1 1 -15 0  8  o 505.0058 49.00489 23253.92       4134.708 23253.92       4134.708 23253.92       4134.708 505.0058 49.00489 505.0058 49.00489 0.000000       0.000000 
1 1 1 -15 0  9  o 370.0076 37.12756 12312.84       2291.726 12312.84       2291.726 12312.84       2291.726 370.0076 37.12756 370.0076 37.12756 0.000000       0.000000 
1 1 1 -15 0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  14 o 194.0387 24.31265 3404.702       771.3449 3404.702       771.3449 3404.702       771.3449 194.0387 24.31265 194.0387 24.31265 0.000000       0.000000 
1 1 1 -15 0  15 o 446.2941 44.47309 18374.74       3312.171 18374.74       3312.171 18374.74       3312.171 446.2941 44.47309 446.2941 44.47309 0.000000       0.000000 
1 1 1 -15 0  16 o 385.7451 9.455120 12763.39       621.9845 12763.39       621.9845 12763.39       621.9845 385.7451 9.455120 385.7451 9.455120 0.000000       0.000000 
1 1 1 -15 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  18 o 205.9236 25.50040 3876.180       859.7567 3876.180       859.7567 3876.180       859.7567 205.9236 25.50040 205.9236 25.50040 0.000000       0.000000 
1 1 1 -15 0  19 o 331.0098 10.05686 9429.017       567.2791 9429.017       567.2791 9429.017       567.2791 331.0098 10.05686 331.0098 10.05686 0.000000       0.000000 
1 1 1 -15 0  20 o 153.0821 7.332917 2021.020       190.6890 2021.020       190.6890 2021.020       190.6890 153.0821 7.332917 153.0821 7.332917 0.000000       0.000000 
1 1 1 -15 0  21 o 11.96077 8.390543 -69.66145      65.18861 -69.66145      65.18861 -69.66145      65.18861 11.96077 8.390543 11.96077 8.390543 0.000000       0.000000 
1 1 1 -15 0  22 o 36.09261 18.18709 167.6331       138.4891 167.6331       138.4891 167.6331       138.4891 36.09261 18.18709 36.09261 18.18709 0.000000       0.000000 
1 1 1 -15 0  23 o 23.66288 13.47362 63.38097       85.01869 63.38097       85.01869 63.38097       85.01869 23.66288 13.47362 23.66288 13.47362 0.000000       0.000000 
1 1 1 -15 0  24 o 112.8382 7.682717 1108.419       146.4624 1108.419       146.4624 1108.419       146.4624 112.8382 7.682717 112.8382 7.682717 0.000000       0.000000 
1 1 1 -15 0  25 o 36.16740 14.92462 159.2862       91.40044 159.2862       91.40044 159.2862       91.40044 36.16740 14.92462 36.16740 14.92462 0.000000       0.000000 
1 1 1 -15 0  26 o 11.43085 8.211996 -129.3390      77.21938 -129.3390      77.21938 -129.3390      77.21938 11.43085 8.211996 11.43085 8.211996 0.000000       0.000000 
1 1 1 -15 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  28 o 179.7718 9.046456 2810.865       276.1121 2810.865       276.1121 2810.865       276.1121 179.7718 9.046456 179.7718 9.046456 0.000000       0.000000 
1 1 1 -15 0  29 o 57.07140 18.62161 366.7593       160.7090 366.7593       160.7090 366.7593       160.7090 57.07140 18.62161 57.07140 18.62161 0.000000       0.000000 
1 1 1 -15 0  30 o 15.30801 10.88518 -161.8086      122.5952 -161.8086      122.5952 -161.8086      122.5952 15.30801 10.88518 15.30801 10.88518 0.000000       0.000000 
1 1 1 -15 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  32 o 100.3824 8.511767 898.2980       143.4945 898.2980       143.4945 898.2980       143.4945 100.3824 8.511767 100.3824 8.511767 0.000000       0.000000 
1 1 1 -15 0  33 o 95.47251 8.537165 818.3250       136.6259 818.3250       136.6259 818.3250       136.6259 95.47251 8.537165 95.47251 8.537165 0.000000       0.000000 
1 1 1 -15 0  34 o 18.76324 12.21045 3.492609       94.39595 3.492609       94.39595 3.492609       94.39595 18.76324 12.21045 18.76324 12.21045 0.000000       0.000000 
1 1 1 -15 0  35 o 222.0094 6.919241 4340.339       261.7433 4340.339       261.7433 4340.339       261.7433 222.0094 6.919241 222.0094 6.919241 0.000000       0.000000 
1 1 1 -15 0  36 o 90.14737 8.556106 745.8401       128.9878 745.8401       128.9878 745.8401       128.9878 90.14737 8.556106 90.14737 8.556106 0.000000       0.000000 
1 1 1 -15 0  37 o 27.63687 17.85866 86.73563       197.1896 86.73563       197.1896 86.73563       197.1896 27.63687 17.85866 27.63687 17.85866 0.000000       0.000000 
1 1 1 -15 1  1  o 203.0944 4.830134 3524.850       167.5171 3332.517       229.4327 3744.452       245.1582 197.3923 6.806489 209.2340 6.861392 -11.84166      9.664729 
1 1 1 -15 1  2  f 529.5138 8.808452 24006.03       796.4872 25405.33       1125.100 22600.22       1127.711 544.0636 12.10987 512.9764 12.87355 31.08716       17.67420 
1 1 1 -15 1  3  o 542.9921 13.22243 25326.84       1226.045 25004.84       1319.259 27367.00       3320.685 539.2469 14.32651 553.3297 35.32760 -14.08276      38.12202 
1 1 1 -15 1  4  o 332.2254 6.718164 9438.571       381.1407 10010.56       417.6477 6589.211       932.1620 342.1091 7.148972 275.2373 19.96861 66.87173       21.20974 
1 1 1 -15 1  5  o 428.2961 23.02877 15987.81       1678.105 16615.99       2907.072 15673.89       2055.071 427.9502 40.25263 421.6965 28.70896 6.253723       49.44167 
1 1 1 -15 1  6  o 382.0681 20.72292 12681.49       1346.996 11890.15       2331.518 13077.94       1650.275 362.5544 38.23517 386.4648 25.14282 -23.91043      45.76122 
1 1 1 -15 1  7  o 510.0969 27.08537 22836.04       2350.879 22903.68       4070.457 22802.19       2879.716 496.3158 48.65231 506.1116 33.50933 -9.795807      59.07557 
1 1 1 -15 1  8  o 473.2625 31.34038 19858.65       2518.507 19706.27       3561.197 20011.13       3562.217 462.0216 45.73771 465.8973 45.34904 -3.875732      64.40865 
1 1 1 -15 1  9  o 282.4868 20.47468 6950.650       980.9783 7630.991       1387.267 6270.219       1387.358 293.6208 28.00716 264.7288 31.29459 28.89200       41.99706 
1 1 1 -15 1  10 o 415.7051 41.12860 15805.04       2881.351 15805.04       2881.351 0.000000       0.000000 415.7051 41.12860 ?        ?        0.000000       41.12860 
1 1 1 -15 1  11 o 156.1682 22.25153 2162.320       576.6277 2162.320       576.6277 0.000000       0.000000 156.1682 22.25153 ?        ?        0.000000       22.25153 
1 1 1 -15 1  12 o 273.4471 29.22351 6674.332       1343.476 6674.332       1343.476 0.000000       0.000000 273.4471 29.22351 ?        ?        0.000000       29.22351 
1 1 1 -15 1  13 f 377.1510 37.90866 13015.29       2408.432 0.000000       0.000000 13015.29       2408.432 ?        ?        377.1510 37.90866 0.000000       37.90866 
1 1 1 -15 1  14 o 118.1339 19.75830 1244.924       384.5126 0.000000       0.000000 1244.924       384.5126 ?        ?        118.1339 19.75830 0.000000       19.75830 
1 1 1 -15 1  15 f 168.4082 22.07474 2524.985       619.5472 0.000000       0.000000 2524.985       619.5472 ?        ?        168.4082 22.07474 0.000000       22.07474 
1 1 1 -15 1  16 o 93.70537 13.34991 772.9293       207.5816 765.6968       299.1450 779.6463       288.2856 91.90478 19.65571 92.92445 18.81269 -1.019669      27.20780 
1 1 1 -15 1  17 o 329.4095 6.389385 9292.969       359.4157 8903.547       513.7045 9666.396       503.0444 321.8817 9.345773 335.5142 8.779980 -13.63251      12.82309 
1 1 1 -15 1  18 o 257.4946 6.762806 5683.623       297.3699 5678.787       403.9977 5689.341       439.3069 256.9528 9.207116 257.0212 10.00915 -0.6842041E-01 13.59978 
1 1 1 -15 1  19 o 179.5893 7.865460 2771.378       241.2162 2758.901       658.2894 2773.314       259.2479 173.9663 22.70003 179.5635 8.454642 -5.597198      24.22339 
1 1 1 -15 1  20 o 103.0353 8.253963 919.6710       144.0088 713.4044       286.6284 989.3201       166.5570 87.78312 19.61484 106.7038 9.231676 -18.92072      21.67869 
1 1 1 -15 1  21 o 51.75405 10.14084 239.7279       86.41791 270.5927       113.2912 196.7790       133.6412 54.66080 12.41948 47.39975 14.84856 7.261055       19.35777 
1 1 1 -15 1  22 o 161.8654 5.861178 2249.128       162.0097 2364.629       240.6114 2153.334       219.1255 165.2561 8.555533 157.7803 8.160683 7.475784       11.82345 
1 1 1 -15 1  23 o 58.01454 9.927625 300.2201       94.81644 385.2083       119.4886 155.7141       155.8081 65.61286 11.05753 44.71606 16.04619 20.89680       19.48716 
1 1 1 -15 1  24 o 309.4387 6.180805 8237.898       326.6040 7921.969       452.2625 8582.230       472.1551 302.2963 8.761045 314.6271 8.787930 -12.33087      12.40901 
1 1 1 -15 1  25 o 91.33163 8.600413 729.8640       132.5554 544.9949       195.3054 887.7546       180.4929 76.69827 15.44591 100.1834 10.71645 -23.48514      18.79943 
1 1 1 -15 1  26 f 149.1164 18.22525 2069.828       454.4297 2966.891       625.6653 1068.214       661.1206 176.4282 21.19087 98.33801 33.18608 78.09016       39.37473 
1 1 1 -15 1  27 o 69.20274 10.95405 430.3151       125.1393 453.2447       177.5080 407.6594       176.4443 69.64210 15.34041 65.84648 15.87677 3.795616       22.07713 
1 1 1 -15 1  28 o 49.69884 17.58852 209.8777       186.5813 209.8777       186.5813 0.000000       0.000000 49.69884 17.58852 ?        ?        0.000000       17.58852 
1 1 1 -15 1  29 o 26.03581 11.22509 -2.676242      90.74014 27.53005       132.5529 -29.31487      124.4791 33.03190 13.87680 28.81192 12.76315 4.219978       18.85374 
1 1 1 -15 1  30 o 76.74003 7.558008 519.8272       97.75917 526.4678       138.7895 513.2884       137.7214 75.88667 11.03316 74.88203 11.10683 1.004646       15.65542 
1 1 1 -15 1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 1  32 f 27.20345 11.32757 26.61861       87.16836 11.29866       113.8737 48.30012       135.4689 29.16580 12.57469 33.55723 14.05946 -4.391432      18.86243 
1 1 1 -15 1  33 o 24.26712 10.27703 14.04716       73.65040 -63.56610      111.9178 73.33340       97.81558 24.62433 11.37201 31.84616 12.43513 -7.221823      16.85096 
1 1 1 -15 1  34 o 103.2578 5.831860 942.7826       102.4122 914.3568       141.7826 973.7933       148.0887 99.87979 8.390462 103.0055 8.494757 -3.125664      11.93988 
1 1 1 -15 1  35 f 27.37871 11.73765 26.68375       98.16879 -25.81613      118.1950 143.4512       176.2710 26.37646 11.99438 39.22383 16.20166 -12.84736      20.15835 
1 1 1 -15 1  36 o 73.41300 9.126113 517.7859       111.9403 587.0887       137.8136 383.3981       191.9096 76.56693 10.84332 53.93499 17.87518 22.63194       20.90693 
1 1 1 -15 1  37 o 39.07943 13.48261 175.2399       109.2230 263.4825       129.0295 -47.84012      205.1541 46.56355 14.59068 30.78026 14.58767 15.78329       20.63221 
1 1 1 -15 2  1  o 174.0702 6.109929 2590.840       181.6195 2614.589       198.9244 2471.877       445.2087 174.8427 6.662524 168.6595 15.63572 6.183182       16.99603 
1 1 1 -15 2  2  o 346.7592 8.727855 10295.27       516.8177 10262.24       557.9894 10494.65       1370.878 346.1205 9.440536 346.4224 23.30904 -0.3018494     25.14826 
1 1 1 -15 2  3  o 169.8085 6.171299 2465.359       178.9525 2508.338       199.1097 2284.750       408.1631 171.2570 6.808355 162.2733 14.89567 8.983673       16.37787 
1 1 1 -15 2  4  o 251.4158 8.186810 5409.767       351.4870 5187.385       385.7768 6496.515       852.8077 246.1198 9.178838 273.6289 18.35740 -27.50909      20.52426 
1 1 1 -15 2  5  o 502.1943 9.392260 21599.86       805.4597 22334.61       874.4266 17485.45       2069.219 510.5544 10.02950 445.9988 27.30025 64.55557       29.08427 
1 1 1 -15 2  6  o 375.2497 8.269176 12051.76       529.8885 12650.18       580.3618 9053.336       1299.099 384.3875 8.841534 321.6177 23.82320 62.76978       25.41097 
1 1 1 -15 2  7  o 243.5506 15.38217 5126.812       636.4609 5590.478       1096.131 4890.979       781.7410 251.6904 25.87142 236.9834 19.48989 14.70705       32.39114 
1 1 1 -15 2  8  o 104.8259 21.38223 987.0764       369.7891 0.000000       0.000000 987.0764       369.7891 ?        ?        104.8259 21.38223 0.000000       21.38223 
1 1 1 -15 2  9  o 439.1956 43.33354 17744.46       3207.640 17744.46       3207.640 0.000000       0.000000 439.1956 43.33354 ?        ?        0.000000       43.33354 
1 1 1 -15 2  10 o 307.4988 31.72348 8462.095       1641.884 8462.095       1641.884 0.000000       0.000000 307.4988 31.72348 ?        ?        0.000000       31.72348 
1 1 1 -15 2  11 o 541.6429 54.44622 28198.54       4967.757 28198.54       4967.757 0.000000       0.000000 541.6429 54.44622 ?        ?        0.000000       54.44622 
1 1 1 -15 2  12 o 268.1793 19.95737 6277.031       907.4229 6036.321       1285.699 6515.944       1280.894 259.6530 29.52120 270.4335 28.14896 -10.78058      40.79050 
1 1 1 -15 2  13 o 210.9149 16.66341 3869.497       595.2804 4054.829       850.0892 3691.177       833.8527 213.9976 23.65804 203.8183 24.44536 10.17926       34.01880 
1 1 1 -15 2  14 o 283.7378 20.88737 7061.503       1004.936 6906.678       1426.937 7213.860       1415.521 276.3976 30.75356 283.0418 29.73048 -6.644196      42.77479 
1 1 1 -15 2  15 o 211.9244 8.944818 3852.553       323.7087 0.000000       0.000000 3852.553       323.7087 ?        ?        211.9244 8.944818 0.000000       8.944818 
1 1 1 -15 2  16 o 94.15600 10.68952 772.3172       168.8270 985.6208       321.9194 691.3943       198.2821 104.7540 18.68102 88.46181 13.55805 16.29224       23.08249 
1 1 1 -15 2  17 o 249.4400 7.383099 5335.011       314.4899 4548.598       902.7004 5443.646       335.5094 224.8004 23.88066 251.9054 7.799473 -27.10497      25.12206 
1 1 1 -15 2  18 o 69.00905 9.393044 417.2401       107.8156 440.1926       152.7410 394.4474       152.2089 70.14059 13.23749 66.19123 13.90798 3.949356       19.20060 
1 1 1 -15 2  19 o 43.02888 11.72565 165.6215       88.50938 184.0730       122.8473 145.7047       127.6321 45.95078 14.21048 42.54162 14.58018 3.409153       20.35975 
1 1 1 -15 2  20 o 175.6102 6.705985 2648.091       201.1010 2771.613       292.0476 2536.711       277.3229 178.8828 9.595565 171.1296 9.527607 7.753235       13.52221 
1 1 1 -15 2  21 f 23.04709 9.562697 11.65251       61.80655 58.35673       78.72935 -63.36547      99.77950 30.03044 11.29798 24.01182 10.95821 6.018618       15.73934 
1 1 1 -15 2  22 o 125.5781 6.993910 1361.230       149.3857 1518.833       307.7898 1312.664       170.8593 130.6397 14.01573 123.0655 8.176716 7.574211       16.22650 
1 1 1 -15 2  23 o 100.4793 6.594190 872.5112       112.5184 845.2080       166.1000 895.6657       152.9609 98.10862 10.05636 101.3099 8.932958 -3.201263      13.45095 
1 1 1 -15 2  24 o 165.5864 7.017903 2364.436       198.4422 2395.253       440.1166 2356.572       222.3238 162.6374 16.05655 165.0971 7.885781 -2.459702      17.88850 
1 1 1 -15 2  25 f 176.6029 4.992672 2677.789       150.5681 2488.150       191.8185 2982.192       243.0248 169.8808 6.612175 185.6752 7.664692 -15.79443      10.12267 
1 1 1 -15 2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2  27 o 201.9627 5.626192 3510.415       194.0384 3574.266       255.9708 3424.156       297.5148 203.2151 7.376198 198.3430 8.783948 4.872025       11.47022 
1 1 1 -15 2  28 o 119.0966 6.297000 1227.765       127.6112 1117.261       176.6983 1348.234       184.4930 112.6972 9.263574 124.0477 8.765856 -11.35050      12.75359 
1 1 1 -15 2  29 o 83.26467 7.857630 609.5700       110.4050 583.8393       141.0993 650.1979       177.3012 80.57172 10.50503 84.15569 12.73565 -3.583961      16.50916 
1 1 1 -15 2  30 o 27.52237 11.69695 11.55734       95.96597 72.74261       127.5757 -68.18732      145.6449 35.22474 14.06156 29.11513 13.26862 6.109617       19.33348 
1 1 1 -15 2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2  32 o 102.0700 6.213569 915.6952       107.7876 968.7557       137.5357 831.2239       173.5340 104.1610 7.788663 94.45196 10.96288 9.709030       13.44798 
1 1 1 -15 2  33 o 27.00551 10.80539 42.84239       75.51887 -36.45113      105.4928 126.1910       108.1566 25.12986 11.39018 37.18041 13.36628 -12.05055      17.56114 
1 1 1 -15 2  34 f 60.19221 8.674359 337.4502       86.58760 315.7986       117.0683 363.6007       128.6572 55.76262 12.59187 59.64867 12.99812 -3.886059      18.09714 
1 1 1 -15 2  35 o 24.78498 11.25503 -25.46419      103.6130 -48.62879      112.5105 103.8608       265.8410 24.64725 11.38943 40.17667 18.15730 -15.52942      21.43378 
1 1 1 -15 2  36 o 48.43524 13.72235 262.8805       118.6713 287.4170       132.0528 159.8885       270.5471 49.89176 14.58177 40.97665 18.43649 8.915112       23.50600 
1 1 1 -15 2  37 o 39.87918 13.96402 187.0604       117.3705 142.6850       130.5808 373.6902       267.7927 36.11203 14.28576 46.98690 19.73084 -10.87487      24.35958 
1 1 1 -15 3  1  o 391.4479 9.295943 13129.86       621.3973 13287.44       674.2094 12240.61       1601.625 393.6757 10.02892 372.9650 25.29686 20.71069       27.21232 
1 1 1 -15 3  2  o 486.8390 11.33991 20338.12       942.7505 20496.49       1021.021 19422.32       2455.201 488.5303 12.23887 467.4054 30.93528 21.12494       33.26832 
1 1 1 -15 3  3  o 189.6116 6.333203 3074.370       205.0644 3106.893       226.2882 2924.984       484.9804 190.5824 6.953079 183.6015 15.61674 6.980927       17.09467 
1 1 1 -15 3  4  o 360.3076 8.009192 11110.82       492.7924 11398.63       535.9531 9536.722       1253.408 364.8782 8.601554 330.4598 22.34246 34.41843       23.94102 
1 1 1 -15 3  5  o 151.4164 6.208711 1960.336       160.5374 2004.323       179.9258 1788.600       355.5194 153.0810 6.882881 143.4298 14.72405 9.651199       16.25336 
1 1 1 -15 3  6  o 125.3384 6.969339 1347.878       148.5795 1448.298       162.2658 826.7993       369.6327 129.9046 7.344855 95.61494 22.93335 34.28967       24.08081 
1 1 1 -15 3  7  o 282.7687 8.037083 6843.429       388.0894 6904.012       407.7734 6260.974       1264.369 283.9855 8.408545 265.5030 28.32427 18.48254       29.54603 
1 1 1 -15 3  8  o 138.8730 7.666760 1655.332       181.1115 1721.814       196.5653 1281.699       465.9893 141.5940 8.164046 119.2672 23.71485 22.32681       25.08078 
1 1 1 -15 3  9  o 123.8236 14.25217 1336.434       295.8625 1353.328       406.2964 1317.362       431.6820 123.4515 19.95345 121.3903 21.61711 2.061264       29.41836 
1 1 1 -15 3  10 o 621.0334 64.29523 38614.29       6719.845 38614.29       6719.845 0.000000       0.000000 621.0334 64.29523 ?        ?        0.000000       64.29523 
1 1 1 -15 3  11 o 125.2670 14.20889 1368.135       298.5708 1228.487       428.8093 1499.544       415.9693 116.8855 22.29697 130.1604 19.29927 -13.27484      29.48926 
1 1 1 -15 3  12 o 266.1711 28.52829 6334.260       1276.490 0.000000       0.000000 6334.260       1276.490 ?        ?        266.1711 28.52829 0.000000       28.52829 
1 1 1 -15 3  13 o 316.3481 21.40153 8775.253       1149.342 9686.982       1629.686 7873.018       1621.179 328.7682 29.33585 294.4042 32.80450 34.36398       44.00826 
1 1 1 -15 3  14 o 210.2158 7.906680 3786.254       283.8321 2972.246       775.3931 3912.201       305.0005 181.6769 25.71106 213.6399 8.360193 -31.96297      27.03611 
1 1 1 -15 3  15 o 237.4893 8.608564 4838.356       349.1215 6029.883       1019.501 4680.066       371.5883 260.4257 23.16653 233.4781 9.319959 26.94759       24.97098 
1 1 1 -15 3  16 o 103.8320 9.864401 935.1871       172.8050 1166.593       386.0923 877.2189       193.2408 113.5259 20.67747 100.2444 11.49637 13.28142       23.65849 
1 1 1 -15 3  17 o 87.19757 10.00812 662.9998       146.3250 815.3950       280.9016 606.2479       171.4190 94.99279 17.97489 82.83310 12.50826 12.15969       21.89871 
1 1 1 -15 3  18 o 24.58879 9.859837 24.79936       63.03015 63.74564       78.94849 -43.66138      104.6723 30.70059 11.35989 25.88101 11.56912 4.819576       16.21393 
1 1 1 -15 3  19 o 97.19521 7.175165 815.7492       118.2489 753.9634       170.3556 873.1987       164.2690 92.70737 10.97363 100.1245 9.730472 -7.417107      14.66638 
1 1 1 -15 3  20 o 299.6911 6.256881 7708.629       320.2091 7410.432       454.1947 8003.305       451.5053 292.9993 9.077653 304.6365 8.679188 -11.63721      12.55914 
1 1 1 -15 3  21 o 269.9419 6.489219 6260.853       299.1332 6027.752       417.9243 6505.723       428.3447 264.0126 9.269816 274.3273 9.143709 -10.31473      13.02063 
1 1 1 -15 3  22 o 55.57393 10.98115 278.0252       100.5173 335.3303       211.2294 261.2496       114.2869 60.61703 18.61534 53.54981 12.69174 7.067219       22.53023 
1 1 1 -15 3  23 o 112.3556 6.174056 1088.834       118.0044 1096.778       174.3571 1082.119       160.2951 112.0877 9.190016 111.5118 8.481353 0.5758667      12.50559 
1 1 1 -15 3  24 f 68.25467 7.981408 408.3183       91.27130 411.9373       133.7692 405.1660       124.8465 67.51437 12.04443 67.15449 11.28719 0.3598785      16.50663 
1 1 1 -15 3  25 o 61.87632 13.86159 353.5602       142.8319 350.5584       161.6781 364.2311       304.8345 61.27483 15.45374 63.80962 22.49241 -2.534794      27.28968 
1 1 1 -15 3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 3  27 o 78.26196 8.440370 538.4468       111.0161 548.1393       159.9096 529.4288       154.2446 77.71281 12.47161 76.43094 12.23023 1.281868       17.46767 
1 1 1 -15 3  28 o 152.3148 5.556763 1998.649       144.5327 1929.429       193.6663 2085.668       217.1422 148.8793 7.643360 154.5605 8.256927 -5.681198      11.25157 
1 1 1 -15 3  29 o 140.5800 5.839841 1708.535       140.1931 1857.664       182.4990 1493.837       218.9739 145.8882 7.349102 129.5852 9.972017 16.30307       12.38751 
1 1 1 -15 3  30 o 44.62481 11.64800 187.5525       89.71132 104.6697       120.9835 288.7913       133.7111 37.10252 13.99557 54.58006 14.20773 -17.47754      19.94331 
1 1 1 -15 3  31 o 57.26472 14.05981 322.5549       136.4787 322.5549       136.4787 0.000000       0.000000 57.26472 14.05981 ?        ?        0.000000       14.05981 
1 1 1 -15 3  32 o 31.71950 12.23905 72.97351       93.88588 116.5629       117.6867 -3.327649      155.7049 37.12168 13.84307 32.34618 14.30429 4.775501       19.90586 
1 1 1 -15 3  33 o 95.81107 6.238411 812.3693       101.5119 839.7196       133.6550 775.0844       156.0524 96.20058 8.214644 90.96392 10.22322 5.236656       13.11467 
1 1 1 -15 3  34 o 28.60559 11.52941 52.68003       86.66515 79.87871       98.63512 -39.42166      181.5062 31.87742 12.47608 31.75934 14.60001 0.1180763      19.20450 
1 1 1 -15 3  35 o 35.08112 13.24942 118.4361       108.5122 126.0105       124.0352 93.72939       224.0163 36.19335 14.03889 38.17799 17.00557 -1.984642      22.05175 
1 1 1 -15 3  36 o 34.35030 13.00925 117.1677       104.7965 31.12541       118.3690 429.1429       225.3938 28.90910 12.63801 54.31419 19.31977 -25.40509      23.08621 
1 1 1 -15 3  37 o 31.97555 12.89102 95.96861       108.3745 132.1853       123.6453 -24.08525      225.1185 35.12963 13.89991 32.20567 15.26836 2.923962       20.64776 
1 1 1 -15 4  1  o 276.5341 7.647028 6547.066       361.1131 5219.819       1227.084 6672.910       377.8451 240.4211 30.58023 279.1510 7.926338 -38.72993      31.59078 
1 1 1 -15 4  2  o 123.8927 5.938320 1312.579       125.6352 1330.568       141.9858 1247.692       269.6674 124.5334 6.701282 119.6855 13.42572 4.847900       15.00524 
1 1 1 -15 4  3  f 454.6175 10.79332 17731.41       837.9214 17773.91       907.8680 17487.06       2176.940 454.9751 11.68512 444.1603 28.85799 10.81476       31.13400 
1 1 1 -15 4  4  o 219.2100 7.575909 4112.359       283.5939 3974.402       310.1720 4815.428       700.2134 215.4427 8.430801 235.4052 17.54455 -19.96249      19.46508 
1 1 1 -15 4  5  o 429.8847 10.36450 15845.93       760.8559 15911.28       824.8359 15473.01       1970.328 430.6143 11.21701 418.5468 27.72420 12.06747       29.90740 
1 1 1 -15 4  6  f 659.8301 16.22927 37560.46       1828.661 37408.22       1904.367 39361.75       6550.689 658.1870 16.94336 631.7351 61.50243 26.45184       63.79362 
1 1 1 -15 4  7  o 106.6796 7.796648 979.2307       141.0499 941.4502       150.6733 1246.971       401.1059 104.5105 8.516629 118.2190 20.61853 -13.70849      22.30822 
1 1 1 -15 4  8  o 408.7368 10.70380 14331.08       747.1088 14213.78       779.5262 15654.09       2617.927 406.9679 11.21679 415.1892 37.32286 -8.221252      38.97194 
1 1 1 -15 4  9  f 417.1066 8.762320 14902.68       624.1200 15491.21       678.7194 11679.95       1588.249 425.1685 9.348184 364.0032 25.71671 61.16528       27.36307 
1 1 1 -15 4  10 o 378.8977 24.54268 12629.70       1579.448 0.000000       0.000000 12629.70       1579.448 ?        ?        378.8977 24.54268 0.000000       24.54268 
1 1 1 -15 4  11 o 576.9604 37.39867 30375.09       3664.869 33259.83       5184.206 27493.23       5181.609 586.3785 52.32254 525.0013 58.80672 61.37720       78.71390 
1 1 1 -15 4  12 f 180.0341 8.559103 2777.710       263.1388 2976.040       659.0603 2740.098       287.0074 183.4167 21.44683 178.4926 9.449753 4.924118       23.43639 
1 1 1 -15 4  13 o 251.0165 7.846880 5398.505       336.3576 4229.023       980.6446 5554.436       358.0799 216.6694 27.09653 254.5713 8.236993 -37.90184      28.32084 
1 1 1 -15 4  14 o 246.7271 8.350896 5220.442       351.8454 5285.066       1022.759 5211.767       374.7167 242.9290 25.01177 246.4485 8.903792 -3.519409      26.54931 
1 1 1 -15 4  15 o 236.2523 8.619400 4790.766       347.7403 5478.021       1042.643 4704.751       368.8599 246.7484 25.09375 234.0320 9.229628 12.71632       26.73728 
1 1 1 -15 4  16 o 180.1196 8.292577 2785.463       255.0659 2326.846       631.0432 2875.021       278.8606 159.9573 23.82963 182.9121 8.927768 -22.95473      25.44712 
1 1 1 -15 4  17 o 35.24173 12.11497 98.16730       88.14974 246.3915       130.2901 -26.95391      119.7064 52.36156 14.20889 28.92162 12.67461 23.43994       19.04044 
1 1 1 -15 4  18 o 98.41065 8.022095 838.1174       133.6400 951.6608       198.1757 743.4200       180.9832 104.2620 11.31216 91.89587 11.80597 12.36617       16.35072 
1 1 1 -15 4  19 o 38.66437 11.00648 132.8447       76.15812 200.4864       100.5368 41.76683       116.6606 47.14867 12.34239 32.92860 13.33978 14.22007       18.17373 
1 1 1 -15 4  20 o 32.56540 10.16084 91.26210       62.64960 87.21691       79.80036 97.76086       101.1464 33.26488 11.52170 36.09789 12.93126 -2.833012      17.31956 
1 1 1 -15 4  21 f 227.0063 5.768196 4423.119       223.6042 4327.289       328.4196 4505.929       305.2934 223.8202 8.592666 228.6203 7.819891 -4.800079      11.61829 
1 1 1 -15 4  22 o 94.40382 5.766595 768.2616       92.51738 726.7401       123.6550 821.0617       139.4416 91.39925 8.003227 97.08206 8.496620 -5.682808      11.67237 
1 1 1 -15 4  23 o 94.83942 6.915637 779.2287       111.2294 742.0527       157.6881 816.0428       156.9190 91.74676 10.23949 96.42245 9.659986 -4.675697      14.07702 
1 1 1 -15 4  24 o 96.54930 6.070508 805.3675       99.57709 790.0385       139.2169 821.4250       142.4866 95.04449 8.673079 96.92078 8.701765 -1.876282      12.28589 
1 1 1 -15 4  25 o 103.4272 13.53471 966.2176       233.3130 1035.571       262.1556 702.0410       511.6490 106.5811 14.80353 83.37009 29.15737 23.21098       32.70010 
1 1 1 -15 4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4  27 o 184.6158 4.991316 2929.588       157.3570 3117.179       207.7191 2676.951       241.0564 190.0281 6.401128 175.5476 8.041219 14.48053       10.27792 
1 1 1 -15 4  28 o 75.57992 8.874702 506.1186       112.3615 569.3199       148.0721 420.3228       172.5215 79.40429 11.23364 66.49813 15.48197 12.90616       19.12815 
1 1 1 -15 4  29 o 92.46794 6.725181 747.0079       105.4660 572.6143       144.0598 948.4367       154.8240 79.38377 10.91579 103.4370 8.850396 -24.05322      14.05290 
1 1 1 -15 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4  31 o 84.54095 7.465461 635.2894       106.6696 536.7922       130.5860 832.8013       184.9189 76.32480 10.28063 94.35297 11.73004 -18.02817      15.59760 
1 1 1 -15 4  32 o 45.31172 13.85255 205.0330       117.1200 205.0330       117.1200 0.000000       0.000000 45.31172 13.85255 ?        ?        0.000000       13.85255 
1 1 1 -15 4  33 o 29.50391 11.16522 67.81123       77.15540 -4.809343      98.08066 185.7070       124.9691 25.90702 11.40999 42.81850 14.42847 -16.91148      18.39480 
1 1 1 -15 4  34 o 52.88298 11.11790 278.2466       97.21526 324.1739       106.5528 50.12236       237.4734 57.03836 11.33882 38.06646 17.18629 18.97190       20.58974 
1 1 1 -15 4  35 o 33.18602 12.74957 101.2612       101.5597 50.77002       113.2774 308.1346       229.2913 30.04262 12.73539 47.98601 18.94702 -17.94339      22.82936 
1 1 1 -15 4  36 o 25.98377 11.64199 0.3369913      106.6516 -6.797998      115.4209 42.01167       278.9483 26.42535 11.95140 36.85950 17.32827 -10.43415      21.05006 
1 1 1 -15 5  1  o 164.4177 4.660566 2310.897       130.8546 2188.667       174.3590 2468.520       197.9999 159.9278 6.384377 169.8179 6.827782 -9.890152      9.347667 
1 1 1 -15 5  2  o 262.1335 7.338813 5883.075       328.5112 4935.534       1125.253 5971.359       343.4746 234.0290 28.76187 264.0652 7.616957 -30.03619      29.75337 
1 1 1 -15 5  3  o 231.7402 6.320867 4594.188       250.1382 4729.603       273.4909 3901.299       618.6462 235.0943 6.812381 211.5687 17.27410 23.52557       18.56887 
1 1 1 -15 5  4  o 374.1992 9.946922 12010.43       635.6141 11951.26       663.0763 12680.67       2231.703 373.1964 10.40457 373.3168 35.43170 -0.1204529     36.92777 
1 1 1 -15 5  5  o 306.8662 7.616045 8061.321       399.0988 8192.922       417.2729 6648.524       1367.194 309.3302 7.899433 272.1695 29.90965 37.16071       30.93522 
1 1 1 -15 5  6  o 135.1768 6.143674 1562.827       141.8183 1546.491       150.3116 1695.252       427.9540 134.4530 6.546666 138.6721 18.53588 -4.219101      19.65802 
1 1 1 -15 5  7  o 261.0988 6.651719 5832.438       296.5791 5990.048       311.4348 4297.618       971.8627 264.5836 6.892906 219.4706 26.46541 45.11292       27.34831 
1 1 1 -15 5  8  o 413.9629 9.769070 14696.32       690.5840 14942.54       749.4655 13311.48       1777.420 417.2702 10.51798 387.5009 27.02989 29.76929       29.00419 
1 1 1 -15 5  9  o 190.6321 5.568952 3107.496       181.2890 3352.447       195.7763 1633.767       480.2083 197.9910 5.790455 135.2766 21.50758 62.71440       22.27342 
1 1 1 -15 5  10 o 184.1317 5.264602 2898.940       165.5374 3406.045       219.8758 2235.415       251.5109 199.5175 6.453487 161.2036 9.174446 38.31398       11.21686 
1 1 1 -15 5  11 o 180.7097 5.639712 2793.110       174.0365 2783.752       239.2640 2803.624       253.6116 180.2663 7.772503 180.8741 8.210904 -0.6077881     11.30623 
1 1 1 -15 5  12 o 157.4492 7.603341 2123.941       204.4310 1509.936       464.8246 2271.187       227.6275 129.5484 21.78453 162.5622 8.226572 -33.01389      23.28610 
1 1 1 -15 5  13 o 262.5258 8.539969 5912.593       382.8514 6106.391       1151.276 5888.497       405.9554 260.5038 26.23708 261.9099 9.076627 -1.406128      27.76274 
1 1 1 -15 5  14 o 212.9727 9.276485 3896.934       337.3722 4356.495       924.0419 3826.251       362.3893 219.7012 25.07900 210.9170 10.06148 8.784210       27.02202 
1 1 1 -15 5  15 o 134.9066 8.049660 1567.627       184.5991 1681.712       335.4057 1518.052       221.0987 138.4716 14.39468 132.4606 9.844941 6.011063       17.43931 
1 1 1 -15 5  16 o 214.5185 7.375571 3949.113       270.1857 3546.870       577.6376 4061.763       305.6868 200.4561 17.03607 217.4216 8.233263 -16.96548      18.92127 
1 1 1 -15 5  17 o 119.3405 7.079535 1226.796       143.6314 1053.234       263.5097 1300.157       171.3181 108.9476 14.52560 122.6853 8.224882 -13.73775      16.69256 
1 1 1 -15 5  18 o 222.7912 6.964244 4263.307       264.9561 3777.253       611.8856 4375.475       293.9429 205.7973 17.57986 225.5691 7.631000 -19.77177      19.16464 
1 1 1 -15 5  19 o 78.52616 7.257768 534.7236       96.22286 479.1282       144.8766 578.6053       128.7124 73.29515 11.98966 81.29717 9.447512 -8.002022      15.26458 
1 1 1 -15 5  20 o 153.5886 5.008380 2021.807       131.3585 2098.620       176.4041 1926.200       196.8035 156.2592 6.610905 149.3250 7.744474 6.934204       10.18238 
1 1 1 -15 5  21 o 165.4835 4.760400 2347.324       134.5241 2437.195       178.7415 2229.911       204.3020 168.3910 6.215906 160.8416 7.438276 7.549454       9.693577 
1 1 1 -15 5  22 o 65.42785 7.382457 373.8305       81.04102 407.2708       115.2684 341.1444       113.9613 67.66256 10.30125 61.57239 11.25319 6.090168       15.25615 
1 1 1 -15 5  23 o 25.73789 10.34386 28.11292       69.54102 96.50226       89.94220 -73.53539      109.6527 34.91518 12.22409 24.84591 11.39452 10.06927       16.71117 
1 1 1 -15 5  24 o 110.4505 14.42205 1106.022       265.5236 1106.022       265.5236 0.000000       0.000000 110.4505 14.42205 ?        ?        0.000000       14.42205 
1 1 1 -15 5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5  26 o 39.76403 11.45309 142.8741       81.99989 167.7982       131.1294 126.8689       105.0801 44.07260 14.78016 38.89291 13.22997 5.179691       19.83647 
1 1 1 -15 5  27 o 108.7432 7.830980 1032.135       144.4452 822.1632       308.2476 1091.216       163.5088 91.53490 20.25620 111.5646 8.650105 -20.02966      22.02585 
1 1 1 -15 5  28 o 146.4319 5.523133 1850.301       138.1094 1846.825       191.9719 1854.031       198.8415 145.3565 7.762029 145.5212 8.032743 -0.1647797     11.17023 
1 1 1 -15 5  29 o 61.39193 11.07882 348.3045       111.8731 109.4929       146.2987 684.5955       173.6083 39.28775 15.24471 86.04686 12.15327 -46.75911      19.49624 
1 1 1 -15 5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5  31 f 97.35174 6.204368 832.8519       102.6065 793.9202       130.8177 895.0941       165.4085 94.03726 8.229220 98.81773 9.936854 -4.780464      12.90198 
1 1 1 -15 5  32 f 56.07657 9.718958 294.9395       89.69614 289.6277       117.6517 302.3120       138.6080 53.83902 12.95402 54.05806 14.64966 -0.2190399     19.55554 
1 1 1 -15 5  33 o 19.11356 9.295464 -145.9407      96.51836 -145.9407      96.51836 0.000000       0.000000 19.11356 9.295464 ?        ?        0.000000       9.295464 
1 1 1 -15 5  34 o 33.05287 12.69926 96.38256       100.7639 74.02865       111.2347 198.6302       237.8976 31.85410 12.98068 43.48557 18.44618 -11.63147      22.55570 
1 1 1 -15 5  35 o 27.72299 11.84215 34.61214       99.27325 -47.59619      105.8633 633.9165       285.8323 23.73951 10.99732 63.33558 21.81316 -39.59607      24.42857 
1 1 1 -15 5  36 o 49.21124 13.67760 279.7751       119.0816 284.6521       130.6255 255.7832       289.7216 48.66731 14.57485 42.67397 19.14929 5.993336       24.06495 
1 1 1 -15 6  1  o 209.1692 5.014201 3741.717       179.1024 3544.449       252.4413 3941.656       254.1452 203.3995 7.267895 214.5262 6.937446 -11.12672      10.04741 
1 1 1 -15 6  2  o 270.1540 5.938485 6244.898       273.9611 5695.740       388.4379 6788.447       386.4489 257.6689 8.827903 281.4146 8.041617 -23.74570      11.94150 
1 1 1 -15 6  3  o 267.2969 7.445244 6120.040       339.8402 4468.041       1090.186 6297.849       357.6619 221.5692 29.54964 271.1188 7.725225 -49.54964      30.54276 
1 1 1 -15 6  4  o 399.0565 9.700264 13668.71       661.0280 11533.19       2287.767 13863.24       690.4789 351.4235 38.76754 401.8057 10.06312 -50.38214      40.05233 
1 1 1 -15 6  5  o 302.0031 8.236144 7816.521       424.7538 7845.607       443.7221 7497.970       1468.437 302.5152 8.589382 287.7898 30.33687 14.72543       31.52940 
1 1 1 -15 6  6  o 391.5093 8.774624 13142.48       586.6412 13419.72       636.6807 11583.88       1509.619 395.4894 9.427246 361.6596 24.58966 33.82986       26.33485 
1 1 1 -15 6  7  o 469.6549 9.780019 18932.53       784.3691 19573.48       856.6152 15606.33       1951.401 477.3457 10.50875 418.1398 27.48203 59.20590       29.42271 
1 1 1 -15 6  8  o 383.1914 9.843926 12605.70       644.1486 12588.79       698.7542 12701.37       1662.147 382.7480 10.69079 377.8207 25.91884 4.927246       28.03710 
1 1 1 -15 6  9  o 259.4969 5.746640 5760.702       254.6526 6944.299       339.6054 4240.337       384.8987 284.7797 6.983347 222.1824 10.14460 62.59734       12.31585 
1 1 1 -15 6  10 o 255.2431 5.943494 5574.715       259.0584 6244.077       357.3540 4833.317       376.0916 269.9272 7.752646 237.2952 9.281170 32.63203       12.09312 
1 1 1 -15 6  11 o 191.2451 5.298484 3128.613       173.0390 2999.283       226.8044 3308.746       267.6695 187.1140 7.098121 196.4449 7.979144 -9.330902      10.67942 
1 1 1 -15 6  12 o 122.0886 6.366858 1279.794       132.2803 1337.596       162.9489 1168.087       226.5271 124.6673 7.691714 115.8489 11.60667 8.818443       13.92398 
1 1 1 -15 6  13 o 185.6436 5.985960 2950.771       189.7648 3310.610       251.6054 2476.022       288.9995 196.4827 7.498834 169.3407 10.03865 27.14203       12.53024 
1 1 1 -15 6  14 o 172.8759 7.053722 2562.721       208.2355 2385.180       415.0430 2622.447       240.7263 164.9328 14.89694 174.7639 8.066218 -9.831039      16.94056 
1 1 1 -15 6  15 o 204.3627 7.154942 3583.679       249.6949 3445.068       552.5198 3619.253       279.9087 197.6309 16.52319 205.2497 7.986048 -7.618866      18.35192 
1 1 1 -15 6  16 o 281.2580 8.014110 6801.877       384.9125 6525.873       934.4246 6858.280       422.4154 269.6841 20.44224 282.2283 8.764705 -12.54416      22.24197 
1 1 1 -15 6  17 o 105.4116 7.188541 959.1469       128.6270 864.2006       227.3681 1003.836       155.9878 98.53957 13.89784 107.6121 8.559168 -9.072495      16.32205 
1 1 1 -15 6  18 o 224.8777 5.394217 4334.964       207.1461 4264.934       300.4995 4398.372       285.9402 222.5491 7.907076 226.1213 7.405114 -3.572235      10.83317 
1 1 1 -15 6  19 o 279.6760 6.001372 6714.570       286.6208 6481.789       397.3231 6967.142       413.8689 274.0503 8.490078 284.1110 8.530468 -10.06070      12.03538 
1 1 1 -15 6  20 o 185.8805 5.387811 2964.603       171.0204 2865.638       251.0881 3050.246       233.5789 182.1989 8.070088 188.1696 7.269127 -5.970642      10.86124 
1 1 1 -15 6  21 o 181.1996 4.801630 2815.388       148.5757 3022.085       193.6923 2519.909       231.5842 187.4993 6.049380 170.7984 7.940049 16.70082       9.981953 
1 1 1 -15 6  22 o 48.62372 8.432504 210.4161       67.47940 215.1718       90.16628 204.3612       101.7389 48.66508 11.09615 47.32937 12.42865 1.335712       16.66121 
1 1 1 -15 6  23 o 232.6104 5.101791 4646.361       202.6533 4675.763       253.8956 4594.747       336.3963 232.9705 6.381934 230.1272 8.560149 2.843277       10.67732 
1 1 1 -15 6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6  25 o 157.0443 5.434014 2120.947       145.7286 2104.253       205.3153 2137.896       206.8764 155.8609 7.714045 157.1027 7.711259 -1.241837      10.90734 
1 1 1 -15 6  26 o 156.5862 5.316021 2109.419       142.1484 2309.262       190.1169 1856.064       214.0633 163.4410 6.811736 145.7439 8.639552 17.69710       11.00189 
1 1 1 -15 6  27 o 155.9536 5.182148 2094.409       138.0089 2188.859       182.6580 1968.763       210.6746 158.9696 6.728571 150.0162 8.255566 8.953400       10.65026 
1 1 1 -15 6  28 o 99.44393 7.184110 866.0489       121.1771 752.2575       158.6668 1025.315       187.7124 91.41154 10.34662 106.8356 10.42175 -15.42411      14.68555 
1 1 1 -15 6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6  30 o 134.7649 7.890917 1613.288       180.8039 1585.391       303.0540 1628.706       225.2912 128.3979 14.05098 133.9220 9.921814 -5.524124      17.20094 
1 1 1 -15 6  31 o 41.06061 12.52753 163.5879       95.85035 174.1509       118.5668 143.6639       162.8385 42.31696 14.05146 41.25471 16.06233 1.062241       21.34109 
1 1 1 -15 6  32 o 56.99760 9.240059 303.3879       86.85685 315.7720       102.1487 271.0627       165.0328 57.30370 10.83570 50.09005 16.57511 7.213650       19.80269 
1 1 1 -15 6  33 o 88.41433 6.940443 704.9875       103.9460 642.0023       119.1001 906.3279       212.9404 83.26440 8.495269 93.73316 13.70863 -10.46877      16.12750 
1 1 1 -15 6  34 o 62.86317 10.30676 388.7389       106.8065 332.5892       118.2479 637.4954       248.8900 56.21038 12.62729 68.46383 20.02150 -12.25344      23.67085 
1 1 1 -15 6  35 o 25.99432 11.83532 -18.56322      115.5365 56.21510       125.6615 -427.3005      293.7897 30.89704 13.26389 29.03272 14.49511 1.864325       19.64788 
1 1 1 -15 6  36 o 37.67446 12.66586 159.0145       96.29905 178.0756       104.9297 57.23581       242.4670 39.35750 13.22132 35.20349 16.42116 4.154011       21.08217 
1 1 1 -15 7  1  o 189.1247 4.843585 3059.688       156.4289 2956.133       221.2764 3163.144       221.1714 185.7110 6.977430 192.1281 6.741184 -6.417053      9.701963 
1 1 1 -15 7  2  o 126.0921 4.750574 1359.812       102.2906 1354.996       141.7448 1365.046       147.7645 125.5948 6.632483 126.0312 6.891895 -0.4364243     9.564939 
1 1 1 -15 7  3  o 255.1417 5.174238 5568.781       225.4394 5126.881       308.3141 6076.496       330.4773 244.5690 7.382272 266.2730 7.267960 -21.70399      10.35959 
1 1 1 -15 7  4  o 300.3109 7.554137 7730.621       387.3985 5941.414       1272.561 7913.370       406.7019 254.7123 29.82125 303.7941 7.839620 -49.08179      30.83450 
1 1 1 -15 7  5  o 363.9103 9.606895 11377.79       597.0068 0.000000       0.000000 11377.79       597.0068 ?        ?        363.9103 9.606895 0.000000       9.606895 
1 1 1 -15 7  6  o 649.0261 13.99952 36440.14       1551.591 37010.59       1616.139 29723.79       5545.487 653.7924 14.47561 522.6941 63.42769 131.0983       65.05856 
1 1 1 -15 7  7  o 215.6243 5.457171 3977.804       200.9404 4181.524       258.2541 3665.259       319.8798 220.9493 6.844673 206.6139 9.066201 14.33543       11.35982 
1 1 1 -15 7  8  o 283.5792 5.940751 6883.059       287.6852 7573.253       398.6641 6133.129       415.5583 297.1862 7.855550 267.2458 9.105821 29.94037       12.02604 
1 1 1 -15 7  9  o 326.1529 6.706397 9112.001       373.5188 8850.155       525.8094 9378.735       530.6951 320.8925 9.595484 330.3785 9.406571 -9.486023      13.43715 
1 1 1 -15 7  10 o 119.1265 5.479163 1214.422       111.4614 1303.631       135.9706 1031.665       194.6154 123.1994 6.485849 108.9611 10.59325 14.23839       12.42108 
1 1 1 -15 7  11 o 185.7800 5.303413 2953.592       168.2505 3326.588       225.4659 2484.864       252.7488 197.0295 6.701122 169.8525 8.743618 27.17706       11.01616 
1 1 1 -15 7  12 o 223.4677 5.577448 4275.378       212.8395 4757.471       298.1208 3774.198       303.9652 235.4869 7.413506 209.5891 8.492846 25.89783       11.27335 
1 1 1 -15 7  13 o 130.5602 5.409101 1459.493       120.5974 1621.590       165.6940 1276.894       175.8607 137.3021 7.091084 121.5778 8.524480 15.72428       11.08829 
1 1 1 -15 7  14 o 353.5981 6.818180 10727.66       411.6995 11834.29       568.8788 9510.664       596.5698 370.7262 8.985961 331.8247 10.52812 38.90149       13.84156 
1 1 1 -15 7  15 o 254.4742 5.730031 5550.229       249.0019 5079.456       345.0809 6061.606       359.6549 242.9329 8.318263 265.4777 7.933339 -22.54477      11.49484 
1 1 1 -15 7  16 o 148.8220 6.831638 1902.331       173.6176 1877.129       359.5298 1909.995       198.2673 145.6154 14.65782 148.7821 7.831234 -3.166702      16.61866 
1 1 1 -15 7  17 o 282.5399 6.048761 6850.697       291.8423 6436.722       410.9758 7271.804       414.5013 273.0956 8.812511 290.4268 8.357711 -17.33124      12.14544 
1 1 1 -15 7  18 o 202.2560 5.882121 3511.187       203.1595 3312.416       304.6313 3670.406       272.6444 195.7313 9.114071 206.3972 7.735543 -10.66591      11.95428 
1 1 1 -15 7  19 o 89.53378 6.464189 692.7968       98.16873 761.0703       145.9586 636.4010       132.6559 93.29327 9.285086 85.23749 9.262787 8.055779       13.11534 
1 1 1 -15 7  20 o 195.4046 5.462740 3278.135       182.2835 3352.246       259.7220 3206.192       255.8961 197.0643 7.717896 192.7077 7.776115 4.356598       10.95600 
1 1 1 -15 7  21 o 90.97096 5.334992 713.0410       82.51534 646.4009       112.9929 789.1892       120.7851 86.15279 7.763735 95.32285 7.480239 -9.170059      10.78098 
1 1 1 -15 7  22 o 139.2380 4.751073 1663.444       112.9670 1674.384       150.3084 1649.243       171.2514 139.4355 6.312595 138.0015 7.292778 1.433945       9.645386 
1 1 1 -15 7  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7  24 o 298.8475 5.803680 7686.583       296.1795 7681.373       370.3335 7695.830       493.3739 298.0705 7.275654 296.8996 9.731160 1.170898       12.15033 
1 1 1 -15 7  25 o 210.0363 5.202724 3793.439       186.6066 3950.030       240.2903 3555.507       296.1970 213.8764 6.579177 202.1205 8.581601 11.75584       10.81339 
1 1 1 -15 7  26 o 85.10854 7.240817 632.4950       104.2356 827.8680       150.4704 452.2395       144.5317 96.84060 9.209858 70.23372 12.50938 26.60688       15.53403 
1 1 1 -15 7  27 o 137.6438 5.902947 1638.632       138.7482 1787.810       178.1587 1408.692       221.1886 143.1081 7.314668 125.5604 10.40981 17.54763       12.72276 
1 1 1 -15 7  28 o 54.40571 12.30971 280.1172       111.6936 263.9978       140.2725 308.0439       184.6322 52.09889 14.97207 55.64185 17.45656 -3.542957      22.99770 
1 1 1 -15 7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7  30 o 130.4810 5.621290 1484.565       125.2522 1507.756       161.1119 1449.136       199.1361 130.4114 7.263350 126.3768 9.292611 4.034630       11.79444 
1 1 1 -15 7  31 o 43.00034 11.43432 180.4565       85.41518 178.8304       108.0046 183.1717       139.5644 42.44884 13.35689 43.12090 15.21709 -0.6720581     20.24763 
1 1 1 -15 7  32 o 60.93428 11.87098 367.8183       119.0828 621.3312       227.1702 271.7611       139.8350 73.26363 18.23094 50.21170 15.08951 23.05192       23.66560 
1 1 1 -15 7  33 o 61.34259 9.941249 364.4996       100.5731 384.2373       106.6290 205.3932       302.7409 62.73938 10.31081 44.82933 19.87916 17.91006       22.39406 
1 1 1 -15 7  34 o 30.31946 11.87315 76.75312       89.37127 75.31023       96.14214 85.92818       242.4385 30.60873 12.21068 38.07413 17.26128 -7.465406      21.14361 
1 1 1 -15 7  35 o 34.31280 12.86180 121.9271       101.8503 148.4312       108.1665 -85.33701      302.4813 36.78740 13.34682 34.40318 16.66677 2.384224       21.35226 
1 1 1 -15 8  1  o 133.8226 4.518713 1532.127       103.2633 1534.929       146.5027 1529.361       145.5744 133.8102 6.411425 133.5697 6.382271 0.2404785      9.046533 
1 1 1 -15 8  2  o 85.64766 5.224015 630.2444       76.03971 611.4683       101.1993 654.5901       115.2355 84.13123 7.110578 86.96173 7.844348 -2.830505      10.58745 
1 1 1 -15 8  3  o 227.4454 5.071981 4427.160       196.9957 4288.653       281.3672 4560.337       275.9012 223.5740 7.369705 230.6006 7.006340 -7.026581      10.16864 
1 1 1 -15 8  4  o 213.8447 5.181829 3913.657       189.2272 3693.858       260.9153 4157.549       274.8430 207.5066 7.363186 220.1532 7.310680 -12.64659      10.37606 
1 1 1 -15 8  5  o 372.3043 9.010725 11917.25       572.8748 12234.57       2073.021 11891.01       596.0878 359.8718 34.14158 371.7843 9.388955 -11.91251      35.40903 
1 1 1 -15 8  6  o 154.5946 6.329409 2047.588       167.0934 2332.906       617.2599 2025.027       173.5741 160.2216 23.23842 153.7166 6.612448 6.504959       24.16089 
1 1 1 -15 8  7  o 82.53876 5.682870 586.0460       79.61100 649.8550       96.33375 448.5962       141.3870 86.83757 6.544444 71.08834 12.07908 15.74923       13.73804 
1 1 1 -15 8  8  o 160.6500 5.165565 2208.774       141.7100 2294.177       177.0219 2056.394       236.4582 163.6298 6.335231 154.3837 9.008262 9.246140       11.01290 
1 1 1 -15 8  9  o 147.9593 5.415434 1874.187       136.8288 1798.091       177.1844 1986.613       215.3660 144.7799 7.166636 151.8313 8.338356 -7.051437      10.99495 
1 1 1 -15 8  10 o 334.7589 6.720827 9609.525       384.1994 10416.53       544.3713 8808.609       542.3145 347.8921 9.163235 319.6942 9.933781 28.19788       13.51462 
1 1 1 -15 8  11 o 116.4643 5.539208 1161.723       110.1647 1127.090       143.6121 1211.240       171.7222 114.3425 7.394576 118.3664 8.553219 -4.023903      11.30652 
1 1 1 -15 8  12 o 123.8351 5.120677 1313.076       108.2862 1380.619       136.4541 1198.189       177.9629 126.8882 6.297431 117.6256 8.926407 9.262650       10.92421 
1 1 1 -15 8  13 o 181.9161 4.805052 2833.232       149.2695 2920.530       196.1516 2713.118       230.0834 184.5295 6.224782 177.6628 7.583799 6.866653       9.811316 
1 1 1 -15 8  14 o 146.1187 5.159086 1829.061       128.7302 1769.959       176.2260 1896.680       188.4967 143.3320 7.223088 148.3425 7.464954 -5.010529      10.38742 
1 1 1 -15 8  15 o 159.2406 6.956260 2179.185       189.1610 2205.024       409.7337 2172.185       213.2467 157.5220 15.43019 158.8426 7.861647 -1.320618      17.31751 
1 1 1 -15 8  16 o 169.1996 4.703213 2452.194       135.8926 2380.414       173.1289 2567.390       219.3249 166.5260 6.088156 172.7166 7.436216 -6.190628      9.610565 
1 1 1 -15 8  17 o 72.01685 6.748616 449.8646       82.02688 444.8736       108.6748 456.4727       125.0479 71.14772 9.157257 71.77164 10.51467 -0.6239243     13.94323 
1 1 1 -15 8  18 f 195.7699 4.683627 3284.733       156.5777 3140.355       199.8468 3514.251       251.9733 191.1645 6.121927 201.9502 7.306479 -10.78574      9.532189 
1 1 1 -15 8  19 o 153.0449 5.789580 2012.469       151.3100 2442.103       223.1412 1646.767       205.8702 168.1717 7.770071 137.6111 8.806882 30.56053       11.74458 
1 1 1 -15 8  20 o 184.9799 5.257092 2937.878       166.0626 2946.910       238.9192 2929.436       230.9781 184.7143 7.574408 184.2295 7.341921 0.4847870      10.54872 
1 1 1 -15 8  21 o 64.29192 11.73664 373.8032       124.1071 399.8654       134.0131 216.8080       328.9157 66.39725 12.27142 57.29770 22.67090 9.099548       25.77901 
1 1 1 -15 8  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8  23 o 36.93566 12.28805 115.4493       90.65889 -60.71085      162.4622 195.1122       109.2512 31.96261 14.34140 46.24326 13.18918 -14.28065      19.48411 
1 1 1 -15 8  24 o 61.14084 8.805644 331.8185       89.28618 542.6442       139.3007 184.8092       116.3225 77.89513 10.75952 45.19574 13.80324 32.69939       17.50134 
1 1 1 -15 8  25 o 70.20226 9.422923 438.7049       110.1119 320.1899       155.2396 558.7039       156.2085 58.20907 15.38482 78.46259 12.04318 -20.25352      19.53794 
1 1 1 -15 8  26 o 38.17167 12.66016 127.2927       96.25983 35.25956       133.5983 226.6542       138.8154 33.55515 14.00228 49.20753 15.08737 -15.65239      20.58380 
1 1 1 -15 8  27 o 33.41281 12.18430 87.41515       90.30962 232.5663       114.9487 -146.6647      145.9741 49.37669 13.32414 26.10939 12.35393 23.26730       18.17009 
1 1 1 -15 8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8  29 o 31.89940 12.11696 75.70985       91.08392 66.31837       106.8613 100.6580       174.1696 32.40928 12.89086 39.60284 16.20247 -7.193569      20.70494 
1 1 1 -15 8  30 o 56.85614 9.886985 303.0127       92.50855 319.5379       118.6673 277.4122       147.7006 56.99747 12.53311 51.60312 15.50818 5.394344       19.93947 
1 1 1 -15 8  31 o 141.4484 5.248254 1750.231       126.7695 1961.923       160.1445 1394.959       207.4630 148.9780 6.294885 122.1557 10.03413 26.82237       11.84523 
1 1 1 -15 8  32 o 23.86079 10.14549 16.03301       72.25772 18.04743       86.87647 11.51189       130.1516 25.77440 11.04569 29.65801 13.09861 -3.883615      17.13420 
1 1 1 -15 8  33 o 85.61964 6.935185 668.1917       100.5278 632.6730       109.2138 865.2181       257.2241 82.58840 7.837731 83.25982 18.56467 -0.6714172     20.15135 
1 1 1 -15 8  34 o 26.17800 12.68310 -163.3735      175.2551 -191.4319      216.8316 -110.5079      297.6310 28.48771 13.87197 34.31880 16.60324 -5.831089      21.63560 
1 1 1 -15 8  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 9  1  o 198.8090 4.821147 3383.757       163.6772 3431.875       235.1127 3338.507       228.0002 199.9415 6.886067 197.2207 6.769876 2.720734       9.656560 
1 1 1 -15 9  2  o 106.1162 4.760598 963.8998       86.26705 938.6776       124.0200 987.5433       120.0757 104.3347 7.001411 107.0852 6.598477 -2.750488      9.620793 
1 1 1 -15 9  3  o 168.1600 4.711183 2420.307       135.2865 2545.180       193.6131 2301.168       189.1144 172.2451 6.582425 163.7589 6.762663 8.486191       9.437263 
1 1 1 -15 9  4  o 100.2642 4.360970 860.1119       74.66740 840.6398       103.0596 881.6259       108.3286 98.83549 6.136561 101.2047 6.299402 -2.369232      8.794308 
1 1 1 -15 9  5  o 25.39260 9.053290 47.52367       49.52129 -2.952465      62.08501 135.8039       82.10609 21.80921 9.341759 39.25390 11.50531 -17.44469      14.82028 
1 1 1 -15 9  6  o 154.9273 6.015625 2057.362       159.1515 2580.081       611.8964 2019.435       164.8242 168.4207 21.78617 153.4650 6.289409 14.95567       22.67584 
1 1 1 -15 9  7  o 88.43439 7.446574 676.4366       111.4087 429.3964       365.2757 701.7744       116.9826 71.16414 24.65034 90.05061 7.680771 -18.88647      25.81924 
1 1 1 -15 9  8  o 135.0337 5.037967 1561.249       116.1714 1503.711       148.6210 1651.623       186.2612 132.3921 6.573796 138.3819 7.914948 -5.989777      10.28889 
1 1 1 -15 9  9  o 107.5050 5.366385 990.0305       98.51727 807.0754       122.5510 1324.242       165.6363 96.63171 7.485085 123.8563 7.872200 -27.22460      10.86269 
1 1 1 -15 9  10 o 81.01025 6.328677 566.3659       86.85456 571.4404       113.3081 559.1364       135.2447 81.06658 8.302083 79.82241 10.15153 1.244171       13.11404 
1 1 1 -15 9  11 o 54.16433 6.781938 255.7792       61.35397 259.3130       71.78014 246.1960       118.2061 54.33465 7.973357 52.14772 13.24780 2.186935       15.46216 
1 1 1 -15 9  12 o 82.05966 5.603718 579.9303       78.05556 598.9553       99.64225 549.7125       125.5779 83.19151 7.081323 79.23895 9.468029 3.952568       11.82323 
1 1 1 -15 9  13 o 30.12601 11.57720 53.48232       83.75536 182.2693       123.7120 -55.50071      113.8034 45.68004 14.28247 26.46914 11.92873 19.21090       18.60869 
1 1 1 -15 9  14 o 98.00342 5.121053 825.4064       85.40672 1010.425       112.4540 573.2235       131.2881 108.3235 6.104129 80.83270 9.705246 27.49084       11.46526 
1 1 1 -15 9  15 o 199.7678 4.597946 3418.669       156.8524 3478.723       195.5948 3310.466       262.5479 201.3387 5.688898 195.9645 7.845656 5.374207       9.691124 
1 1 1 -15 9  16 o 78.12994 5.591649 526.5654       74.11034 450.7389       90.94624 676.4336       127.8583 71.93807 7.514176 88.05840 8.612960 -16.12032      11.43004 
1 1 1 -15 9  17 o 95.33767 5.253839 782.2561       85.20469 710.5969       109.4594 892.4395       135.7299 90.54008 7.137508 101.3711 7.903227 -10.83104      10.64918 
1 1 1 -15 9  18 o 72.31255 6.462432 453.5442       78.96083 347.4499       105.2146 590.3459       119.4747 62.40384 10.22774 82.12969 8.648705 -19.72586      13.39428 
1 1 1 -15 9  19 o 95.02689 5.159965 777.4836       83.41880 792.8789       111.9477 758.2623       125.0868 95.65678 6.899578 93.31441 7.924807 2.342361       10.50746 
1 1 1 -15 9  20 o 44.08998 19.48040 -42.79450      288.1530 -42.79450      288.1530 0.000000       0.000000 44.08998 19.48040 ?        ?        0.000000       19.48040 
1 1 1 -15 9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 9  22 o 85.85886 7.533744 642.5656       109.3417 486.1660       182.2011 730.5933       136.6919 72.28662 15.24027 91.24493 8.885411 -18.95831      17.64133 
1 1 1 -15 9  23 o 80.02081 8.434470 562.5742       113.5197 446.5702       155.6440 694.4199       165.9316 69.62298 13.57886 88.09901 11.28920 -18.47604      17.65875 
1 1 1 -15 9  24 o 150.5622 5.801130 1954.637       149.1525 1764.431       199.8374 2193.854       224.1100 142.1088 8.270581 158.4942 8.309238 -16.38539      11.72373 
1 1 1 -15 9  25 o 82.66326 8.783227 605.5538       122.0855 654.3730       162.1961 541.7405       185.4387 84.92162 11.47875 75.66327 14.88229 9.258347       18.79479 
1 1 1 -15 9  26 o 69.99003 10.28426 445.7292       119.2512 423.1031       156.0379 477.5019       184.9070 66.44197 14.18422 69.82546 15.86762 -3.383492      21.28317 
1 1 1 -15 9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 9  28 o 17.12810 8.353488 -136.3947      79.50715 -188.2361      97.11810 -31.04018      138.4486 18.17411 8.939323 29.58455 13.25922 -11.41043      15.99120 
1 1 1 -15 9  29 o 78.66329 7.006199 551.0836       93.12928 623.8117       114.8455 411.4212       159.1485 83.11732 8.198125 63.41521 14.94163 19.70212       17.04293 
1 1 1 -15 9  30 o 62.72501 8.971432 364.5350       93.35841 556.2866       119.6358 65.93128       149.2930 77.53454 9.216277 34.97989 14.71273 42.55465       17.36100 
1 1 1 -15 9  31 o 69.63067 7.640879 443.2902       89.36127 464.3353       103.6866 382.5214       176.1925 70.54932 8.797711 57.59290 16.84652 12.95643       19.00539 
1 1 1 -15 9  32 o 81.66015 6.568359 602.9719       90.81965 618.4288       112.4738 574.0107       153.9567 81.47652 8.194995 74.58764 12.53173 6.888878       14.97338 
1 1 1 -15 9  33 o 66.62956 7.821640 415.2560       87.30238 359.0365       108.6674 517.5964       146.6152 59.39204 11.12321 69.89365 12.75394 -10.50161      16.92303 
1 1 1 -15 9  34 o 40.50367 12.88045 185.2784       100.2228 166.1649       106.2563 339.3890       301.7176 38.32131 13.29385 45.21477 19.95770 -6.893463      23.97992 
1 1 1 -15 10 1  o 71.89798 5.455244 445.6667       66.47883 418.7429       87.52612 482.3755       102.2011 69.37045 7.508400 74.39161 8.180186 -5.021164      11.10367 
1 1 1 -15 10 2  o 127.1430 4.311979 1383.639       93.62052 1438.149       136.5801 1335.327       128.5806 129.4564 6.178199 124.7570 6.035432 4.699333       8.636931 
1 1 1 -15 10 3  o 171.3476 4.272726 2512.754       125.0215 2409.908       196.3031 2582.938       162.1628 167.4935 6.863212 173.5937 5.470355 -6.100204      8.776587 
1 1 1 -15 10 4  o 147.9184 4.107926 1872.171       103.7640 1789.753       163.1373 1928.169       134.4711 144.3801 6.616741 150.0128 5.249269 -5.632767      8.446070 
1 1 1 -15 10 5  o 209.5519 4.437994 3758.646       158.8109 3765.298       248.6126 3754.061       206.4135 209.3606 6.953865 209.2444 5.776733 0.1162415      9.040292 
1 1 1 -15 10 6  o 156.4874 4.643029 2096.591       124.0746 2123.915       181.8553 2072.796       169.7095 157.2629 6.771699 155.4074 6.394885 1.855560       9.313993 
1 1 1 -15 10 7  o 233.6468 4.765440 4674.678       190.1362 4498.671       311.2894 4779.419       240.1366 228.6108 7.973805 236.0575 5.957150 -7.446716      9.953352 
1 1 1 -15 10 8  o 52.93708 10.81486 251.4669       94.46144 449.4988       319.4063 232.4864       98.88472 70.73565 23.04243 50.74889 11.65594 19.98676       25.82276 
1 1 1 -15 10 9  o 159.3929 5.243522 2177.216       142.7230 2175.374       186.0104 2179.852       222.5506 159.1206 6.845558 158.8572 8.232125 0.2634125      10.70652 
1 1 1 -15 10 10 o 174.1615 5.221536 2599.638       155.2932 2339.996       205.5144 2945.193       237.0900 164.9403 7.296483 185.0053 7.504594 -20.06500      10.46698 
1 1 1 -15 10 11 o 86.60310 8.124425 652.0192       118.7467 703.2593       233.1385 634.0695       137.9868 87.86991 16.13165 85.07507 9.669826 2.794838       18.80786 
1 1 1 -15 10 12 o 52.71293 7.245730 243.5192       63.49839 232.1508       78.24382 265.4507       108.6762 51.03743 9.321054 54.13578 12.06413 -3.098347      15.24550 
1 1 1 -15 10 13 o 123.7818 4.887511 1313.236       103.3110 1439.220       131.8913 1113.202       166.1915 129.4627 5.965812 113.1855 8.664167 16.27721       10.51944 
1 1 1 -15 10 14 o 136.9408 4.875294 1607.562       114.0080 1567.048       152.3588 1659.110       171.8605 134.9794 6.609948 138.5930 7.287195 -3.613586      9.838427 
1 1 1 -15 10 15 o 46.75077 7.401297 192.9289       57.12016 217.3684       69.57215 142.3834       100.0530 49.45460 8.547268 40.50210 12.86843 8.952503       15.44838 
1 1 1 -15 10 16 o 73.63612 5.996393 469.1366       74.74714 388.7000       91.79559 627.4191       128.7690 66.55627 8.253754 84.61073 9.052634 -18.05445      12.25050 
1 1 1 -15 10 17 o 100.1494 4.798394 860.3257       82.06277 900.2634       103.5319 792.8268       134.5955 102.1503 5.961049 95.34958 8.350433 6.800743       10.25982 
1 1 1 -15 10 18 o 86.93125 13.58953 684.3479       195.1309 682.0142       232.6803 689.8795       358.2269 85.70408 16.49722 83.59639 23.89657 2.107689       29.03798 
1 1 1 -15 10 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 10 21 o 215.5429 6.469979 4007.284       238.1434 4261.391       373.4375 3833.119       309.1650 220.7780 9.905128 209.9855 8.621822 10.79251       13.13192 
1 1 1 -15 10 22 o 118.9012 5.707738 1217.381       115.8917 1237.869       145.8959 1182.349       190.7784 119.3954 7.189250 115.8723 9.731695 3.523102       12.09922 
1 1 1 -15 10 23 o 55.19540 9.067136 273.0475       82.49391 354.2704       98.74928 85.43404       150.0813 62.91595 9.485889 38.54933 15.29461 24.36662       17.99743 
1 1 1 -15 10 24 o 37.72114 11.80691 127.7441       84.51711 108.4709       97.32119 186.8742       170.4650 36.23716 12.71403 46.71068 16.78164 -10.47352      21.05398 
1 1 1 -15 10 25 o 89.45572 6.203960 698.2983       94.18613 697.1696       116.3843 700.4404       160.3334 88.85349 7.747929 87.66290 10.94918 1.190582       13.41324 
1 1 1 -15 10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 10 27 o 153.6243 5.112662 2047.448       134.1248 1836.411       167.8351 2420.410       223.1185 144.6177 6.796096 165.2227 7.907954 -20.60500      10.42702 
1 1 1 -15 10 28 o 79.72174 6.864242 564.7839       92.53713 588.8874       113.1227 516.0312       160.8828 80.68874 8.329681 72.33376 13.52183 8.354988       15.88154 
1 1 1 -15 10 29 o 45.72269 10.60564 201.8779       81.20270 160.6848       98.43226 289.6388       143.6731 40.39045 12.75643 52.40021 15.17976 -12.00976      19.82805 
1 1 1 -15 10 30 o 23.50237 10.39960 -8.420426      82.42171 -40.78477      95.39962 86.85072       163.6794 23.30543 10.66600 36.40153 15.36298 -13.09611      18.70253 
1 1 1 -15 10 31 o 35.85495 10.76358 128.5331       71.17858 102.1223       83.39173 199.4135       136.6141 32.82324 11.74336 42.55090 15.05115 -9.727661      19.09040 
1 1 1 -15 10 32 o 52.31143 9.168982 265.0747       78.92089 284.1083       89.29958 197.1727       168.6673 53.51764 10.14249 41.61789 16.30735 11.89975       19.20416 
1 1 1 -15 10 33 o 18.89831 8.847302 -49.38451      71.43275 -77.70824      85.94261 13.90693       128.4712 19.63104 9.343542 28.39407 12.74580 -8.763031      15.80371 
1 1 1 -15 11 1  o 158.2931 4.521295 2146.168       122.2156 2219.706       193.6655 2097.500       157.5493 160.6193 7.060779 156.3151 5.902196 4.304184       9.202744 
1 1 1 -15 11 2  o 143.0782 4.557744 1753.439       111.3590 1832.910       168.6914 1692.059       148.2517 146.0077 6.765740 140.3655 6.184970 5.642242       9.166739 
1 1 1 -15 11 3  o 241.9300 4.861217 5015.401       200.8338 5137.699       333.8045 4946.015       251.4323 244.1160 8.007444 239.9968 6.134987 4.119263       10.08748 
1 1 1 -15 11 4  o 394.0674 6.242869 13336.64       420.1039 12292.25       713.8026 13890.11       519.6311 375.9559 11.11832 401.6090 7.576869 -25.65314      13.45459 
1 1 1 -15 11 5  o 79.40258 5.124059 542.6556       69.10770 549.7456       94.52283 534.5134       101.2943 79.64537 7.021682 78.41393 7.662591 1.231438       10.39323 
1 1 1 -15 11 6  o 123.0285 4.416655 1296.150       92.79002 1298.471       139.7308 1294.319       124.1044 122.7275 6.692546 122.7989 5.918218 -0.7134247E-01 8.933950 
1 1 1 -15 11 7  o 105.8281 4.842065 959.6641       87.50513 995.1893       125.3538 925.8994       122.2080 107.3609 6.873465 103.5266 6.953018 3.834335       9.776961 
1 1 1 -15 11 8  o 32.17277 9.792628 90.13143       58.61867 64.49619       79.22744 121.1386       87.13412 30.70183 11.37605 37.59759 12.01567 -6.895758      16.54662 
1 1 1 -15 11 9  o 94.59367 6.966675 773.9480       111.7435 420.6765       419.0050 800.9973       115.9426 71.20869 26.20249 96.21629 7.106850 -25.00759      27.14917 
1 1 1 -15 11 10 o 164.6777 4.783717 2324.144       134.5247 2015.143       178.0549 2735.118       205.3434 153.0472 6.812812 178.3174 6.743495 -25.27017      9.585882 
1 1 1 -15 11 11 o 145.5179 4.881708 1815.340       121.3082 1798.123       157.3398 1840.576       190.4843 144.6215 6.370942 145.8989 7.672441 -1.277374      9.972726 
1 1 1 -15 11 12 o 197.5787 5.194880 3348.855       175.2740 3240.235       240.9836 3470.854       255.3934 193.9102 7.277543 200.6472 7.453748 -6.736938      10.41734 
1 1 1 -15 11 13 o 105.5932 4.776064 955.9868       86.12077 853.5633       111.8384 1105.201       134.9882 99.36986 6.628781 113.0500 7.027132 -13.68015      9.660296 
1 1 1 -15 11 14 o 81.18891 5.301113 568.2017       73.09293 551.0558       90.43189 600.5092       124.1348 79.72051 6.705043 82.78028 8.922429 -3.059769      11.16097 
1 1 1 -15 11 15 o 184.6643 4.462293 2923.235       140.7158 2745.142       180.9652 3195.598       223.7927 178.6794 5.930874 192.5699 6.805430 -13.89049      9.027134 
1 1 1 -15 11 16 o 96.47913 11.79886 828.8391       190.3398 796.6621       260.6609 865.5962       278.5955 92.56687 17.12051 96.38237 17.57433 -3.815498      24.53506 
1 1 1 -15 11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 11 19 o 182.0596 4.822378 2845.527       149.9260 2888.711       188.0560 2770.206       248.3612 183.1606 6.012475 178.7403 8.136909 4.420273       10.11727 
1 1 1 -15 11 20 o 83.91019 5.807865 609.0844       82.70921 634.9851       94.12296 521.2978       173.2824 85.54765 6.491357 75.25569 13.99905 10.29196       15.43085 
1 1 1 -15 11 21 o 97.06304 5.946505 815.2798       98.08865 751.8504       112.0214 1023.750       203.0848 92.92558 7.113361 107.0944 11.27409 -14.16880      13.33060 
1 1 1 -15 11 22 o 113.3735 5.328498 1107.642       103.1617 1127.742       124.8314 1064.344       183.2123 113.9832 6.439648 109.5065 9.904652 4.476715       11.81403 
1 1 1 -15 11 23 o 97.32508 4.991720 818.7806       82.68242 795.4520       94.64285 893.9769       169.9191 95.71496 5.817963 99.88879 10.10026 -4.173836      11.65607 
1 1 1 -15 11 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 11 26 o 33.56980 10.47946 103.4072       66.63096 151.9329       74.46296 -91.55198      149.2540 40.05089 10.68851 28.08055 13.02585 11.97034       16.84983 
1 1 1 -15 11 27 o 21.69585 9.381742 -0.4257930     63.76496 39.39848       68.55402 -255.9545      173.6516 26.00099 10.33032 25.36752 12.36607 0.6334629      16.11320 
1 1 1 -15 11 28 o 32.51482 10.82438 97.20865       70.34360 162.3109       80.85774 -105.4269      142.6532 40.77057 11.24773 26.35547 12.39068 14.41509       16.73441 
1 1 1 -15 11 29 o 33.09175 10.96985 103.9230       72.27500 110.7728       84.74117 85.64288       138.4343 34.24184 11.87229 34.89270 14.37970 -0.6508675     18.64745 
1 1 1 -15 11 30 o 31.92402 11.16322 96.40704       74.99747 91.37200       84.21713 115.7000       164.8535 31.75432 11.73619 37.27577 15.55447 -5.521452      19.48537 
1 1 1 -15 11 31 o 29.99594 10.12291 85.95444       61.51477 94.48050       69.14005 53.57080       134.7467 31.28181 10.73081 31.67041 13.66655 -0.3886013     17.37599 
1 1 1 -15 11 32 o 56.14391 7.949873 299.4980       74.08907 233.1582       86.52100 481.8756       143.4564 47.34140 10.92439 66.26388 13.14184 -18.92248      17.08948 
1 1 1 -15 12 1  o 76.39760 15.18862 534.5148       191.1745 628.7194       456.4940 514.4788       210.5251 81.45338 27.57569 74.43468 16.94298 7.018692       32.36485 
1 1 1 -15 12 2  o 119.7627 13.14484 1274.624       264.4104 1250.120       519.2656 1283.202       307.2226 112.0177 27.37715 119.3055 15.44197 -7.287750      31.43187 
1 1 1 -15 12 3  o 80.17274 5.409132 554.0354       73.62231 544.7774       98.89038 565.5472       110.2724 79.17082 7.400370 80.53553 8.129468 -1.364708      10.99335 
1 1 1 -15 12 4  o 104.5980 4.900318 937.9995       87.52855 877.3738       119.7466 1007.551       128.2595 100.7089 7.006588 107.9571 6.994861 -7.248199      9.900523 
1 1 1 -15 12 5  o 113.6605 4.807377 1107.419       93.30818 1148.235       134.7020 1069.767       129.3745 115.2987 6.872663 111.2816 6.841214 4.017097       9.697200 
1 1 1 -15 12 6  o 148.5021 4.495584 1889.523       114.0042 1807.709       167.7961 1959.671       155.3722 144.9303 6.779861 151.0244 6.024546 -6.094101      9.069822 
1 1 1 -15 12 7  o 111.7009 5.159574 1070.292       98.41750 989.9455       142.4895 1143.591       136.0972 106.8194 7.866798 115.0392 6.960669 -8.219795      10.50416 
1 1 1 -15 12 8  o 164.4586 8.074061 2336.101       226.7517 2909.281       730.4725 2274.980       238.5353 173.7240 25.37122 161.9331 8.657470 11.79082       26.80766 
1 1 1 -15 12 9  o 98.99903 4.604532 840.0458       77.84280 741.7271       103.1973 969.8366       118.5693 92.61488 6.567666 105.9607 6.585361 -13.34586      9.300603 
1 1 1 -15 12 10 o 63.52442 8.510527 355.1395       89.99997 248.9640       172.5458 394.8229       105.4865 52.87845 16.90951 66.80505 9.515608 -13.92659      19.40305 
1 1 1 -15 12 11 o 200.5840 4.856785 3450.829       166.3593 3588.793       224.3847 3282.426       247.9050 204.2077 6.434566 195.0375 7.443296 9.170197       9.839020 
1 1 1 -15 12 12 o 20.65372 9.355547 -38.92659      71.04354 -73.31070      81.60154 68.75523       144.4078 20.52225 9.557296 37.38716 14.94810 -16.86492      17.74225 
1 1 1 -15 12 13 o 38.03047 14.05677 104.1012       120.8179 109.9319       134.4035 79.55470       275.7688 39.55537 14.78514 48.20889 20.11728 -8.653515      24.96608 
1 1 1 -15 12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 12 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 12 16 o 37.31440 9.247351 125.8168       58.62582 54.33928       68.15027 329.2724       114.9788 28.28637 10.53700 60.27852 11.59097 -31.99215      15.66458 
1 1 1 -15 12 17 o 58.79985 7.375937 303.4583       72.43222 351.2773       83.58978 159.3435       145.1134 63.20731 7.918087 44.11020 15.52198 19.09711       17.42493 
1 1 1 -15 12 18 o 170.8871 4.801115 2507.583       140.1048 2626.969       175.3165 2296.582       233.0703 174.6613 5.877927 162.3765 8.434514 12.28485       10.28062 
1 1 1 -15 12 19 o 159.8767 4.765391 2195.873       130.1025 2041.311       158.2485 2518.231       228.5368 153.8664 6.022734 170.3168 7.857724 -16.45038      9.900361 
1 1 1 -15 12 20 o 132.7746 4.823018 1516.142       109.3543 1362.306       131.1169 1867.667       198.2016 125.5844 6.113941 146.2545 7.965921 -20.67014      10.04172 
1 1 1 -15 12 21 o 91.32336 5.430043 722.2499       84.29967 699.5679       97.96220 786.9802       165.4897 89.61543 6.444412 93.60146 10.53670 -3.986023      12.35122 
1 1 1 -15 12 22 o 76.74730 6.944179 517.4142       90.02362 489.9247       110.3471 572.1218       155.6688 74.00089 8.911341 78.71509 11.95699 -4.714195      14.91246 
1 1 1 -15 12 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 12 24 f 62.27944 7.410048 345.7879       77.26063 295.7843       87.67263 519.5982       163.4561 56.82568 9.360789 73.44237 13.53182 -16.61669      16.45402 
1 1 1 -15 12 25 o 29.22470 10.16385 72.31270       62.13000 89.10670       68.63588 -3.887509      146.2016 31.74855 10.69290 31.57950 13.91827 0.1690483      17.55153 
1 1 1 -15 12 26 o 55.67470 6.349161 275.8713       59.28409 277.4203       62.67776 262.7181       182.6438 55.69757 6.726036 49.98415 17.42407 5.713425       18.67720 
1 1 1 -15 12 27 o 34.83546 9.127796 115.0796       54.95259 109.8801       59.55981 144.8404       142.4938 33.99437 9.752163 39.81690 15.14808 -5.822536      18.01580 
1 1 1 -15 12 28 o 33.66715 9.414179 109.0442       56.23572 100.3763       61.34233 154.6987       140.7807 32.39238 10.04567 39.77224 15.07449 -7.379856      18.11507 
1 1 1 -15 12 29 o 20.71986 8.983356 2.482765       58.77427 4.856842       65.26267 -7.707373      135.2096 21.88278 9.476894 28.84493 13.00059 -6.962154      16.08810 
1 1 1 -15 12 30 o 43.29953 8.815892 181.3581       62.97006 197.3720       67.83799 81.63684       169.2848 45.03473 9.133549 35.07240 15.22601 9.962330       17.75537 
1 1 1 -15 12 31 o 33.16726 9.594844 110.8125       57.43704 93.64178       61.18269 238.3064       166.7166 30.68204 10.08928 43.26107 16.40260 -12.57903      19.25717 
1 1 1 -15 13 1  f 145.2557 4.940731 1809.606       122.5536 1819.283       186.8819 1802.305       162.3332 145.0155 7.572871 144.7142 6.568923 0.3012390      10.02493 
1 1 1 -15 13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 12 o 165.7998 5.421185 2361.535       153.4900 2520.276       209.2601 2176.675       225.8198 170.8918 7.170729 158.2969 8.383747 12.59492       11.03207 
1 1 1 -15 13 13 o 97.25916 5.643665 815.9460       93.33024 760.4737       111.9360 942.4652       169.0480 93.61208 7.054058 103.5908 9.667971 -9.978714      11.96785 
1 1 1 -15 13 14 f 172.5583 4.804099 2555.859       141.5630 2621.042       178.4078 2445.058       232.6057 174.4908 5.987414 167.9604 8.109825 6.530411       10.08060 
1 1 1 -15 13 15 o 146.6045 5.085319 1846.412       127.3114 1963.099       156.4287 1617.490       219.1027 150.9707 6.067669 135.8751 9.502745 15.09561       11.27470 
1 1 1 -15 13 16 o 284.3067 6.948807 6985.791       337.3643 6930.792       503.8064 7030.501       454.2441 281.0201 10.49843 283.8165 9.372377 -2.796356      14.07333 
1 1 1 -15 13 17 o 61.65178 7.262832 333.6837       74.99645 321.3081       81.59564 401.0417       190.3608 60.27158 8.135691 64.76226 16.99804 -4.490685      18.84470 
1 1 1 -15 13 18 o 200.1075 5.076646 3446.940       173.4771 3349.169       215.2325 3628.222       293.0765 196.7775 6.405165 203.8610 8.418697 -7.083481      10.57831 
1 1 1 -15 13 19 o 59.40508 7.589540 312.3057       75.23145 324.9973       86.74793 273.7990       151.1015 60.30663 8.673017 53.54916 15.58301 6.757473       17.83399 
1 1 1 -15 13 20 o 203.1107 5.207648 3563.191       180.6243 3462.560       224.7380 3746.788       303.5599 199.5331 6.595683 206.2338 8.619512 -6.700714      10.85353 
1 1 1 -15 13 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 22 o 56.09898 8.619665 285.0840       79.93284 268.2306       92.99644 332.7498       156.3960 53.67223 10.52259 57.72007 15.52755 -4.047844      18.75712 
1 1 1 -15 13 23 o 35.91715 10.95319 119.9899       73.28539 126.8600       83.90354 97.88303       150.5089 36.99105 11.78754 38.03280 15.24133 -1.041752      19.26770 
1 1 1 -15 13 24 o 56.72989 8.279546 293.0158       77.84560 301.3474       85.91451 254.8062       183.9879 57.19038 9.102201 49.79704 17.48077 7.393337       19.70856 
1 1 1 -15 13 25 o 49.81932 7.872838 226.8244       64.75242 152.2263       72.03463 540.8254       147.7893 39.80981 10.46000 74.84631 11.96609 -35.03650      15.89336 
1 1 1 -15 13 26 o 33.65963 9.229742 107.8236       54.63993 74.74937       59.17247 299.2401       142.3523 28.98093 9.927588 52.87157 15.04674 -23.89064      18.02668 
1 1 1 -15 13 27 o 20.52992 8.552832 14.60694       49.72839 22.30482       53.35416 -36.32544      137.2397 21.88791 8.962735 28.00744 12.80873 -6.119530      15.63311 
1 1 1 -15 13 28 o 25.76675 9.247785 57.10905       51.75327 50.54386       55.85202 96.97839       137.6368 25.26197 9.513613 34.79634 14.33890 -9.534374      17.20793 
1 1 1 -15 13 29 o 69.00082 5.737689 427.1913       66.99413 420.6547       74.72307 453.9756       151.2586 67.99962 6.514706 63.94214 14.22027 4.057476       15.64153 
1 1 1 -15 13 30 o 29.51396 8.900605 85.69083       48.58985 86.59105       51.91070 79.32256       138.0682 29.63015 9.249758 32.57156 13.94080 -2.941416      16.73033 
1 1 1 -15 14 1  o 113.1662 5.295446 1100.218       102.3343 1264.501       143.4986 930.2084       145.9784 120.8528 6.983026 103.2655 8.349556 17.58727       10.88475 
1 1 1 -15 14 2  o 108.6623 5.307304 1014.171       98.48154 1062.529       145.9161 973.7154       133.4634 110.5858 7.776318 105.9227 7.425505 4.663116       10.75217 
1 1 1 -15 14 3  o 76.49414 6.340584 507.1496       82.07790 466.9190       104.8309 570.8789       131.9414 72.91402 8.583710 80.40841 9.812544 -7.494392      13.03710 
1 1 1 -15 14 4  o 204.9428 9.313849 3650.802       325.9597 0.000000       0.000000 3650.802       325.9597 ?        ?        204.9428 9.313849 0.000000       9.313849 
1 1 1 -15 14 5  o 45.14101 9.528956 183.7033       71.14810 178.0196       83.80698 198.3708       134.6304 44.24745 11.10805 47.23870 14.91868 -2.991253      18.59988 
1 1 1 -15 14 6  o 143.6323 5.007767 1770.772       122.8282 1808.390       181.4821 1738.975       166.8497 144.5247 7.378004 142.0064 6.880429 2.518356       10.08837 
1 1 1 -15 14 7  o 111.1492 4.808570 1060.031       91.26923 965.7836       131.3707 1147.965       126.8940 105.5045 7.337299 115.2616 6.473158 -9.757133      9.784566 
1 1 1 -15 14 8  o 170.4010 4.779754 2491.481       139.0848 2606.467       218.3369 2412.955       180.4309 173.7040 7.360637 167.3882 6.312249 6.315750       9.696569 
1 1 1 -15 14 9  o 190.5563 4.667633 3115.290       151.8875 2962.187       239.5802 3218.178       196.4007 185.0923 7.579853 193.3897 5.947135 -8.297394      9.634448 
1 1 1 -15 14 10 o 193.0171 4.893701 3198.179       161.3003 3334.276       253.3637 3105.425       209.1645 196.3526 7.556240 189.8214 6.452691 6.531235       9.936497 
1 1 1 -15 14 11 o 23.96868 9.317653 31.89402       54.73106 -1.636140      62.68396 139.4549       112.2705 21.90418 9.384689 40.60238 13.67580 -18.69820      16.58614 
1 1 1 -15 14 12 o 82.68861 8.297182 599.2489       115.5796 870.4378       276.3522 541.7563       127.2427 96.25380 17.45573 78.19305 9.740515 18.06075       19.98950 
1 1 1 -15 14 13 o 170.3828 4.977906 2494.866       144.8353 2573.546       183.3030 2364.111       236.3021 172.7364 6.214179 164.6602 8.432112 8.076172       10.47457 
1 1 1 -15 14 14 o 66.27111 6.282862 382.4904       70.25275 396.9030       85.54984 352.6446       123.1093 67.22514 7.584817 62.04025 12.05461 5.184895       14.24229 
1 1 1 -15 14 15 o 98.82991 5.704571 845.1375       95.86568 846.6887       108.2774 839.5114       206.2140 98.73856 6.457251 95.97643 12.90945 2.762131       14.43434 
1 1 1 -15 14 16 o 20.11341 8.791017 -10.06742      57.24757 26.46328       62.58097 -197.3977      141.7155 24.39804 9.810048 24.16063 11.63088 0.2374153      15.21559 
1 1 1 -15 14 17 o 39.70957 8.647224 143.6488       56.97575 93.09911       62.06864 414.3097       143.6235 32.39325 10.11468 66.46968 13.11896 -34.07643      16.56544 
1 1 1 -15 14 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 14 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 14 20 o 121.2382 5.500860 1275.385       113.8864 1414.162       135.3317 938.6019       210.8217 127.3804 6.221500 100.0817 12.61587 27.29871       14.06653 
1 1 1 -15 14 21 o 131.1747 5.363982 1494.683       120.1543 1585.364       146.2727 1306.550       210.6882 134.6284 6.362452 119.4756 10.43125 15.15285       12.21850 
1 1 1 -15 14 22 o 69.13174 6.348297 422.3730       74.10670 360.1275       83.87357 643.9192       158.2354 63.17912 7.950135 82.63783 11.52686 -19.45871      14.00261 
1 1 1 -15 14 23 o 125.5923 5.240138 1374.726       112.3848 1501.666       135.4843 1094.705       201.2262 130.8121 6.065119 107.9316 11.07468 22.88046       12.62672 
1 1 1 -15 14 24 o 64.02104 6.217647 364.6258       67.11791 400.3262       74.66138 214.2541       153.2295 66.93343 6.618801 45.49509 15.95381 21.43835       17.27231 
1 1 1 -15 14 25 o 117.0576 4.444832 1193.107       88.84986 1166.671       100.6311 1286.596       189.2387 115.3958 5.106703 117.2499 9.533954 -1.854111      10.81548 
1 1 1 -15 14 26 o 15.68647 7.553792 -80.41358      59.88607 -170.6918      66.99233 278.6786       133.6093 13.72110 6.861183 50.17306 14.66844 -36.45196      16.19380 
1 1 1 -15 14 27 o 17.12646 7.447235 -1.609967      40.62956 -21.54093      42.59429 199.6060       135.3376 15.73750 7.173391 42.34881 14.98056 -26.61131      16.60948 
1 1 1 -15 14 28 o 40.51606 7.380436 154.6588       49.18222 173.5922       52.44931 16.72964       141.5642 42.96027 7.417556 29.92339 13.40958 13.03688       15.32439 
1 1 1 -15 14 29 o 16.83178 7.283290 1.194294       38.48171 3.639970       40.16433 -26.17385      134.3580 17.41119 7.487314 27.00929 12.46873 -9.598095      14.54404 
1 1 1 -15 15 1  f 93.48694 5.245914 754.9852       83.40954 625.8983       118.4437 881.9798       117.4800 84.31958 8.334993 100.6665 6.875140 -16.34693      10.80461 
1 1 1 -15 15 2  o 59.57710 16.55206 338.5051       174.4294 0.000000       0.000000 338.5051       174.4294 ?        ?        59.57710 16.55206 0.000000       16.55206 
1 1 1 -15 15 3  o 88.20102 5.980548 674.0751       89.54519 723.1458       127.1499 625.7897       126.1283 90.77657 8.294021 84.21471 8.905570 6.561852       12.16963 
1 1 1 -15 15 4  f 142.8264 4.784351 1753.012       116.6899 1479.165       176.7782 1964.471       155.3412 130.2210 7.988202 150.9113 6.027861 -20.69031      10.00732 
1 1 1 -15 15 5  o 43.74495 8.634244 172.2986       62.20931 189.2981       82.36451 149.7214       94.91986 45.48133 10.77102 40.82100 12.46927 4.660336       16.47718 
1 1 1 -15 15 6  o 147.8446 4.791187 1878.201       120.9624 1958.262       180.7924 1813.315       162.7587 150.4121 7.038749 144.8626 6.579392 5.549469       9.634956 
1 1 1 -15 15 7  o 109.1935 6.086266 1031.698       113.0366 1063.491       139.4641 970.8195       192.9846 110.5138 7.433205 104.3608 10.99428 6.153015       13.27127 
1 1 1 -15 15 8  o 52.48387 8.109301 244.8797       70.33663 285.1374       93.47542 192.3353       106.7913 56.18364 10.11482 45.73092 13.03874 10.45272       16.50207 
1 1 1 -15 15 9  o 171.5689 4.643373 2529.339       136.0423 2505.327       214.9762 2545.379       175.6983 169.9232 7.408595 171.7512 5.990539 -1.827972      9.527531 
1 1 1 -15 15 10 o 48.66055 8.671973 212.6449       69.41837 179.5913       86.40540 272.8199       116.5842 44.16496 11.38453 54.15309 12.80794 -9.988136      17.13625 
1 1 1 -15 15 11 f 24.49211 9.807142 27.58780       62.26151 33.85775       72.91673 10.71316       119.6223 26.58118 10.62397 30.59059 13.03147 -4.009407      16.81333 
1 1 1 -15 15 12 o 69.48049 6.180891 420.8258       72.56992 471.2102       93.34735 343.8549       115.3764 73.19281 7.578255 61.20208 11.46067 11.99073       13.73961 
1 1 1 -15 15 13 o 87.88950 9.089193 686.5174       134.4448 892.8940       321.8486 642.8934       147.9736 93.67654 20.67341 84.48253 10.48208 9.194008       23.17895 
1 1 1 -15 15 14 f 98.77682 5.637263 846.4749       94.69370 821.0741       112.9798 906.4521       173.6085 96.90675 6.871796 100.4498 10.26515 -3.543022      12.35293 
1 1 1 -15 15 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 15 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 15 17 o 43.47543 10.49297 176.7561       77.01149 287.7600       86.10241 -267.2112      172.1954 56.17995 9.300321 25.41453 12.37253 30.76542       15.47823 
1 1 1 -15 15 18 o 42.23768 10.44086 167.5673       74.87859 195.4021       84.54790 66.32816       161.2436 45.47715 11.00574 37.08213 15.42077 8.395012       18.94535 
1 1 1 -15 15 19 o 67.34669 6.937518 402.6118       78.64329 485.7638       87.91785 69.70070       175.9159 73.99385 7.042894 38.04472 15.98467 35.94913       17.46745 
1 1 1 -15 15 20 o 127.0976 5.396826 1406.730       117.1325 1592.094       143.2113 1032.148       203.5812 134.7797 6.222300 104.7973 11.56875 29.98245       13.13595 
1 1 1 -15 15 21 o 49.95042 8.001761 227.9566       65.94971 226.5162       73.49622 233.9099       149.4176 49.36259 9.052574 47.75445 15.76999 1.608143       18.18356 
1 1 1 -15 15 22 o 43.35766 9.114146 177.1778       65.33909 206.0119       72.86908 58.89465       147.5884 46.68253 9.464787 34.47104 14.57043 12.21149       17.37468 
1 1 1 -15 15 23 o 56.68009 7.120691 291.5309       67.40023 306.8200       75.68736 232.9576       148.1432 57.80246 7.872666 46.47076 15.70916 11.33170       17.57147 
1 1 1 -15 15 24 o 126.8471 4.758045 1408.186       103.0649 1444.881       119.6435 1302.616       202.9357 127.9847 5.474307 116.5750 10.30011 11.40966       11.66449 
1 1 1 -15 15 25 o 43.80236 7.369775 178.3553       53.16835 149.1940       57.26947 360.3637       143.0757 39.36520 8.746556 56.97611 14.62968 -17.61091      17.04494 
1 1 1 -15 15 26 o 24.20057 8.320492 52.01435       41.57973 28.19732       42.93855 410.5549       166.5991 20.91445 8.217854 58.62362 16.13363 -37.70916      18.10599 
1 1 1 -15 15 27 o 21.08458 7.879012 34.67542       38.16349 32.79695       39.20766 68.54032       166.4732 20.93293 7.950200 33.55160 14.81633 -12.61867      16.81456 
1 1 1 -15 16 1  o 86.40236 5.491693 647.9293       80.60705 649.7981       115.9859 646.1833       112.1043 85.75346 8.013364 85.60442 7.752864 0.1490479      11.14993 
1 1 1 -15 16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 13 o 80.30659 5.994290 563.3648       81.61114 581.9692       97.32944 519.3095       149.7740 81.27124 7.083857 74.54093 12.18758 6.730309       14.09674 
1 1 1 -15 16 14 o 84.99483 10.16586 657.8489       144.6219 636.2620       239.6976 670.2054       181.3497 78.52945 18.22565 84.19539 13.03443 -5.665939      22.40693 
1 1 1 -15 16 15 o 40.81443 9.175594 154.3799       62.39697 138.3089       70.85799 209.8763       131.6738 38.41376 10.50124 46.52007 14.76060 -8.106316      18.11495 
1 1 1 -15 16 16 o 52.51264 7.388930 247.5325       64.42674 206.5395       73.65934 380.9977       132.9098 47.16998 9.473489 62.82255 12.82305 -15.65258      15.94295 
1 1 1 -15 16 17 o 44.88786 8.717320 186.0018       64.41238 164.7027       74.19921 251.1436       129.7621 41.66475 10.44769 50.06136 14.40422 -8.396606      17.79427 
1 1 1 -15 16 18 o 15.55011 7.349477 -55.08934      51.40300 -48.34347      55.21938 -98.89348      140.7116 16.72690 7.813899 26.67047 12.46386 -9.943577      14.71070 
1 1 1 -15 16 19 o 111.9421 5.168335 1092.227       98.79755 1057.572       117.3017 1176.821       183.2692 109.4458 6.302938 113.1053 9.578644 -3.659439      11.46636 
1 1 1 -15 16 20 o 49.87971 8.309512 230.1283       68.28838 286.0680       76.80674 19.06835       149.1908 55.71694 8.328075 32.31096 14.15508 23.40598       16.42325 
1 1 1 -15 16 21 o 66.81470 6.813156 402.0664       76.64835 410.2598       88.35118 377.1379       154.1092 66.92817 7.881457 59.02223 15.19851 7.905937       17.12052 
1 1 1 -15 16 22 o 18.92278 8.413179 -11.83690      54.56994 26.21855       57.62092 -342.9130      169.9557 22.87364 9.334285 22.49391 11.19721 0.3797283      14.57760 
1 1 1 -15 16 23 o 47.70972 8.578056 216.1047       67.31788 220.3391       72.88336 191.5125       175.6432 47.80551 9.262399 42.18043 16.60577 5.625080       19.01430 
1 1 1 -15 16 24 o 20.10652 8.381070 14.92720       47.78863 15.95478       51.06237 7.675524       135.6477 20.71859 8.652092 29.40280 13.15485 -8.684202      15.74512 
1 1 1 -15 16 25 o 55.16626 6.428335 278.4772       59.42272 239.0942       64.98877 479.2969       146.7531 50.28449 7.822659 66.14542 13.45040 -15.86094      15.55979 
1 1 1 -15 17 1  o 182.9236 4.547301 2889.370       142.0448 2650.409       228.5210 3039.827       181.3304 173.3793 7.718395 187.0415 5.677152 -13.66228      9.581423 
1 1 1 -15 17 2  o 140.0814 4.452320 1693.222       106.5047 1601.892       168.7858 1753.645       137.2874 134.8494 7.357481 142.1013 5.657578 -7.251923      9.281202 
1 1 1 -15 17 3  o 97.92625 5.046327 831.8646       84.10027 906.2718       131.3192 780.1268       109.5028 101.2144 7.654308 94.19804 6.854404 7.016373       10.27479 
1 1 1 -15 17 4  o 100.7304 5.098535 880.2864       87.41612 767.4351       130.4833 972.1805       117.7458 92.80726 8.321641 105.3277 6.579321 -12.52043      10.60835 
1 1 1 -15 17 5  o 41.70508 9.510534 161.1808       66.23046 152.4060       89.68507 171.7061       98.22433 40.33239 12.07631 42.60031 12.61163 -2.267921      17.46111 
1 1 1 -15 17 6  o 33.04222 9.652215 99.95085       57.87363 138.0480       71.96146 30.18896       97.37839 38.46096 10.61111 28.91504 12.00075 9.545916       16.01916 
1 1 1 -15 17 7  o 104.0045 4.887602 935.2540       86.80603 957.5001       131.4372 918.0444       115.6055 104.1412 7.439818 102.2999 6.653797 1.841293       9.981178 
1 1 1 -15 17 8  o 76.14206 5.454671 505.3919       70.45443 472.1623       104.8875 532.7119       95.10455 72.46952 8.646222 77.58298 7.263009 -5.113464      11.29196 
1 1 1 -15 17 9  o 66.05895 6.145070 383.4183       68.52540 366.9881       95.89232 400.5646       97.95985 63.57344 9.091904 66.56950 8.835595 -2.996052      12.67795 
1 1 1 -15 17 10 o 52.76543 8.100730 251.5884       70.65943 271.7478       86.13531 210.1093       123.5543 54.30560 9.641416 46.50636 14.22968 7.799244       17.18839 
1 1 1 -15 17 11 o 30.38287 10.45825 78.68545       65.69965 88.77892       72.28951 30.77330       157.4989 32.03470 10.97291 34.65736 14.86298 -2.622662      18.47466 
1 1 1 -15 17 12 o 107.3313 5.111333 999.4839       93.68340 1075.238       120.7405 884.8859       148.5040 110.6487 6.417625 99.08546 8.870466 11.56320       10.94857 
1 1 1 -15 17 13 o 31.36305 10.26786 88.00036       63.39352 71.18507       76.42764 125.0804       113.4928 30.21937 11.17800 37.84161 13.68032 -7.622234      17.66632 
1 1 1 -15 17 14 o 83.68547 5.626127 613.4337       79.93382 607.7811       99.48339 623.7304       134.2704 82.67992 7.115411 82.39150 9.731099 0.2884216      12.05501 
1 1 1 -15 17 15 o 48.70259 14.27742 239.7385       126.4276 286.9500       217.5396 215.6595       155.3580 51.97383 18.91692 46.39104 16.07566 5.582787       24.82492 
1 1 1 -15 17 16 o 39.51483 10.43759 149.8466       71.48045 178.3879       78.00317 0.2834994      178.5615 43.03173 10.66814 34.09630 15.18538 8.935432       18.55815 
1 1 1 -15 17 17 o 37.61491 10.28316 136.2831       67.94432 149.4848       73.73566 62.00697       174.8988 39.25186 10.70490 36.42178 15.64224 2.830078       18.95454 
1 1 1 -15 17 18 o 43.03367 9.371129 176.7144       66.91425 176.1530       75.38706 178.7993       145.2772 42.50293 10.45803 42.14324 15.44063 0.3596878      18.64896 
1 1 1 -15 17 19 o 117.2637 5.260664 1207.873       105.3431 1314.907       127.1855 974.0142       187.9986 121.5950 6.145122 100.1094 11.18845 21.48563       12.76495 
1 1 1 -15 17 20 o 96.85123 5.908402 835.0187       97.25121 870.8165       118.2592 760.2370       170.9243 98.02677 7.113039 87.40731 11.74880 10.61946       13.73425 
1 1 1 -15 17 21 o 69.52234 7.419505 443.5847       86.72424 467.5041       98.51499 361.2172       182.8124 70.78512 8.307997 54.29081 17.40997 16.49431       19.29066 
1 1 1 -15 17 22 o 54.32197 8.513144 280.3629       76.37624 219.7537       84.86489 538.6729       175.1981 46.51398 10.87830 68.88985 15.29163 -22.37587      18.76623 
1 1 1 -15 17 23 o 24.24383 9.891923 35.33194       64.69882 12.26465       73.44701 115.2294       136.6918 23.27220 10.06611 35.15363 14.36472 -11.88143      17.54057 
1 1 1 -15 18 1  o 85.81812 5.698703 646.3257       83.03870 717.4274       125.4950 590.9495       110.7511 89.09961 8.345216 80.92216 8.124218 8.177444       11.64670 
1 1 1 -15 18 2  o 51.01869 7.571071 235.6133       63.96012 167.5346       85.19915 323.5246       96.81709 41.65241 11.56659 58.85571 9.990195 -17.20330      15.28365 
1 1 1 -15 18 3  o 61.96207 6.856405 342.1821       71.33193 255.9979       102.9795 421.6751       98.90121 51.37077 11.96223 68.04208 8.711866 -16.67131      14.79836 
1 1 1 -15 18 4  o 119.0818 4.524743 1227.742       92.01134 1158.227       141.6912 1278.431       120.9936 114.1947 7.304255 120.9514 5.858002 -6.756691      9.363136 
1 1 1 -15 18 5  o 123.3006 4.723148 1317.776       99.44858 1248.548       153.4547 1367.903       130.5811 118.3866 7.631240 124.9925 6.117788 -6.605850      9.780754 
1 1 1 -15 18 6  o 77.23295 5.591695 522.6900       73.24860 460.2664       108.3172 575.2911       99.43075 70.93890 9.155151 80.32902 7.329170 -9.390121      11.72747 
1 1 1 -15 18 7  o 21.55394 9.027679 11.85168       55.82609 30.54543       76.88769 -8.991464      81.18771 26.23443 10.75287 23.72436 10.41650 2.510078       14.97090 
1 1 1 -15 18 8  o 59.01513 6.918831 311.0766       68.40335 330.4475       83.32179 271.0338       119.7969 60.28400 8.315162 52.19931 13.37789 8.084694       15.75150 
1 1 1 -15 18 9  o 78.80941 6.055103 547.2363       80.86636 489.5821       105.2679 630.2449       126.3113 73.39474 8.559829 83.09757 9.047477 -9.702835      12.45502 
1 1 1 -15 18 10 o 71.85236 6.188741 456.4523       75.19473 473.5480       99.02594 433.1707       115.5616 72.30625 8.162837 68.02141 10.26839 4.284843       13.11761 
1 1 1 -15 18 11 o 34.64948 10.92218 112.7984       72.18713 169.0664       90.84801 16.42265       118.8964 41.55935 12.07985 29.69589 12.82600 11.86346       17.61900 
1 1 1 -15 18 12 o 34.70784 10.55990 114.2731       68.17447 86.15791       82.05869 176.9197       122.4906 31.88494 11.61632 42.23222 14.28441 -10.34728      18.41149 
1 1 1 -15 18 13 o 85.61350 6.939267 655.5950       100.5785 763.0550       118.5894 380.2068       189.8432 91.98444 7.618270 58.05812 17.61215 33.92632       19.18921 
1 1 1 -15 18 14 o 74.30219 6.273400 491.5763       78.85458 550.5658       99.55049 392.2334       129.1887 77.95275 7.574044 62.64676 12.51394 15.30599       14.62754 
1 1 1 -15 18 15 o 46.90959 10.28165 213.8020       80.08913 229.3008       89.92361 154.3438       176.1290 48.14978 11.15517 41.02194 16.47049 7.127834       19.89258 
1 1 1 -15 18 16 o 43.98973 9.742651 187.3151       71.25698 228.7582       82.06145 60.28433       143.6705 48.45776 10.23759 33.55857 14.28827 14.89920       17.57734 
1 1 1 -15 18 17 o 56.79394 7.905850 298.7171       74.59536 377.1182       86.25517 66.10557       148.5730 63.79327 8.100468 34.00243 14.50489 29.79084       16.61353 
1 1 1 -15 18 18 o 33.65437 10.24582 110.8593       64.16471 106.8290       69.33430 134.9026       169.3470 33.13628 10.73190 38.74141 15.92786 -5.605129      19.20600 
1 1 1 -15 18 19 o 90.78036 5.478378 732.4153       84.52911 768.2171       98.49367 632.3268       164.6828 92.41859 6.278128 77.97934 12.81216 14.43925       14.26767 
1 1 1 -15 18 20 o 60.85211 6.257255 335.9889       64.09576 317.1698       71.01948 418.6331       148.8281 58.52444 7.262280 60.93329 14.51097 -2.408852      16.22680 
1 1 1 -15 18 21 o 19.15962 8.452567 -4.653259      54.05003 16.64449       57.17247 -183.8128      165.8212 21.52091 9.081054 24.89244 12.12340 -3.371532      15.14735 
1 1 1 -15 19 1  o 56.72561 7.560946 293.3463       71.41769 472.2946       119.2532 193.2761       89.17814 70.56829 10.19128 44.08783 11.66444 26.48046       15.48940 
1 1 1 -15 19 2  o 47.66115 8.898967 213.3509       69.76424 159.1973       95.80056 274.4937       101.7951 39.98756 12.57919 52.71712 11.62059 -12.72957      17.12525 
1 1 1 -15 19 3  o 30.94881 10.88715 85.03352       71.38519 55.91780       104.5984 110.4176       97.66563 30.69326 12.55663 34.93511 12.68125 -4.241850      17.84610 
1 1 1 -15 19 4  o 57.90568 6.835304 302.0711       66.28671 329.2365       89.60751 269.2393       98.51087 59.34086 9.135864 52.36095 11.34510 6.979916       14.56624 
1 1 1 -15 19 5  o 37.64866 9.939775 136.6561       64.84524 -9.780418      90.00758 294.6846       93.50224 24.54087 10.86296 55.47757 10.24715 -30.93671      14.93345 
1 1 1 -15 19 6  o 89.85241 5.733360 712.8544       87.51244 655.2974       120.1052 777.9950       127.7729 84.53799 8.432217 92.34465 8.187519 -7.806656      11.75320 
1 1 1 -15 19 7  o 77.12341 5.725936 525.9995       74.87279 530.7898       99.23634 519.6689       114.0811 76.43005 7.708632 74.73901 9.128187 1.691040       11.94767 
1 1 1 -15 19 8  o 55.44492 7.951432 282.7280       73.12997 254.8460       92.63605 328.8439       119.1359 51.03513 10.95683 57.10145 12.55928 -6.066315      16.66696 
1 1 1 -15 19 9  o 50.58479 7.363997 233.9084       61.74458 265.5205       78.86858 183.8566       99.24009 53.14202 9.012946 42.51943 12.69704 10.62259       15.57074 
1 1 1 -15 19 10 o 38.20749 9.364705 140.3559       60.62601 187.0242       70.68153 10.44486       117.9282 44.08368 9.656303 28.72394 12.58425 15.35974       15.86214 
1 1 1 -15 19 11 o 42.95334 8.622895 174.3589       61.05094 111.2855       74.03129 308.4335       107.9358 34.01848 11.09396 55.55352 11.74491 -21.53504      16.15608 
1 1 1 -15 19 12 o 50.51385 7.273107 233.7914       60.92959 228.2993       70.31853 250.3373       122.0515 49.22813 8.682094 48.44175 13.97886 0.7863846      16.45562 
1 1 1 -15 19 13 o 50.94503 6.934761 236.6634       58.76258 234.0644       68.63505 243.7990       113.7243 49.98704 8.334002 48.04675 13.37082 1.940285       15.75546 
1 1 1 -15 19 14 o 20.80459 8.492794 20.32654       47.72021 11.32569       51.25711 78.87694       130.7306 20.40481 8.603642 33.57985 13.91817 -13.17503      16.36271 
1 1 1 -15 19 15 o 46.31998 9.501079 208.5492       72.63120 208.5492       72.63120 0.000000       0.000000 46.31998 9.501079 ?        ?        0.000000       9.501079 
1 1 1 -15 19 16 o 43.88787 15.13533 219.2751       137.6346 388.2927       222.1187 113.9317       175.3569 53.35156 19.15739 37.18742 15.80825 16.16414       24.83760 
1 1 1 -15 19 17 o 24.14934 9.329732 43.52444       54.60924 38.79170       59.43324 69.17937       138.3753 24.12118 9.607508 32.65171 13.96520 -8.530527      16.95084 
1 1 1 -15 19 18 o 47.13768 8.634885 214.4305       66.94524 214.4305       66.94524 0.000000       0.000000 47.13768 8.634885 ?        ?        0.000000       8.634885 
1 1 1 -15 20 1  o 19.42262 8.829046 -26.58787      63.96997 -55.31917      87.74150 6.013213       93.46379 21.37015 9.938192 25.60907 11.21179 -4.238924      14.98238 
1 1 1 -15 20 2  o 21.35251 9.506461 -11.93636      69.91563 29.44593       105.7315 -44.09121      93.20096 28.39173 12.17692 22.66835 10.43607 5.723387       16.03711 
1 1 1 -15 20 3  f 85.69936 6.014205 655.8566       87.45773 554.8489       134.7216 729.4294       114.9791 75.29123 10.78651 89.24664 7.617347 -13.95541      13.20502 
1 1 1 -15 20 4  o 33.88158 10.94192 112.3357       72.11346 25.87718       88.90018 278.6817       123.3119 26.48102 11.25633 50.81941 13.83681 -24.33839      17.83710 
1 1 1 -15 20 5  o 35.90763 10.82433 128.1032       71.87434 141.3515       92.29761 107.6913       114.5651 37.37775 12.39686 34.77272 13.49106 2.605030       18.32187 
1 1 1 -15 20 6  o 38.68900 10.58825 149.2785       71.99011 170.2434       92.01558 116.1960       115.5882 40.61792 12.24814 35.49375 13.60981 5.124165       18.30967 
1 1 1 -15 20 7  o 34.15656 10.20278 114.5647       64.07246 130.4991       75.41333 73.21203       121.4874 36.13523 11.12720 32.52670 13.44409 3.608540       17.45159 
1 1 1 -15 20 8  o 19.96625 8.672316 0.5787151      54.97301 28.53088       65.34824 -67.08793      101.6748 23.98565 9.881658 22.59923 10.57206 1.386421       14.47120 
1 1 1 -15 20 9  o 13.62538 6.657835 -88.57205      51.19713 -91.09725      57.64611 -79.14243      111.3959 14.76427 7.181087 23.21729 10.92601 -8.453018      13.07462 
1 1 1 -15 20 10 o 35.37859 9.828886 123.7776       61.50761 199.5596       72.27388 -75.27233      117.1331 45.11436 9.671819 23.97799 11.25844 21.13636       14.84239 
1 1 1 -15 20 11 o 31.32985 9.752275 95.57355       57.75101 90.86951       67.55523 108.3439       111.3078 30.87149 10.60614 34.27952 13.29840 -3.408024      17.00993 
1 1 1 -15 20 12 f 20.99063 8.985276 9.124373       57.36987 6.320291       65.59781 18.24610       118.3130 21.93564 9.500490 28.45484 12.53192 -6.519203      15.72604 
1 1 1 -15 20 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  1  o 276.8947 9.085878 6576.147       428.5710 6576.147       428.5710 6576.147       428.5710 276.8947 9.085878 276.8947 9.085878 0.000000       0.000000 
1 1 1 -14 0  2  o 173.0214 9.438863 2582.362       276.9857 2582.362       276.9857 2582.362       276.9857 173.0214 9.438863 173.0214 9.438863 0.000000       0.000000 
1 1 1 -14 0  3  o 533.1057 13.25414 24377.37       1204.925 24377.37       1204.925 24377.37       1204.925 533.1057 13.25414 533.1057 13.25414 0.000000       0.000000 
1 1 1 -14 0  4  o 79.25526 14.73913 590.2261       179.2219 590.2261       179.2219 590.2261       179.2219 79.25526 14.73913 79.25526 14.73913 0.000000       0.000000 
1 1 1 -14 0  5  o 104.7863 14.02455 989.3093       238.3450 989.3093       238.3450 989.3093       238.3450 104.7863 14.02455 104.7863 14.02455 0.000000       0.000000 
1 1 1 -14 0  6  o 272.0120 29.38510 6616.438       1324.617 6616.438       1324.617 6616.438       1324.617 272.0120 29.38510 272.0120 29.38510 0.000000       0.000000 
1 1 1 -14 0  7  o 119.3867 22.10475 1342.598       405.2162 1342.598       405.2162 1342.598       405.2162 119.3867 22.10475 119.3867 22.10475 0.000000       0.000000 
1 1 1 -14 0  8  o 87.99982 22.93946 786.1041       297.8753 786.1041       297.8753 786.1041       297.8753 87.99982 22.93946 87.99982 22.93946 0.000000       0.000000 
1 1 1 -14 0  9  o 33.85191 18.59352 136.6138       154.9050 136.6138       154.9050 136.6138       154.9050 33.85191 18.59352 33.85191 18.59352 0.000000       0.000000 
1 1 1 -14 0  10 o 288.2592 30.69963 7441.034       1468.058 7441.034       1468.058 7441.034       1468.058 288.2592 30.69963 288.2592 30.69963 0.000000       0.000000 
1 1 1 -14 0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  13 o 297.4016 31.33417 7939.767       1550.922 7939.767       1550.922 7939.767       1550.922 297.4016 31.33417 297.4016 31.33417 0.000000       0.000000 
1 1 1 -14 0  14 o 352.9423 35.81711 11238.37       2107.756 11238.37       2107.756 11238.37       2107.756 352.9423 35.81711 352.9423 35.81711 0.000000       0.000000 
1 1 1 -14 0  15 o 393.1667 10.28552 13258.37       689.4970 13258.37       689.4970 13258.37       689.4970 393.1667 10.28552 393.1667 10.28552 0.000000       0.000000 
1 1 1 -14 0  16 o 27.20811 16.24872 67.03974       133.6338 67.03974       133.6338 67.03974       133.6338 27.20811 16.24872 27.20811 16.24872 0.000000       0.000000 
1 1 1 -14 0  17 o 91.36629 14.09900 765.8060       204.3887 765.8060       204.3887 765.8060       204.3887 91.36629 14.09900 91.36629 14.09900 0.000000       0.000000 
1 1 1 -14 0  18 o 192.2022 9.538405 3188.259       311.3074 3188.259       311.3074 3188.259       311.3074 192.2022 9.538405 192.2022 9.538405 0.000000       0.000000 
1 1 1 -14 0  19 o 41.13250 20.12140 216.1793       167.2864 216.1793       167.2864 216.1793       167.2864 41.13250 20.12140 41.13250 20.12140 0.000000       0.000000 
1 1 1 -14 0  20 o 49.52058 22.64600 311.4754       208.6645 311.4754       208.6645 311.4754       208.6645 49.52058 22.64600 49.52058 22.64600 0.000000       0.000000 
1 1 1 -14 0  21 f 146.2284 7.329416 1845.755       181.9728 1845.755       181.9728 1845.755       181.9728 146.2284 7.329416 146.2284 7.329416 0.000000       0.000000 
1 1 1 -14 0  22 o 256.2631 8.049818 5650.516       351.4816 5650.516       351.4816 5650.516       351.4816 256.2631 8.049818 256.2631 8.049818 0.000000       0.000000 
1 1 1 -14 0  23 o 73.71618 9.274562 488.6875       111.7331 488.6875       111.7331 488.6875       111.7331 73.71618 9.274562 73.71618 9.274562 0.000000       0.000000 
1 1 1 -14 0  24 o 244.9488 7.764050 5167.758       324.0233 5167.758       324.0233 5167.758       324.0233 244.9488 7.764050 244.9488 7.764050 0.000000       0.000000 
1 1 1 -14 0  25 o 35.36981 15.79628 157.4279       101.3929 157.4279       101.3929 157.4279       101.3929 35.36981 15.79628 35.36981 15.79628 0.000000       0.000000 
1 1 1 -14 0  26 o 83.80345 18.77819 701.0912       234.6286 701.0912       234.6286 701.0912       234.6286 83.80345 18.77819 83.80345 18.77819 0.000000       0.000000 
1 1 1 -14 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  28 o 119.2080 8.105193 1240.502       163.2440 1240.502       163.2440 1240.502       163.2440 119.2080 8.105193 119.2080 8.105193 0.000000       0.000000 
1 1 1 -14 0  29 o 178.7846 7.153626 2764.192       217.6084 2764.192       217.6084 2764.192       217.6084 178.7846 7.153626 178.7846 7.153626 0.000000       0.000000 
1 1 1 -14 0  30 f 42.20100 17.73266 224.6665       128.5462 224.6665       128.5462 224.6665       128.5462 42.20100 17.73266 42.20100 17.73266 0.000000       0.000000 
1 1 1 -14 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  32 o 42.20644 16.85919 223.1711       117.7384 223.1711       117.7384 223.1711       117.7384 42.20644 16.85919 42.20644 16.85919 0.000000       0.000000 
1 1 1 -14 0  33 o 21.72826 13.86714 22.13827       114.3044 22.13827       114.3044 22.13827       114.3044 21.72826 13.86714 21.72826 13.86714 0.000000       0.000000 
1 1 1 -14 0  34 o 38.99330 17.69028 210.3561       127.2240 210.3561       127.2240 210.3561       127.2240 38.99330 17.69028 38.99330 17.69028 0.000000       0.000000 
1 1 1 -14 0  35 o 25.94022 15.35804 86.59074       117.5358 86.59074       117.5358 86.59074       117.5358 25.94022 15.35804 25.94022 15.35804 0.000000       0.000000 
1 1 1 -14 0  36 o 13.71227 9.885303 -186.0008      116.4343 -186.0008      116.4343 -186.0008      116.4343 13.71227 9.885303 13.71227 9.885303 0.000000       0.000000 
1 1 1 -14 0  37 o 22.30532 14.85360 6.320822       152.7460 6.320822       152.7460 6.320822       152.7460 22.30532 14.85360 22.30532 14.85360 0.000000       0.000000 
1 1 1 -14 1  1  o 76.47502 6.064571 503.0849       78.54976 522.7620       102.5630 475.1690       122.1619 77.77863 7.828348 73.82275 9.943372 3.955879       12.65518 
1 1 1 -14 1  2  o 495.7859 11.85543 21081.29       1003.722 20982.35       1080.431 21704.75       2712.197 494.4397 12.79623 495.1161 32.25447 -0.6763916     34.70006 
1 1 1 -14 1  3  o 213.9871 8.102611 3917.809       296.0837 3755.441       325.5757 4694.191       711.9326 209.4494 9.102712 232.6031 18.06516 -23.15361      20.22893 
1 1 1 -14 1  4  o 120.1916 7.177284 1239.827       146.6386 1210.966       168.8682 1328.312       295.6830 118.6661 8.387370 123.5271 14.28047 -4.861008      16.56140 
1 1 1 -14 1  5  o 360.8498 19.86420 11288.13       1219.337 10946.74       2111.167 11459.02       1493.655 349.4702 35.88561 362.2414 24.28687 -12.77112      43.33162 
1 1 1 -14 1  6  o 123.9773 11.00444 1327.646       230.5547 1357.314       396.2622 1312.463       283.4753 123.9262 19.35786 122.8636 13.74668 1.062660       23.74232 
1 1 1 -14 1  7  o 273.0960 19.90265 6481.447       921.7833 6639.463       1303.323 6323.297       1303.875 274.0405 28.25598 267.1106 29.05387 6.929932       40.52811 
1 1 1 -14 1  8  o 274.8087 19.97355 6564.911       930.9104 6987.956       1316.559 6141.934       1316.453 281.3072 27.76917 262.8773 29.85538 18.42996       40.77340 
1 1 1 -14 1  9  o 429.9167 42.15716 16845.79       3055.159 16845.79       3055.159 0.000000       0.000000 429.9167 42.15716 ?        ?        0.000000       42.15716 
1 1 1 -14 1  10 o 323.4359 32.89110 9348.409       1791.361 9348.409       1791.361 0.000000       0.000000 323.4359 32.89110 ?        ?        0.000000       32.89110 
1 1 1 -14 1  11 o 214.7957 24.85111 4075.943       894.7021 4075.943       894.7021 0.000000       0.000000 214.7957 24.85111 ?        ?        0.000000       24.85111 
1 1 1 -14 1  12 o 210.6592 24.41448 3921.678       861.9926 0.000000       0.000000 3921.678       861.9926 ?        ?        210.6592 24.41448 0.000000       24.41448 
1 1 1 -14 1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1  14 o 332.9248 9.851022 9503.347       560.0533 9960.611       1809.514 9454.902       588.9731 332.8337 32.24123 331.9977 10.38863 0.8360291      33.87360 
1 1 1 -14 1  15 o 263.1617 8.324330 5932.686       374.0882 0.000000       0.000000 5932.686       374.0882 ?        ?        263.1617 8.324330 0.000000       8.324330 
1 1 1 -14 1  16 o 132.2415 7.703077 1503.108       173.2004 1572.598       228.7904 1409.824       265.0822 134.9763 9.997185 127.3806 12.34117 7.595695       15.88233 
1 1 1 -14 1  17 o 344.7790 8.921955 10202.67       525.2944 10404.07       551.0358 8196.832       1738.975 348.0935 9.270048 296.6085 35.00735 51.48502       36.21393 
1 1 1 -14 1  18 o 37.29788 13.46929 100.7519       109.9754 100.7519       109.9754 0.000000       0.000000 37.29788 13.46929 ?        ?        0.000000       13.46929 
1 1 1 -14 1  19 o 82.91100 6.938826 593.6362       97.33937 495.4859       131.8682 711.1415       144.2856 75.07542 10.57919 90.40232 9.487819 -15.32690      14.21049 
1 1 1 -14 1  20 o 53.23912 8.848650 250.4772       77.62304 189.7363       100.6734 339.5286       121.8975 45.98719 12.49451 61.54677 12.02934 -15.55958      17.34410 
1 1 1 -14 1  21 o 173.0340 6.616694 2571.135       195.5124 2261.003       409.9948 2662.417       222.4320 159.6598 15.22204 175.9522 7.402880 -16.29237      16.92670 
1 1 1 -14 1  22 o 84.70108 7.145547 621.5122       102.3888 594.6360       144.6375 648.5092       144.9622 82.13247 10.55689 85.94389 10.06807 -3.811424      14.58815 
1 1 1 -14 1  23 o 132.3593 5.413107 1503.340       122.3497 1476.843       181.1054 1525.587       165.9443 130.5259 8.166251 132.8595 7.342713 -2.333588      10.98194 
1 1 1 -14 1  24 o 340.9113 5.812354 9987.804       338.3727 9304.072       425.4122 11165.38       558.2922 328.2892 7.588421 358.7623 9.112821 -30.47305      11.85865 
1 1 1 -14 1  25 o 52.19844 11.57097 248.1306       100.4325 366.0992       202.4936 209.6432       115.6611 62.49948 17.99685 47.94307 13.53473 14.55641       22.51833 
1 1 1 -14 1  26 o 24.70797 10.55580 0.5235741      78.89845 104.3003       106.9393 -123.4452      116.8808 36.89440 13.28795 23.64751 11.14769 13.24689       17.34476 
1 1 1 -14 1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1  28 o 120.9503 9.376720 1285.568       192.1553 1285.568       192.1553 0.000000       0.000000 120.9503 9.376720 ?        ?        0.000000       9.376720 
1 1 1 -14 1  29 o 72.23396 8.074749 460.0518       97.89882 297.4786       136.8312 630.5517       140.1273 56.18052 14.24299 84.08600 9.951869 -27.90548      17.37534 
1 1 1 -14 1  30 o 126.1403 5.511930 1375.676       118.7297 1399.769       163.8320 1349.025       172.3067 126.3090 7.631444 123.7342 8.201240 2.574783       11.20265 
1 1 1 -14 1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 1  32 o 57.85955 9.206342 307.2920       87.91515 260.7975       120.9952 359.2919       127.9584 51.39948 13.58109 60.93130 12.70911 -9.531815      18.60019 
1 1 1 -14 1  33 o 31.20515 11.67018 77.50367       83.75846 32.20058       113.1415 132.4379       124.5889 30.14229 12.74989 38.52506 14.26752 -8.382772      19.13431 
1 1 1 -14 1  34 o 26.11219 11.01413 23.46428       84.05093 62.64113       113.2785 -24.52344      125.3712 31.84187 13.05157 27.73974 12.50907 4.102125       18.07817 
1 1 1 -14 1  35 o 114.4434 5.366980 1156.190       104.8872 1042.876       154.4285 1253.225       142.9065 105.7223 8.629052 117.4832 7.157319 -11.76086      11.21105 
1 1 1 -14 1  36 o 37.25063 12.83679 145.6069       98.99593 202.3464       121.7477 34.88941       170.0694 42.46045 14.24162 32.84607 14.71007 9.614380       20.47461 
1 1 1 -14 1  37 o 36.96029 12.47177 149.6399       93.37360 146.2178       119.4606 155.0137       149.6981 36.47773 13.87173 37.38874 15.12350 -0.9110069     20.52182 
1 1 1 -14 2  1  o 592.3245 11.66545 30092.46       1179.948 30833.19       1269.622 25397.49       3196.387 599.3935 12.40397 533.4057 35.29074 65.98779       37.40715 
1 1 1 -14 2  2  o 136.7357 7.560279 1604.205       175.8457 1461.853       194.1548 2253.969       414.8062 130.3922 8.770555 161.1640 15.25362 -30.77177      17.59533 
1 1 1 -14 2  3  o 220.1826 6.466208 4144.963       243.1278 4229.520       267.3315 3740.415       584.7404 222.3895 7.039373 207.7348 16.62284 14.65468       18.05191 
1 1 1 -14 2  4  o 175.2323 6.742716 2625.614       201.7674 2564.239       222.9786 2902.947       473.9876 173.1406 7.541580 183.0797 15.30116 -9.939148      17.05875 
1 1 1 -14 2  5  o 97.63413 7.833042 820.7294       129.4977 807.9572       159.7554 845.2018       221.1365 96.63396 9.817404 98.30028 13.53231 -1.666321      16.71840 
1 1 1 -14 2  6  o 247.4666 15.08173 5286.242       634.2960 5449.637       1099.126 5204.654       776.6766 248.5932 26.29036 244.8244 18.71920 3.768814       32.27370 
1 1 1 -14 2  7  o 437.9452 23.50939 16716.57       1751.751 16761.54       3033.251 16694.07       2145.756 429.2479 41.91563 435.3426 29.02984 -6.094666      50.98678 
1 1 1 -14 2  8  o 488.8084 32.38076 21193.99       2687.577 22630.33       3800.602 19757.33       3801.014 496.5013 45.32576 460.9870 49.03753 35.51428       66.77652 
1 1 1 -14 2  9  o 108.8686 19.81986 1056.303       354.8974 1056.303       354.8974 0.000000       0.000000 108.8686 19.81986 ?        ?        0.000000       19.81986 
1 1 1 -14 2  10 o 107.4376 20.00621 1030.412       353.5418 1030.412       353.5418 0.000000       0.000000 107.4376 20.00621 ?        ?        0.000000       20.00621 
1 1 1 -14 2  11 o 122.1631 14.25038 1300.716       291.6949 1132.624       419.6590 1457.836       405.7313 112.1926 22.68412 128.4777 19.07196 -16.28503      29.63628 
1 1 1 -14 2  12 o 347.3887 23.29899 10563.64       1374.143 11393.09       1945.497 9737.879       1941.175 356.9104 32.26948 328.3724 35.16427 28.53796       47.72678 
1 1 1 -14 2  13 o 202.6311 10.28334 3529.976       354.6637 0.000000       0.000000 3529.976       354.6637 ?        ?        202.6311 10.28334 0.000000       10.28334 
1 1 1 -14 2  14 o 470.3800 12.24133 19018.12       983.2850 0.000000       0.000000 19018.12       983.2850 ?        ?        470.3800 12.24133 0.000000       12.24133 
1 1 1 -14 2  15 o 337.1623 9.436996 9749.545       543.3438 8940.906       1755.703 9835.194       571.3947 313.5367 33.30121 338.5673 9.883011 -25.03055      34.73679 
1 1 1 -14 2  16 o 240.5710 18.39204 5066.772       749.8458 5341.190       1060.427 4792.338       1060.457 244.1947 25.82146 230.4655 27.48778 13.72925       37.71373 
1 1 1 -14 2  17 o 78.60315 8.155942 535.5717       107.8817 544.9619       156.1059 526.9871       149.2597 78.62868 12.00691 77.36340 11.66017 1.265289       16.73695 
1 1 1 -14 2  18 o 51.34655 8.840778 232.8614       74.72134 139.7092       97.83636 363.2542       115.7526 40.41478 12.71191 64.03783 10.98025 -23.62305      16.79757 
1 1 1 -14 2  19 o 192.8640 5.245555 3184.449       172.7605 3542.639       257.0445 2889.338       233.3161 203.1523 7.409428 183.4618 7.447267 19.69048       10.50530 
1 1 1 -14 2  20 o 69.38869 8.205650 419.9532       95.34821 473.2981       152.1228 385.4356       122.3680 72.77298 12.70332 65.81360 11.29480 6.959381       16.99844 
1 1 1 -14 2  21 f 100.4093 6.183344 868.5058       105.5072 937.4531       164.4893 820.3107       137.5247 103.7583 9.385111 97.20977 8.366046 6.548546       12.57263 
1 1 1 -14 2  22 f 33.14881 10.90291 91.67551       71.44707 42.58482       92.20272 165.4517       113.0322 30.09713 11.97320 43.53949 13.65842 -13.44236      18.16343 
1 1 1 -14 2  23 o 138.8653 5.396897 1654.898       127.9793 1539.209       196.3541 1740.342       168.7469 133.1154 8.685534 142.1674 6.950788 -9.052017      11.12438 
1 1 1 -14 2  24 o 24.97183 10.06513 25.27654       66.05144 5.215879       84.49559 56.79602       105.9134 25.95054 10.99982 32.72708 12.89149 -6.776537      16.94658 
1 1 1 -14 2  25 o 116.8557 5.707257 1174.133       113.8884 1068.409       142.6830 1359.748       189.0565 110.9271 7.577728 124.8224 8.928411 -13.89523      11.71061 
1 1 1 -14 2  26 o 81.70684 12.06404 600.5783       163.2636 527.0779       228.4102 677.3590       233.4516 74.38546 18.14355 85.11428 16.65814 -10.72882      24.63091 
1 1 1 -14 2  27 o 128.7745 6.193809 1429.116       136.2039 1176.044       177.9894 1786.719       211.5789 115.8750 9.067337 143.0963 8.699770 -27.22135      12.56593 
1 1 1 -14 2  28 o 131.4158 5.785972 1487.964       129.8452 1330.776       165.1669 1742.288       210.0914 123.5729 7.867990 141.1318 8.760559 -17.55894      11.77509 
1 1 1 -14 2  29 o 127.2956 8.727197 1424.613       188.5645 1424.613       188.5645 0.000000       0.000000 127.2956 8.727197 ?        ?        0.000000       8.727197 
1 1 1 -14 2  30 o 111.6475 6.045395 1084.071       114.8297 1068.118       144.2634 1111.656       189.6970 110.1935 7.715190 111.2923 10.09118 -1.098724      12.70260 
1 1 1 -14 2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2  32 o 65.68758 8.441998 390.8339       92.50421 328.1731       119.0763 486.2050       146.9048 58.28269 12.34812 71.14290 12.55088 -12.86021      17.60683 
1 1 1 -14 2  33 o 17.75730 8.505491 -92.78881      73.65500 -46.97824      103.3667 -140.0403      104.9798 24.35006 11.12844 20.65025 9.958511 3.699812       14.93366 
1 1 1 -14 2  34 o 66.31660 9.108258 411.0447       100.4239 423.7411       120.5676 382.2812       181.4725 66.05065 11.08186 57.84495 17.14623 8.205704       20.41570 
1 1 1 -14 2  35 o 100.0085 6.914776 906.4893       117.3660 932.3442       141.4126 849.2567       210.3968 100.1320 8.346187 89.00938 14.32835 11.12258       16.58193 
1 1 1 -14 2  36 o 74.97338 9.053515 538.6008       113.5646 495.7194       136.2068 636.3909       205.6892 69.26758 11.94662 72.49754 16.92253 -3.229965      20.71458 
1 1 1 -14 2  37 o 38.74980 12.68943 167.7826       96.81876 189.2724       119.2304 126.1797       165.8949 40.14832 14.07333 35.90511 15.32210 4.243202       20.80446 
1 1 1 -14 3  1  f 271.0759 5.548823 6280.891       256.8584 6539.845       363.1181 6021.553       363.3873 276.4705 7.691254 265.2650 8.022098 11.20551       11.11348 
1 1 1 -14 3  2  o 479.8920 7.640243 19702.44       626.1128 19749.11       901.8239 19659.01       869.9504 479.9498 11.00333 478.9180 10.63730 1.031860       15.30442 
1 1 1 -14 3  3  o 187.7796 6.573481 3015.048       210.7879 3089.355       233.7025 2690.896       488.1146 190.0521 7.200933 175.9897 16.43183 14.06235       17.94042 
1 1 1 -14 3  4  o 470.3121 11.03312 18962.24       886.1078 19004.33       959.9437 18719.78       2303.968 470.6717 11.94334 460.8221 29.43163 9.849609       31.76262 
1 1 1 -14 3  5  o 361.8829 8.967263 11211.48       554.1533 11348.27       602.5419 10461.02       1411.355 364.0023 9.693513 345.9446 24.03993 18.05768       25.92070 
1 1 1 -14 3  6  o 247.8870 6.969114 5255.118       295.0077 5322.807       310.0877 4609.521       957.6445 249.4600 7.279166 228.7255 24.92149 20.73457       25.96280 
1 1 1 -14 3  7  o 370.9385 9.357119 11783.08       592.7150 11983.16       623.0186 9875.089       1923.893 374.0269 9.754305 331.9310 34.44293 42.09589       35.79752 
1 1 1 -14 3  8  o 250.7206 18.80373 5461.912       799.2107 5344.167       1129.974 5579.773       1130.536 245.6230 27.40730 251.2434 26.76238 -5.620407      38.30647 
1 1 1 -14 3  9  o 217.3976 17.38832 4103.601       640.1247 4490.042       904.3419 3715.564       906.2070 225.8965 23.80165 204.4910 26.57924 21.40547       35.67877 
1 1 1 -14 3  10 o 97.17783 13.29849 826.3321       214.8936 931.4658       310.2977 729.4365       297.8926 102.3012 18.44052 90.06185 19.89967 12.23933       27.13024 
1 1 1 -14 3  11 o 432.6830 27.95660 16525.17       2054.600 17817.05       2908.145 15237.72       2903.148 442.7795 38.85429 406.9293 42.40078 35.85016       57.51072 
1 1 1 -14 3  12 o 190.8034 9.410617 3119.602       306.6240 0.000000       0.000000 3119.602       306.6240 ?        ?        190.8034 9.410617 0.000000       9.410617 
1 1 1 -14 3  13 f 337.1664 9.266550 9742.649       533.5366 9716.452       1734.098 9745.389       560.7369 329.1546 31.22484 337.1482 9.739494 -7.993561      32.70854 
1 1 1 -14 3  14 o 220.3980 17.27188 4231.295       644.8508 4341.045       917.5629 4124.188       906.4521 221.0165 24.73549 215.2233 25.13701 5.793259       35.26632 
1 1 1 -14 3  15 o 418.1078 10.48111 15015.82       748.3375 16011.79       2512.424 14918.86       783.9186 417.6431 35.56660 416.6249 11.01853 1.018158       37.23427 
1 1 1 -14 3  16 o 359.0923 9.453897 11072.81       579.7209 11476.39       1436.030 10994.23       633.6490 359.6349 23.51240 357.6082 10.37623 2.026672       25.70017 
1 1 1 -14 3  17 o 247.9549 7.212383 5269.822       305.3891 4791.892       703.7983 5380.681       338.9621 233.5396 17.78121 250.4492 7.925553 -16.90959      19.46755 
1 1 1 -14 3  18 o 240.7099 5.802681 4961.816       238.5199 5320.232       333.3033 4585.595       341.4815 248.9498 7.840179 230.9879 8.657174 17.96191       11.67969 
1 1 1 -14 3  19 o 128.9633 6.059049 1425.514       133.4359 1440.091       193.6770 1412.342       184.1007 129.0470 8.842080 127.8572 8.480082 1.189873       12.25129 
1 1 1 -14 3  20 o 168.1229 4.815920 2420.306       138.2637 2427.860       181.1517 2409.766       213.9956 168.2131 6.306385 167.4177 7.485170 0.7954712      9.787659 
1 1 1 -14 3  21 o 158.2956 5.216841 2147.700       141.0193 2157.513       180.6132 2132.377       225.7010 158.4640 6.674473 157.0232 8.448273 1.440811       10.76670 
1 1 1 -14 3  22 o 51.93849 9.053881 239.8575       77.38251 246.0431       105.3484 232.6095       114.0382 52.07067 12.08124 50.57008 13.10013 1.500595       17.82049 
1 1 1 -14 3  23 o 135.7617 4.721574 1580.058       109.4627 1512.034       147.7080 1662.928       163.0310 132.5654 6.524871 138.9652 6.870085 -6.399811      9.474810 
1 1 1 -14 3  24 o 106.0178 5.933477 969.4268       106.9900 1098.972       178.6529 896.9852       133.5962 112.0814 9.421551 101.5979 7.758958 10.48346       12.20521 
1 1 1 -14 3  25 o 102.0980 6.147403 900.6491       106.6796 801.3174       167.9689 967.8057       138.1113 95.18366 10.50916 105.5000 7.719710 -10.31635      13.03980 
1 1 1 -14 3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3  27 o 193.8261 5.358296 3230.828       177.3540 3246.290       225.6121 3205.819       286.9352 193.8616 6.815044 191.9320 8.754563 1.929626       11.09447 
1 1 1 -14 3  28 o 103.6679 6.096668 930.2513       107.4541 999.6504       143.7339 842.3216       161.7894 106.9897 7.923446 97.55560 9.846434 9.434082       12.63856 
1 1 1 -14 3  29 o 193.5689 5.210199 3229.595       172.2232 3193.841       214.2114 3294.952       289.6229 191.9779 6.534155 193.8656 8.748433 -1.887711      10.91926 
1 1 1 -14 3  30 o 55.08411 9.704372 277.1813       87.94934 284.4674       114.8761 266.8619       136.7128 54.79828 12.54655 52.48551 14.67926 2.312771       19.31053 
1 1 1 -14 3  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 3  32 o 60.24170 9.043591 332.9984       90.16074 412.2087       113.6991 198.8116       147.9861 66.48375 10.35163 45.15456 15.68721 21.32919       18.79481 
1 1 1 -14 3  33 o 79.21566 8.141138 569.5956       108.5612 530.1554       117.3518 803.6562       285.8806 75.75007 9.265169 82.78311 20.36320 -7.033043      22.37193 
1 1 1 -14 3  34 f 50.60588 12.45558 261.2282       106.9117 217.1085       116.2119 504.2490       272.7444 45.45721 13.77750 61.19166 21.29460 -15.73445      25.36295 
1 1 1 -14 3  35 o 36.86401 13.13866 138.0226       104.2907 127.8589       113.3718 193.9488       265.9429 36.12260 13.56398 43.34995 18.94733 -7.227348      23.30199 
1 1 1 -14 3  36 o 46.08203 13.01856 233.2637       106.9681 221.6079       116.3712 296.7692       271.6324 44.29480 13.85272 46.03219 19.62400 -1.737389      24.02081 
1 1 1 -14 3  37 f 23.05480 10.59814 -28.56165      95.63135 -52.88734      109.5745 49.19125       195.9002 23.42523 10.96374 33.40794 15.28761 -9.982708      18.81262 
1 1 1 -14 4  1  o 431.4772 7.870183 15933.16       579.8886 15550.14       834.0297 16291.59       806.8196 425.7011 11.47294 435.8475 10.84027 -10.14639      15.78416 
1 1 1 -14 4  2  o 358.9960 6.557456 11021.26       402.0009 11111.18       575.7911 10935.75       561.5080 360.1652 9.361842 357.3298 9.202054 2.835419       13.12714 
1 1 1 -14 4  3  o 241.1440 4.940348 4969.384       203.4398 5232.770       288.9068 4710.327       286.5227 247.3535 6.839712 234.6628 7.150112 12.69069       9.894734 
1 1 1 -14 4  4  o 355.6514 8.860614 10829.79       538.1338 10604.89       584.5179 12080.54       1378.417 351.8394 9.728625 372.4469 21.76751 -20.60751      23.84262 
1 1 1 -14 4  5  o 214.8860 6.479817 3948.459       237.7786 4046.291       250.0732 3026.271       767.7827 217.5191 6.732368 184.6892 24.98557 32.82988       25.87670 
1 1 1 -14 4  6  o 388.4268 8.135825 12912.30       539.6506 13242.50       564.0407 9340.020       1855.209 393.3320 8.397485 322.5713 34.20118 70.76077       35.21702 
1 1 1 -14 4  7  o 106.4012 6.036650 971.0079       109.2326 1067.330       119.2877 470.8400       271.8264 111.5499 6.287805 72.81381 20.81691 38.73611       21.74581 
1 1 1 -14 4  8  o 312.3914 5.628175 8342.038       300.2400 9280.407       334.9297 4503.007       677.4502 329.4706 5.952989 227.7170 17.55676 101.7536       18.53855 
1 1 1 -14 4  9  o 365.0668 7.635147 11404.29       475.9833 11952.09       525.1842 8884.763       1126.324 373.6655 8.230509 319.3560 20.76600 54.30948       22.33759 
1 1 1 -14 4  10 o 337.8547 23.62417 10003.89       1354.399 0.000000       0.000000 10003.89       1354.399 ?        ?        337.8547 23.62417 0.000000       23.62417 
1 1 1 -14 4  11 o 238.1174 10.27262 4862.208       417.7095 7096.406       1176.818 4540.149       446.8027 283.8288 24.52091 229.9837 11.37671 53.84505       27.03155 
1 1 1 -14 4  12 o 144.0307 14.44851 1804.859       350.5786 1707.225       497.2991 1901.319       494.3006 138.4078 21.75845 146.5959 20.28940 -8.188080      29.75046 
1 1 1 -14 4  13 o 47.80208 13.49523 201.9881       114.9857 321.7061       197.3184 140.4284       141.4935 60.45242 17.86933 43.25544 15.31573 17.19698       23.53475 
1 1 1 -14 4  14 o 74.69756 10.73184 488.9958       132.9619 288.2810       252.5229 565.9862       156.3974 59.84610 20.50848 80.28986 11.75507 -20.44376      23.63851 
1 1 1 -14 4  15 o 311.9915 8.586764 8349.121       457.4823 8160.270       1100.748 8388.553       502.9805 304.2007 21.32456 312.5821 9.422914 -8.381317      23.31369 
1 1 1 -14 4  16 o 165.4315 7.119594 2345.181       201.1293 2279.320       412.2493 2365.756       230.4126 161.3991 15.13416 166.0651 8.125049 -4.665970      17.17729 
1 1 1 -14 4  17 f 54.05529 10.05093 259.4980       89.36343 293.8007       115.4393 208.2030       141.1648 57.24891 12.18237 49.01158 15.24569 8.237324       19.51515 
1 1 1 -14 4  18 o 109.6979 6.695097 1035.789       124.8169 882.3693       217.5136 1111.110       152.4069 100.0245 13.04495 113.4556 7.916019 -13.43116      15.25890 
1 1 1 -14 4  19 o 80.36610 6.403583 557.5471       87.15224 477.7868       113.5747 671.7733       135.9161 73.89131 9.200150 87.80552 9.201264 -13.91421      13.01177 
1 1 1 -14 4  20 o 125.3060 5.331380 1345.724       114.0810 1222.562       148.3122 1524.179       178.5266 119.0136 7.333284 132.8264 7.906516 -13.81279      10.78379 
1 1 1 -14 4  21 f 140.1195 5.510340 1683.970       131.8496 1727.396       197.5478 1649.085       177.0575 141.2919 8.223096 138.1901 7.531423 3.101776       11.15086 
1 1 1 -14 4  22 o 40.30689 9.013641 146.0726       60.48591 68.88058       80.58981 245.6472       91.53098 31.26904 11.49360 52.23101 10.62382 -20.96196      15.65146 
1 1 1 -14 4  23 o 87.73508 6.314243 665.5645       93.96859 556.4179       132.6954 775.3591       133.0887 79.38202 10.01151 94.31534 8.349661 -14.93332      13.03638 
1 1 1 -14 4  24 o 135.5130 5.030253 1576.274       116.4053 1527.739       150.9584 1647.462       182.8248 133.1499 6.639180 137.8178 7.800336 -4.667892      10.24324 
1 1 1 -14 4  25 o 51.98808 15.09958 248.5765       141.9940 277.3502       151.4414 39.30639       408.4135 54.71663 15.50155 54.46721 23.64785 0.2494240      28.27577 
1 1 1 -14 4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4  27 o 225.7534 6.560315 4400.629       252.9070 3950.597       383.3409 4747.485       336.5407 212.0082 10.58840 233.6312 8.435383 -21.62305      13.53772 
1 1 1 -14 4  28 o 111.7049 6.101834 1080.429       115.9545 1053.652       145.0555 1127.827       192.9922 109.8300 7.784557 112.7928 10.12767 -2.962723      12.77376 
1 1 1 -14 4  29 o 65.82065 8.566904 386.0779       94.00949 480.2053       125.8263 267.1442       141.4379 72.85797 10.40919 52.87732 14.98095 19.98065       18.24226 
1 1 1 -14 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 4  31 o 108.3493 6.460178 1030.418       118.9855 1025.681       148.8700 1038.796       197.9828 107.2219 8.192590 106.0627 11.09530 1.159233       13.79218 
1 1 1 -14 4  32 o 159.1471 7.870853 2258.981       213.9057 2258.981       213.9057 0.000000       0.000000 159.1471 7.870853 ?        ?        0.000000       7.870853 
1 1 1 -14 4  33 o 76.98190 8.820252 545.1964       113.8579 492.6779       123.6609 837.6006       291.7883 72.21041 10.32209 83.81152 20.54606 -11.60111      22.99318 
1 1 1 -14 4  34 o 54.52249 11.69976 298.6676       105.6709 266.5291       113.9958 494.9102       281.6903 50.48619 13.10711 59.39822 21.54037 -8.912025      25.21476 
1 1 1 -14 4  35 f 33.44636 12.93950 101.6298       105.1558 101.4983       118.7384 102.1083       226.4186 34.03575 13.57243 38.46082 17.11662 -4.425076      21.84467 
1 1 1 -14 4  36 o 41.47234 13.52040 193.7628       109.9598 246.5874       125.7074 21.65935       226.9016 45.91861 14.40375 34.58406 16.04901 11.33455       21.56476 
1 1 1 -14 5  1  o 419.7846 9.452444 15104.02       677.5986 15458.86       734.6727 13082.76       1753.429 424.5656 10.13321 384.6575 26.86255 39.90808       28.71025 
1 1 1 -14 5  2  o 145.3107 5.508214 1805.104       136.6817 1882.585       150.8844 1450.691       322.7012 148.3811 5.954752 128.9253 14.93405 19.45584       16.07747 
1 1 1 -14 5  3  o 398.2010 6.917348 13564.20       470.3747 12937.99       673.9520 14158.94       656.8001 388.4783 10.15922 406.5045 9.461630 -18.02618      13.88280 
1 1 1 -14 5  4  o 216.0304 4.912403 3988.470       181.2220 3820.128       245.2212 4191.042       268.9991 211.3324 6.795009 221.3353 7.117019 -10.00288      9.839924 
1 1 1 -14 5  5  o 350.2156 8.882010 10504.06       531.1885 10596.61       554.6133 9477.348       1847.248 351.7122 9.234238 324.5877 33.82343 27.12442       35.06131 
1 1 1 -14 5  6  o 198.0401 6.601597 3354.340       223.2564 3337.051       234.5473 3521.061       728.3346 197.5108 6.954047 200.1674 21.65273 -2.656586      22.74202 
1 1 1 -14 5  7  o 159.5001 6.076933 2175.304       165.5188 2195.615       183.6252 2087.283       382.2620 160.2176 6.711507 155.0370 14.61089 5.180603       16.07863 
1 1 1 -14 5  8  o 249.9655 8.405376 5350.043       358.7891 5159.878       391.2360 6355.956       899.8157 245.4022 9.335949 270.0807 19.64462 -24.67851      21.75019 
1 1 1 -14 5  9  o 508.0129 9.415674 22116.10       816.8232 20733.66       1143.105 23558.44       1167.610 490.8976 13.63620 523.4346 13.06271 -32.53696      18.88334 
1 1 1 -14 5  10 o 467.0745 9.986470 18707.51       796.5263 19256.06       864.4506 15622.75       2049.963 473.7252 10.68592 419.4039 28.79724 54.32126       30.71596 
1 1 1 -14 5  11 o 250.7299 7.878743 5383.003       337.3378 5315.208       371.2022 5704.530       808.3913 249.0654 8.727607 255.7937 18.63489 -6.728241      20.57742 
1 1 1 -14 5  12 o 239.7380 9.343031 4928.845       382.4958 7348.060       1138.006 4620.739       406.1230 288.5946 23.28999 232.0210 10.25011 56.57361       25.44579 
1 1 1 -14 5  13 o 231.0298 7.912294 4573.300       312.1565 4016.265       884.1387 4652.625       333.6433 211.9323 24.90473 232.9746 8.386330 -21.04231      26.27882 
1 1 1 -14 5  14 o 45.60276 10.49389 185.9061       80.02312 166.3816       103.4442 215.0029       126.2812 43.61882 12.94909 49.32150 14.21505 -5.702675      19.22879 
1 1 1 -14 5  15 o 98.93922 8.765680 846.8965       146.5671 1233.040       258.9709 664.9226       177.7793 118.7767 12.97910 86.94197 12.31894 31.83469       17.89451 
1 1 1 -14 5  16 o 261.4153 8.464036 5869.168       377.8422 6269.751       892.3963 5781.670       417.0710 266.0840 19.78124 259.2789 9.419785 6.805145       21.90958 
1 1 1 -14 5  17 o 219.2591 5.401447 4116.233       202.2412 3873.863       291.5680 4340.971       280.7625 212.3463 8.040689 224.9045 7.310365 -12.55817      10.86711 
1 1 1 -14 5  18 o 215.8628 5.219286 3990.679       192.3937 3739.543       269.5304 4251.570       274.7152 208.6121 7.566001 222.4972 7.230298 -13.88512      10.46526 
1 1 1 -14 5  19 o 274.3242 6.418746 6459.430       300.6881 6288.898       414.9905 6647.909       436.2823 269.9925 9.000873 277.5261 9.205807 -7.533661      12.87488 
1 1 1 -14 5  20 f 306.5469 5.608223 8059.854       293.5784 7998.704       365.2833 8171.411       493.3811 304.9946 7.013516 307.4111 9.398554 -2.416534      11.72699 
1 1 1 -14 5  21 o 169.5085 4.770035 2462.393       138.0750 2473.859       180.7622 2446.333       213.9386 169.6808 6.238396 168.5118 7.434587 1.169006       9.705187 
1 1 1 -14 5  22 o 93.21356 5.827251 749.2908       92.29106 693.6677       127.1881 811.1485       134.1267 89.17526 8.453149 96.54457 8.213569 -7.369308      11.78637 
1 1 1 -14 5  23 o 154.6720 4.740667 2051.838       125.2140 2070.047       167.5582 2028.810       188.4330 155.0859 6.326906 153.3548 7.195443 1.731079       9.581448 
1 1 1 -14 5  24 o 121.2975 5.103275 1263.427       105.7068 1242.877       142.0506 1288.929       158.2404 119.8161 6.972811 121.8561 7.643149 -2.040016      10.34591 
1 1 1 -14 5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5  26 o 35.99731 11.34753 113.2621       77.91841 132.3207       128.7766 102.2548       97.86594 40.84449 14.59528 35.99133 12.73819 4.853157       19.37224 
1 1 1 -14 5  27 f 130.7397 5.181369 1470.086       115.6788 1580.261       160.1660 1349.945       167.2532 134.9821 6.972329 124.4474 7.911306 10.53470       10.54524 
1 1 1 -14 5  28 o 68.89130 10.66237 429.1758       121.3834 149.1861       218.4025 554.3165       146.0110 46.93029 18.50389 78.24674 11.25101 -31.31645      21.65593 
1 1 1 -14 5  29 o 40.75237 14.67303 139.2848       130.3857 359.7990       232.8123 38.51255       157.3830 59.85228 19.68105 35.71396 15.06825 24.13831       24.78701 
1 1 1 -14 5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5  31 o 22.04758 9.924123 -29.26299      78.49185 -8.320013      91.30080 -88.59036      153.6678 25.23454 11.06370 28.63889 13.26087 -3.404343      17.27009 
1 1 1 -14 5  32 o 57.03256 9.738017 304.4615       91.43605 296.8296       97.71735 358.1652       259.2133 55.84824 10.63455 55.79332 20.59611 0.5492783E-01  23.17959 
1 1 1 -14 5  33 o 32.27077 13.57064 52.83549       126.9748 52.83549       126.9748 0.000000       0.000000 32.27077 13.57064 ?        ?        0.000000       13.57064 
1 1 1 -14 5  34 o 75.76521 8.573628 536.7511       108.9746 502.0871       121.6200 677.9225       245.4365 72.03534 10.16969 73.16324 19.34818 -1.127899      21.85806 
1 1 1 -14 5  35 o 32.12007 12.24142 93.88800       93.15875 162.7850       101.7409 -263.5826      231.7478 39.05573 13.01859 28.40518 13.93885 10.65055       19.07289 
1 1 1 -14 5  36 o 30.76304 12.01857 86.24413       91.40922 81.32073       96.71583 127.4521       279.8050 30.59453 12.23286 38.82417 17.94777 -8.229645      21.72016 
1 1 1 -14 6  1  o 186.6685 6.275708 2981.331       200.0486 2741.602       683.8172 3003.768       209.2010 175.2723 23.43346 187.3530 6.538844 -12.08075      24.32866 
1 1 1 -14 6  2  o 270.7334 7.368578 6275.010       340.6649 6346.149       356.2783 5516.317       1163.510 272.2340 7.663815 248.0716 27.95292 24.16241       28.98448 
1 1 1 -14 6  3  o 230.9001 6.890949 4562.291       271.7096 4621.356       284.4584 3947.293       917.8802 232.3688 7.168678 210.2302 26.13129 22.13861       27.09676 
1 1 1 -14 6  4  o 237.6767 4.542089 4827.813       184.3504 4770.412       246.9745 4900.033       277.0279 236.1694 6.123877 239.3108 6.778900 -3.141388      9.135389 
1 1 1 -14 6  5  o 329.9698 5.726364 9310.107       322.6674 9043.495       460.2180 9567.876       452.5206 324.9507 8.293623 334.2831 7.927241 -9.332397      11.47281 
1 1 1 -14 6  6  o 565.5036 9.162030 27407.18       884.7672 28860.05       1275.354 26059.18       1228.463 579.2416 12.89345 550.3605 13.07112 28.88110       18.36015 
1 1 1 -14 6  7  o 255.1172 8.469891 5575.156       368.9941 5532.525       387.7345 5984.467       1201.420 254.0935 8.935913 259.0184 27.58657 -4.924881      28.99775 
1 1 1 -14 6  8  o 101.5878 6.801519 886.9927       117.3095 838.2579       131.3954 1078.435       260.4234 98.63082 7.866709 111.0191 14.05119 -12.38832      16.10345 
1 1 1 -14 6  9  o 340.5026 9.052669 9938.876       526.3795 9923.902       571.7007 10022.24       1348.962 340.1232 9.843071 337.3331 23.56545 2.790039       25.53853 
1 1 1 -14 6  10 o 323.1821 7.285964 8942.405       402.1021 9729.107       565.3396 8136.957       572.0359 336.7211 9.831895 307.7669 10.88427 28.95419       14.66743 
1 1 1 -14 6  11 o 142.7852 5.266117 1743.451       128.4031 2098.285       156.2113 1004.276       225.4621 156.6150 5.840864 107.2717 12.54490 49.34328       13.83800 
1 1 1 -14 6  12 o 93.97591 6.634700 759.8279       105.7890 780.9351       152.9772 740.4828       146.4524 94.89693 9.570720 92.40509 9.412498 2.491837       13.42363 
1 1 1 -14 6  13 o 121.9700 6.451672 1277.314       133.8998 1264.527       170.2456 1298.053       216.8145 121.1382 8.279477 122.4094 10.47304 -1.271286      13.35044 
1 1 1 -14 6  14 o 385.8119 9.618820 12797.76       633.7228 11867.58       1602.880 12970.10       689.9361 362.8883 26.03892 388.1719 10.40837 -25.28357      28.04210 
1 1 1 -14 6  15 o 279.2190 8.124382 6694.146       387.3800 6699.132       941.5103 6693.130       425.0223 274.7046 20.21242 279.0378 8.919631 -4.333130      22.09303 
1 1 1 -14 6  16 o 104.7176 6.497908 943.7323       115.6234 785.1998       168.5897 1084.520       158.8746 94.80779 10.59436 112.0136 8.366198 -17.20577      13.49940 
1 1 1 -14 6  17 o 40.33595 10.45139 145.8504       72.57407 168.3974       97.72398 118.1233       108.3701 43.51871 12.49393 38.70629 13.42554 4.812420       18.33967 
1 1 1 -14 6  18 o 237.7303 5.723544 4845.653       232.3547 5156.425       340.6729 4575.340       317.7245 244.7119 8.152308 230.5307 8.070866 14.18121       11.47166 
1 1 1 -14 6  19 o 115.5613 5.487551 1145.106       108.2911 1137.101       154.5017 1152.836       151.8268 114.6237 7.942235 115.4547 7.745663 -0.8310623     11.09389 
1 1 1 -14 6  20 o 180.5993 4.562634 2794.049       140.7128 2737.795       181.3276 2879.207       223.1004 178.5672 5.946486 182.8952 7.143254 -4.328064      9.294449 
1 1 1 -14 6  21 o 131.6382 6.107917 1489.315       137.3020 1452.307       143.2882 1904.679       480.0399 129.9423 6.457401 143.2001 20.19093 -13.25781      21.19839 
1 1 1 -14 6  22 o 155.8293 4.667122 2082.120       124.1939 2184.864       163.1935 1940.726       191.4429 159.4095 5.994967 149.9509 7.476327 9.458633       9.583063 
1 1 1 -14 6  23 o 53.25531 8.733612 252.1889       76.67120 290.3604       111.8445 218.3480       105.3093 56.45747 11.97219 48.84325 12.55647 7.614216       17.34930 
1 1 1 -14 6  24 o 16.16394 8.088817 -258.0888      93.91374 -253.0557      98.20010 -311.9958      321.3792 16.91138 8.433209 38.82760 18.35904 -21.91622      20.20330 
1 1 1 -14 6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6  26 o 209.5371 4.987805 3773.217       178.4729 3953.533       229.7261 3498.689       283.4563 214.0792 6.283967 200.6374 8.273176 13.44177       10.38911 
1 1 1 -14 6  27 o 141.4110 5.151018 1721.137       124.3879 1806.008       167.3905 1616.480       185.8812 144.4324 6.786786 136.0453 8.036776 8.387039       10.51904 
1 1 1 -14 6  28 o 50.39760 11.05691 234.9708       92.54292 215.7969       116.1122 268.3613       153.2264 47.89317 13.57526 52.96247 15.76832 -5.069309      20.80692 
1 1 1 -14 6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 6  30 o 42.97051 14.45549 173.4792       125.4357 -214.9909      278.0683 272.7233       140.5481 35.71248 16.94201 52.33387 14.97101 -16.62139      22.60891 
1 1 1 -14 6  31 o 155.0986 6.605873 2116.974       174.9605 1695.814       280.4863 2385.219       223.8482 133.4486 12.45208 163.4841 8.018189 -30.03545      14.81032 
1 1 1 -14 6  32 f 50.30817 10.36812 242.1456       86.10979 242.3198       90.07655 240.2980       293.4004 50.09136 10.84475 49.48493 20.70865 0.6064301      23.37641 
1 1 1 -14 6  33 o 82.36060 7.756811 619.3567       107.8098 666.6207       115.5394 301.1530       299.7903 85.27347 8.028935 49.96416 20.92311 35.30931       22.41072 
1 1 1 -14 6  34 o 45.48473 12.95568 221.3493       105.4890 221.3493       105.4890 0.000000       0.000000 45.48473 12.95568 ?        ?        0.000000       12.95568 
1 1 1 -14 6  35 o 67.89845 10.11776 455.8332       113.7303 506.1338       123.2601 167.7520       294.9804 71.29817 10.43242 41.51015 18.90414 29.78802       21.59171 
1 1 1 -14 6  36 o 72.73547 8.531544 510.5654       103.9555 492.7242       113.2806 605.7433       261.6443 70.32206 9.690680 59.92054 20.85652 10.40152       22.99790 
1 1 1 -14 7  1  o 207.4913 4.798511 3681.418       170.0232 3821.588       243.9694 3549.056       237.0770 211.2502 6.762951 203.5734 6.819718 7.676880       9.604482 
1 1 1 -14 7  2  o 443.0815 10.75689 16880.86       813.9023 15247.44       2874.858 17023.19       848.6216 399.3102 42.82901 444.8229 11.17185 -45.51266      44.26211 
1 1 1 -14 7  3  o 344.5483 8.186079 10175.88       481.6461 10397.99       503.0516 7731.379       1668.883 348.2421 8.459202 289.4334 34.44192 58.80865       35.46553 
1 1 1 -14 7  4  o 249.5260 6.784144 5330.149       289.0765 5408.518       302.4926 4504.996       981.5472 251.3276 7.048110 224.0480 26.14658 27.27960       27.07987 
1 1 1 -14 7  5  o 348.0682 6.454369 10368.49       383.6367 9599.981       560.0388 11047.95       526.5928 334.4102 9.807012 358.9689 8.590456 -24.55869      13.03738 
1 1 1 -14 7  6  o 470.9593 7.880911 19004.21       633.8138 18387.69       911.7613 19580.73       881.6910 462.3366 11.54838 477.3173 10.81701 -14.98062      15.82317 
1 1 1 -14 7  7  f 211.1133 4.817090 3810.451       173.6610 3755.835       243.1437 3867.325       248.1194 209.4580 6.797734 212.5409 6.836224 -3.082916      9.640702 
1 1 1 -14 7  8  o 274.6224 5.930027 6452.634       278.0959 6310.323       375.2260 6626.074       414.2352 271.3362 8.098102 277.9561 8.727079 -6.619812      11.90551 
1 1 1 -14 7  9  o 492.5640 8.800300 20813.44       740.2221 21534.63       1058.829 20124.03       1035.234 499.8669 12.40422 483.1660 12.54701 16.70090       17.64347 
1 1 1 -14 7  10 o 290.1756 6.296570 7207.803       312.0088 7299.339       433.3825 7109.307       449.5560 291.6742 8.701044 287.7787 9.147938 3.895447       12.62509 
1 1 1 -14 7  11 o 276.9770 5.664527 6564.805       267.9225 6535.098       373.2123 6596.394       384.8553 276.0584 7.916860 277.3179 8.126764 -1.259491      11.34553 
1 1 1 -14 7  12 o 258.9200 5.494106 5736.990       242.9207 6043.934       337.8849 5408.595       349.4926 265.5047 7.452374 251.0601 8.151890 14.44455       11.04496 
1 1 1 -14 7  13 o 149.4122 5.513067 1910.874       140.6634 1785.265       193.9312 2050.319       204.3323 144.0124 7.916189 154.3841 7.775483 -10.37177      11.09613 
1 1 1 -14 7  14 o 249.7571 5.732783 5342.264       244.5036 5675.260       334.2104 4958.803       358.6416 257.1266 7.611516 240.1444 8.745535 16.98219       11.59394 
1 1 1 -14 7  15 o 117.7228 5.247221 1186.679       105.4853 1209.565       131.6091 1145.563       176.4002 118.5832 6.524313 114.9945 9.056265 3.588692       11.16166 
1 1 1 -14 7  16 o 209.9750 5.861273 3779.616       210.1655 3820.707       302.2208 3741.138       292.4574 210.6695 8.400802 208.5018 8.213925 2.167648       11.74913 
1 1 1 -14 7  17 o 113.7338 5.891222 1112.375       114.0264 979.7007       161.2798 1244.977       161.2355 106.1959 8.977559 120.0104 7.911943 -13.81450      11.96643 
1 1 1 -14 7  18 o 225.7065 5.822342 4370.790       224.4107 4268.402       321.1285 4468.513       313.7302 222.4535 8.453524 227.7109 8.068088 -5.257431      11.68572 
1 1 1 -14 7  19 o 316.8230 6.254166 8623.793       338.3671 8925.396       472.2170 8305.522       485.0892 321.4305 8.603055 309.8233 9.168655 11.60718       12.57286 
1 1 1 -14 7  20 o 54.70790 7.644122 263.0010       69.46276 234.4982       96.72923 293.3505       99.81373 50.86190 11.41691 57.18674 10.61170 -6.324841      15.58698 
1 1 1 -14 7  21 o 111.4844 5.098690 1066.510       97.06763 917.1356       126.1013 1283.724       152.0639 102.8806 7.223467 121.7716 7.347114 -18.89101      10.30333 
1 1 1 -14 7  22 o 150.1084 4.732555 1932.921       121.3117 1996.301       159.7469 1846.577       186.4543 152.3065 6.142030 146.0171 7.503025 6.289444       9.696386 
1 1 1 -14 7  23 o 195.6364 12.22644 3389.584       406.4135 3308.149       459.6691 3681.211       869.8642 192.1305 14.10896 191.1078 27.44189 1.022705       30.85645 
1 1 1 -14 7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7  25 o 197.7888 4.975067 3361.339       168.0361 3330.065       216.2218 3409.030       267.0126 196.4484 6.445387 198.2469 7.887212 -1.798477      10.18583 
1 1 1 -14 7  26 o 169.0848 4.885657 2457.571       141.0683 2508.986       184.1971 2384.636       219.3863 170.4570 6.327990 165.7146 7.752590 4.742416       10.00730 
1 1 1 -14 7  27 o 49.67127 11.41287 228.3888       94.77251 182.5857       118.1964 310.8566       158.5985 44.63958 13.96099 56.93843 15.77031 -12.29885      21.06210 
1 1 1 -14 7  28 o 77.60628 7.494061 531.7435       98.07980 454.6946       122.7508 667.7874       163.1100 70.58868 10.50330 85.30935 11.48862 -14.72067      15.56624 
1 1 1 -14 7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7  30 o 55.06533 10.11982 283.0936       91.65298 386.1197       107.9442 16.93934       173.4971 64.51114 10.13252 35.03234 15.30807 29.47880       18.35769 
1 1 1 -14 7  31 o 63.66214 8.430423 370.2461       89.39559 278.2949       99.97373 737.0814       199.6837 53.70931 11.26009 85.89975 14.10237 -32.19044      18.04623 
1 1 1 -14 7  32 o 74.83603 7.875823 510.2470       99.13812 515.4353       108.1387 482.9141       248.2057 74.76132 8.628832 62.09337 20.31662 12.66795       22.07310 
1 1 1 -14 7  33 o 62.19693 17.98576 474.1679       201.8596 311.9752       275.5011 662.1693       296.6117 49.17561 20.27811 67.21553 22.22008 -18.03992      30.08212 
1 1 1 -14 7  34 o 36.64740 12.09037 138.6253       87.83279 167.0806       94.41616 -44.33822      239.4123 39.72019 12.48682 34.03807 16.01808 5.682117       20.31008 
1 1 1 -14 7  35 o 30.91200 11.68579 90.23237       84.46144 62.75996       88.15197 397.8777       294.9911 28.60211 11.59278 48.45709 20.54709 -19.85498      23.59185 
1 1 1 -14 8  1  o 186.2781 5.033366 2968.884       160.1114 3145.465       224.4695 2785.991       228.4463 191.5680 6.861712 180.2308 7.422551 11.33723       10.10828 
1 1 1 -14 8  2  o 201.1225 4.645162 3459.525       159.5378 3432.035       230.2751 3484.900       221.2371 200.1381 6.737756 201.7058 6.422995 -1.567688      9.308718 
1 1 1 -14 8  3  o 45.59248 10.44930 186.0061       79.61372 0.000000       0.000000 186.0061       79.61372 ?        ?        45.59248 10.44930 0.000000       10.44930 
1 1 1 -14 8  4  o 452.5871 10.97153 17640.83       847.9523 15596.44       2995.398 17818.93       884.1173 398.1558 44.83573 454.7160 11.38591 -56.56021      46.25885 
1 1 1 -14 8  5  o 216.5648 7.111930 4018.861       263.0131 3959.657       286.9008 4330.632       658.3765 214.8837 7.818555 222.1686 17.49516 -7.284958      19.16274 
1 1 1 -14 8  6  o 334.2673 5.503555 9560.759       314.1516 9642.029       531.3947 9517.095       389.5065 335.0216 9.288433 333.3080 6.843323 1.713593       11.53716 
1 1 1 -14 8  7  o 159.0989 4.199541 2163.999       114.0961 2374.873       171.8449 1997.755       152.5802 166.5577 6.041852 152.7747 5.848504 13.78300       8.408863 
1 1 1 -14 8  8  o 99.29178 4.465389 843.0201       75.71371 962.1575       103.7095 707.0554       110.7918 105.8688 5.758173 90.54009 7.225992 15.32872       9.239671 
1 1 1 -14 8  9  o 151.6612 4.898321 1967.539       126.8597 1973.816       156.5368 1955.528       216.5368 151.8302 6.037491 150.6900 8.448901 1.140137       10.38437 
1 1 1 -14 8  10 o 296.5375 6.235334 7531.968       315.7485 7516.905       439.2793 7548.069       454.1644 295.7986 8.696465 296.3521 8.974353 -0.5534973     12.49670 
1 1 1 -14 8  11 o 224.6428 5.059645 4318.458       194.0951 4471.894       258.6520 4120.689       293.6508 228.4157 6.631136 219.0946 7.848697 9.321075       10.27492 
1 1 1 -14 8  12 o 72.70815 6.204063 456.2896       76.29307 429.6740       92.23825 513.9390       135.7504 70.30938 7.814590 76.45406 10.69011 -6.144676      13.24183 
1 1 1 -14 8  13 o 346.1719 6.339551 10274.57       374.7592 9924.944       524.7407 10638.55       535.3990 339.4995 9.051147 351.5357 8.918795 -12.03622      12.70701 
1 1 1 -14 8  14 o 206.3225 5.430233 3646.890       191.3229 3863.940       286.1970 3471.521       257.2542 211.9762 7.906350 200.9961 7.495025 10.98010       10.89430 
1 1 1 -14 8  15 o 132.5539 4.803854 1504.553       108.7387 1525.700       132.4210 1460.772       190.5361 133.3932 5.813282 129.9163 8.637608 3.476868       10.41165 
1 1 1 -14 8  16 o 265.7505 4.994260 6050.411       226.6455 6139.598       280.1469 5881.446       385.5986 267.4732 6.133433 261.1367 8.647001 6.336487       10.60140 
1 1 1 -14 8  17 o 311.2957 5.354420 8308.941       284.6344 7912.225       349.2294 9093.927       491.2480 303.4010 6.740496 324.4844 8.865538 -21.08337      11.13697 
1 1 1 -14 8  18 o 64.76743 6.953559 365.0499       75.70324 380.2118       100.6027 345.2563       114.9464 65.66024 9.226968 62.04195 11.26434 3.618294       14.56098 
1 1 1 -14 8  19 o 173.3319 5.378995 2578.411       159.2141 2508.684       252.0567 2624.701       205.3725 170.0561 8.708910 174.5959 6.888209 -4.539841      11.10372 
1 1 1 -14 8  20 o 95.38650 6.374401 786.3556       103.2334 844.6004       149.2714 732.9592       142.9236 98.30403 8.991671 91.44975 9.280645 6.854286       12.92209 
1 1 1 -14 8  21 o 144.2870 4.518526 1785.160       111.3335 1678.568       141.7962 1956.502       179.7770 139.6961 5.943997 150.6071 6.990152 -10.91106      9.175693 
1 1 1 -14 8  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8  24 o 132.0035 5.724450 1500.036       129.0390 1632.923       181.2086 1363.327       183.7963 137.0450 7.775103 124.9040 8.670759 12.14095       11.64621 
1 1 1 -14 8  25 o 91.86173 7.166189 734.9280       111.5260 688.3450       138.6454 820.3290       187.7252 88.27698 9.339013 95.58575 11.74808 -7.308777      15.00782 
1 1 1 -14 8  26 o 73.44279 9.084685 479.8266       111.5059 464.8181       133.9147 513.7582       201.3547 71.48739 11.34898 73.04611 16.52817 -1.558723      20.04943 
1 1 1 -14 8  27 o 84.69837 7.587214 632.1719       108.5756 718.6653       141.4794 508.2450       169.3497 89.64407 9.381022 73.15093 14.06785 16.49314       16.90881 
1 1 1 -14 8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 8  29 o 96.15790 6.420909 812.6700       104.8285 737.7239       124.2535 997.7477       195.2591 90.83527 8.095206 103.7349 11.20034 -12.89964      13.81955 
1 1 1 -14 8  30 o 31.41133 11.10313 84.65730       74.33171 -14.76130      89.38136 307.6065       133.8493 24.42034 10.81659 55.11388 14.14936 -30.69354      17.81019 
1 1 1 -14 8  31 o 62.35081 7.271559 351.0276       75.96893 291.2413       90.02284 498.9353       141.5947 55.48565 9.862377 71.48602 12.02604 -16.00037      15.55288 
1 1 1 -14 8  32 o 79.08499 6.658425 562.5255       89.08567 557.6432       110.6822 571.5065       150.1173 77.53802 8.498372 75.69538 12.01479 1.842636       14.71657 
1 1 1 -14 8  33 o 69.57223 8.794281 458.4211       102.1476 407.4495       112.3522 701.3971       245.3011 64.15525 10.62727 73.57941 19.28768 -9.424164      22.02166 
1 1 1 -14 8  34 o 45.38403 11.75424 217.8771       91.82222 229.9415       99.13669 145.0527       243.5683 46.20955 12.33323 39.65578 17.69294 6.553772       21.56731 
1 1 1 -14 8  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9  1  o 261.8762 5.233503 5871.924       234.0402 5710.831       337.1092 6021.817       325.1787 257.8482 7.656045 264.8692 7.189334 -7.021027      10.50245 
1 1 1 -14 9  2  o 127.9461 4.225993 1400.198       92.33320 1283.422       124.2747 1544.090       137.9513 122.3895 5.946163 134.2385 6.017924 -11.84908      8.460039 
1 1 1 -14 9  3  o 203.3955 4.548494 3539.264       157.9832 3627.314       253.4857 3483.339       202.0172 205.6018 7.219790 201.6501 5.866621 3.951706       9.302829 
1 1 1 -14 9  4  o 99.05961 4.659911 839.5481       78.82721 876.8471       117.7501 809.2572       106.1129 100.8849 6.875906 96.95515 6.445802 3.929794       9.424778 
1 1 1 -14 9  5  o 172.0047 5.213923 2532.452       153.1464 3464.904       622.7499 2472.431       157.9985 197.4922 18.68772 169.9349 5.444631 27.55733       19.46471 
1 1 1 -14 9  6  o 135.3110 4.761550 1566.563       110.0230 1613.002       135.5425 1476.859       188.3818 137.2336 5.783795 130.8142 8.478658 6.419434       10.26352 
1 1 1 -14 9  7  o 79.08374 5.588373 538.2219       74.98416 512.1085       101.8806 569.0869       110.7626 76.82655 7.877039 80.99216 8.117716 -4.165611      11.31128 
1 1 1 -14 9  8  o 169.3429 4.481864 2453.262       129.6067 2703.545       196.3694 2260.081       172.5208 177.5852 6.475376 162.3937 6.221147 15.19150       8.979597 
1 1 1 -14 9  9  o 78.80869 5.526613 534.5081       73.90588 545.9656       98.78828 519.9442       111.3780 79.41367 7.368594 77.28599 8.584132 2.127686       11.31298 
1 1 1 -14 9  10 o 93.55562 5.475440 752.2278       87.09505 801.2534       106.4460 652.9310       151.4905 96.44209 6.501331 86.33724 10.49063 10.10484       12.34182 
1 1 1 -14 9  11 o 187.3893 4.983074 3006.488       159.4572 2996.307       215.4308 3018.825       237.1426 186.8569 6.751445 187.4613 7.407917 -0.6044006     10.02294 
1 1 1 -14 9  12 o 223.7804 5.149151 4289.224       196.7703 4276.876       270.7224 4303.052       286.4976 223.1423 7.104610 223.7484 7.498238 -0.6060333     10.32952 
1 1 1 -14 9  13 o 139.2046 5.662363 1661.230       134.6025 1403.465       208.8963 1844.230       176.0131 127.1000 9.697803 146.5115 7.035117 -19.41145      11.98083 
1 1 1 -14 9  14 o 201.0079 4.468974 3459.102       153.3991 3314.243       194.9662 3694.501       248.5364 196.5726 5.808102 207.3276 7.019898 -10.75502      9.111148 
1 1 1 -14 9  15 o 392.7491 6.263182 13244.84       420.0608 13001.47       515.3004 13726.90       725.2275 388.5382 7.766491 397.7097 10.67840 -9.171509      13.20404 
1 1 1 -14 9  16 o 167.1852 4.426829 2393.911       126.3842 2354.289       154.4753 2474.128       219.7974 165.6629 5.460495 169.4565 7.595606 -3.793640      9.354691 
1 1 1 -14 9  17 o 149.9633 4.353906 1926.357       111.4977 1888.366       137.0929 2000.588       191.6283 148.3476 5.411685 152.3712 7.364695 -4.023666      9.139205 
1 1 1 -14 9  18 o 146.9876 4.419597 1851.372       110.9342 1744.827       141.7048 2020.039       178.2919 142.5075 5.822975 153.1590 6.816904 -10.65147      8.965334 
1 1 1 -14 9  19 o 126.0186 4.576570 1361.551       98.48651 1374.285       128.0809 1343.131       154.0485 126.4295 5.932450 124.5668 7.273532 1.862747       9.386066 
1 1 1 -14 9  20 f 72.34457 5.610909 452.4992       68.77496 413.3578       86.18970 521.1029       114.1066 68.78615 7.456986 77.00963 8.836898 -8.223480      11.56276 
1 1 1 -14 9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9  23 o 91.79099 7.053975 732.5322       109.7236 832.3873       159.7317 643.3159       150.9829 97.12461 9.762978 84.99643 10.63500 12.12818       14.43672 
1 1 1 -14 9  24 o 83.05439 6.588885 599.6068       92.68215 535.9136       114.1646 722.7338       158.7308 77.95786 8.725328 90.08932 10.51565 -12.13147      13.66419 
1 1 1 -14 9  25 o 64.01186 8.447275 363.8738       90.08209 298.0443       106.6917 527.3188       168.1148 56.96235 11.36667 75.35288 13.56364 -18.39053      17.69670 
1 1 1 -14 9  26 o 90.82509 6.656479 721.0002       102.5219 706.5053       118.5162 764.0942       204.3519 89.50792 7.832640 90.36183 13.67032 -0.8539124     15.75525 
1 1 1 -14 9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9  28 o 16.73995 8.237275 -164.1839      82.74615 -43.84968      104.0374 -371.3628      136.5109 24.92393 11.30270 19.11983 9.594201 5.804104       14.82564 
1 1 1 -14 9  29 o 79.88943 6.651003 565.4253       89.91122 536.8097       110.1363 622.6005       155.6800 76.94595 8.525176 81.06777 11.57419 -4.121819      14.37500 
1 1 1 -14 9  30 o 35.80632 10.45537 122.5043       67.91798 189.2984       78.58787 -74.59868      134.9997 44.30407 10.54054 26.75995 12.40441 17.54413       16.27797 
1 1 1 -14 9  31 o 24.58938 9.979283 32.56638       65.41237 47.60525       75.79668 -11.31649      129.4762 27.16719 10.84064 28.63618 12.82911 -1.468990      16.79600 
1 1 1 -14 9  32 o 25.45540 10.52158 33.62226       74.41216 -22.12855      84.51011 225.9849       156.9797 22.66958 10.24207 44.48112 16.08787 -21.81154      19.07143 
1 1 1 -14 9  33 o 26.02767 10.62890 42.00191       74.77918 -23.33098      92.19473 167.6361       127.8480 23.37678 10.61603 39.27879 14.47063 -15.90201      17.94712 
1 1 1 -14 9  34 o 24.18090 10.57968 12.20808       83.10270 17.08788       86.62560 -44.15275      294.3974 24.88561 10.84704 34.85196 16.77415 -9.966345      19.97574 
1 1 1 -14 10 1  o 37.56458 7.430279 125.4823       45.97520 123.2658       64.63667 127.7521       65.40768 37.14305 9.978168 37.78313 9.986387 -0.6400757     14.11707 
1 1 1 -14 10 2  o 114.8292 4.291281 1128.292       84.14749 1157.305       125.5866 1104.654       113.3561 115.9728 6.365750 113.3620 5.875813 2.610764       8.663022 
1 1 1 -14 10 3  o 121.8134 4.055651 1269.382       84.36411 1258.182       127.8732 1278.014       112.2629 120.9625 6.211468 122.1382 5.382487 -1.175690      8.219093 
1 1 1 -14 10 4  o 196.4675 4.272912 3302.681       143.3563 3298.822       223.3168 3305.385       186.9652 196.0571 6.670169 196.4032 5.574555 -0.3460999     8.692918 
1 1 1 -14 10 5  o 42.28241 6.677238 157.1285       46.61187 131.3979       60.94621 193.3880       72.34907 38.28307 9.393162 46.53442 9.427564 -8.251354      13.30828 
1 1 1 -14 10 6  o 142.0937 5.557458 1730.097       134.8506 1521.856       538.7251 1744.017       139.2848 126.8279 25.75348 142.6493 5.717842 -15.82137      26.38059 
1 1 1 -14 10 7  o 102.2496 5.999294 899.4910       104.2936 933.3452       131.2911 841.5938       171.6952 103.9541 7.445211 98.13086 10.40463 5.823235       12.79404 
1 1 1 -14 10 8  o 180.2407 4.350572 2780.100       133.9063 2814.090       212.7419 2757.797       172.3250 181.0321 6.881700 179.3801 5.625644 1.652008       8.888513 
1 1 1 -14 10 9  o 71.27298 5.578339 438.0286       67.35237 383.8430       85.30747 527.7047       109.7447 66.37716 7.667098 77.84000 8.388703 -11.46284      11.36463 
1 1 1 -14 10 10 o 102.5437 4.359311 899.9980       76.33592 893.1564       103.7405 908.0765       112.7295 101.8702 5.989829 102.6545 6.463701 -0.7842865     8.812348 
1 1 1 -14 10 11 o 152.2636 6.790881 1991.684       176.5729 2060.134       386.4056 1973.619       198.5112 152.3816 15.04587 151.2462 7.711573 1.135391       16.90700 
1 1 1 -14 10 12 o 37.14952 8.138906 123.4971       50.20488 64.05255       60.89449 249.6596       88.71297 28.79937 10.05966 52.82937 10.20294 -24.03000      14.32818 
1 1 1 -14 10 13 o 157.9110 4.193081 2134.676       113.0700 2207.453       142.6116 2011.491       185.5392 160.4670 5.204358 152.9139 7.105373 7.553177       8.807478 
1 1 1 -14 10 14 o 57.19566 6.472526 284.6993       62.10504 274.6941       73.47956 309.7222       116.2041 55.90498 7.918270 58.54145 12.02635 -2.636467      14.39903 
1 1 1 -14 10 15 o 107.0835 4.683705 982.6890       85.64740 911.6920       102.7293 1144.536       155.1052 102.8701 5.872294 114.9033 7.953742 -12.03318      9.886650 
1 1 1 -14 10 16 o 109.3375 4.423615 1024.334       82.59395 982.6606       98.29830 1124.405       152.3261 106.8632 5.404171 113.8560 7.883098 -6.992805      9.557631 
1 1 1 -14 10 17 o 88.47266 4.647876 672.9279       69.97475 553.5142       81.69093 1001.979       135.6059 80.01537 6.022758 107.5120 7.431790 -27.49664      9.565830 
1 1 1 -14 10 18 o 116.7169 4.651854 1168.297       92.71754 1292.959       112.9412 910.6338       162.3721 122.6938 5.390481 101.9398 9.434490 20.75403       10.86586 
1 1 1 -14 10 19 o 75.47742 23.99108 552.5183       347.7306 552.5183       347.7306 0.000000       0.000000 75.47742 23.99108 ?        ?        0.000000       23.99108 
1 1 1 -14 10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 10 21 o 139.1586 4.887033 1662.660       116.1335 1654.915       151.2747 1673.776       181.2289 138.5615 6.393253 138.8582 7.672595 -0.2966614     9.987111 
1 1 1 -14 10 22 o 54.00565 9.146635 260.8663       81.34232 259.6939       91.42819 265.3178       178.1580 53.57620 10.36804 53.85084 17.17829 -0.2746391     20.06464 
1 1 1 -14 10 23 o 113.6947 5.055109 1111.732       98.14599 1121.412       116.8867 1088.592       180.7140 113.8599 6.033153 111.0762 9.622343 2.783791       11.35731 
1 1 1 -14 10 24 o 45.75925 9.732874 191.0902       73.71511 148.1032       82.76087 356.1182       162.1568 40.20619 11.48352 60.97935 15.53003 -20.77316      19.31458 
1 1 1 -14 10 25 o 161.8611 4.389521 2255.313       121.3281 2045.396       140.7905 2861.039       239.1598 153.8375 5.359313 180.7562 7.748065 -26.91866      9.420974 
1 1 1 -14 10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 10 27 o 47.73811 10.22174 213.3090       80.81508 200.4574       95.97519 244.6263       149.8204 45.69634 12.10596 49.62191 15.74491 -3.925571      19.86093 
1 1 1 -14 10 28 o 72.90989 7.203053 474.3045       88.50932 512.4760       108.1999 397.1014       153.8772 75.15687 8.584573 62.65906 14.64415 12.49781       16.97486 
1 1 1 -14 10 29 o 74.43415 6.959725 495.3228       87.43722 470.7858       106.9430 544.7991       151.8591 71.52744 8.951461 74.78249 12.32073 -3.255051      15.22921 
1 1 1 -14 10 30 o 50.31916 8.673240 237.1869       71.83656 214.8111       79.64943 334.7504       166.3170 47.07690 10.20226 54.54058 16.47131 -7.463684      19.37499 
1 1 1 -14 10 31 o 29.18266 10.23043 77.48013       63.00658 113.1759       71.53474 -46.02288      133.0599 33.93281 10.89160 26.98676 12.44080 6.946054       16.53483 
1 1 1 -14 10 32 o 46.57483 9.303001 211.4346       71.40114 195.0895       83.93745 254.2254       135.8114 43.54201 11.21906 46.92624 15.00148 -3.384224      18.73264 
1 1 1 -14 10 33 o 20.00901 9.108901 -23.06609      68.40651 55.94810       75.99358 -360.5538      157.0556 27.11236 10.84243 20.37103 10.23154 6.741329       14.90780 
1 1 1 -14 11 1  o 160.1732 4.175827 2196.000       114.2179 2334.028       181.7880 2105.971       146.8155 164.8454 6.457829 156.7141 5.486075 8.131210       8.473522 
1 1 1 -14 11 2  o 223.3821 4.629022 4273.448       176.5792 4478.492       289.4884 4151.957       222.8340 228.1372 7.430758 219.9712 5.932171 8.166031       9.508250 
1 1 1 -14 11 3  f 137.2728 4.186493 1612.885       98.13792 1569.573       150.5009 1644.926       129.4432 135.1819 6.519563 138.5097 5.472644 -3.327789      8.512024 
1 1 1 -14 11 4  f 151.9234 4.291292 1975.750       111.3307 1927.754       170.2294 2011.623       147.1671 149.7983 6.654659 153.1558 5.626983 -3.357498      8.714782 
1 1 1 -14 11 5  o 245.0311 4.909563 5143.551       205.4310 4865.846       341.1265 5301.572       257.3243 237.5610 8.408885 248.5494 6.062701 -10.98840      10.36657 
1 1 1 -14 11 6  o 93.91590 5.073523 757.9790       81.06558 729.7874       115.8530 785.0239       113.4722 91.80059 7.454647 95.30574 7.021631 -3.505150      10.24085 
1 1 1 -14 11 7  o 84.84612 6.818934 622.6061       97.96402 526.7218       355.9550 630.4638       101.8991 75.62123 24.29822 85.34487 7.055089 -9.723640      25.30173 
1 1 1 -14 11 8  o 155.2677 4.868077 2065.457       129.0745 2090.165       165.6039 2027.217       206.0230 156.0263 6.215427 153.1993 7.902029 2.826920       10.05354 
1 1 1 -14 11 9  o 116.9262 5.765120 1173.098       115.1124 1027.594       280.4810 1202.571       126.2334 106.6964 15.87789 118.1682 6.278164 -11.47181      17.07403 
1 1 1 -14 11 10 f 271.6793 4.846566 6324.751       224.8498 6039.338       357.8186 6510.998       289.0479 264.6890 7.916354 275.3503 6.147271 -10.66129      10.02285 
1 1 1 -14 11 11 f 122.5454 5.617916 1288.635       117.5639 1453.103       156.8519 1077.791       177.5945 129.7480 7.106265 111.1868 9.442838 18.56126       11.81804 
1 1 1 -14 11 12 o 183.0769 4.218701 2870.207       131.8907 2922.014       166.8388 2783.885       215.3578 184.5666 5.293490 179.8390 7.012531 4.727524       8.786161 
1 1 1 -14 11 13 o 165.9456 4.152682 2358.338       117.6783 2439.978       149.4251 2225.011       190.9546 168.6519 5.188365 160.7524 6.956177 7.899460       8.677992 
1 1 1 -14 11 14 o 168.8725 4.570572 2444.176       131.8048 2538.771       167.2024 2288.911       214.2133 171.9301 5.694932 162.8560 7.702662 9.074142       9.579314 
1 1 1 -14 11 15 o 115.3822 4.458241 1141.038       87.84245 1068.289       107.9232 1283.837       151.2032 111.3674 5.693894 121.7892 7.303995 -10.42188      9.261144 
1 1 1 -14 11 16 o 92.50000 4.777280 735.8539       75.20371 679.6113       89.89596 866.9864       137.2658 88.70162 5.969540 99.78740 8.125927 -11.08578      10.08296 
1 1 1 -14 11 17 o 120.9773 13.84516 1314.864       280.8745 1141.689       339.5044 1690.473       499.9999 110.4402 18.66711 132.2005 22.98230 -21.76028      29.60823 
1 1 1 -14 11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 11 19 o 112.2468 7.544795 1094.218       143.7782 1032.489       257.4474 1122.198       173.3269 106.6401 14.51435 113.2701 9.036040 -6.629921      17.09726 
1 1 1 -14 11 20 o 86.26499 5.322225 642.1681       78.01957 710.9611       96.18392 509.8331       133.4036 90.60938 6.254530 75.56048 10.63296 15.04890       12.33609 
1 1 1 -14 11 21 o 123.5895 4.846429 1312.168       102.2835 1115.436       121.4562 1791.965       189.6754 113.5441 6.288559 143.5443 7.766795 -30.00025      9.993452 
1 1 1 -14 11 22 o 51.18958 7.293028 231.6865       61.94906 185.6845       68.47105 439.2358       145.4384 45.28823 9.168139 69.05937 12.80408 -23.77114      15.74799 
1 1 1 -14 11 23 o 86.19161 5.757519 644.7520       84.25515 607.7183       95.54256 774.2941       178.6915 83.40939 6.766111 92.37761 11.58214 -8.968216      13.41366 
1 1 1 -14 11 24 o 32.46481 10.43832 93.02383       65.68305 99.75376       72.49153 62.16077       155.2392 33.65969 10.97804 36.84699 15.21091 -3.187298      18.75871 
1 1 1 -14 11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 11 26 o 158.0547 4.158810 2155.115       112.2479 2077.521       128.9745 2397.422       227.9138 154.8854 4.876310 164.3460 8.121001 -9.460587      9.472542 
1 1 1 -14 11 27 o 29.68822 10.10852 76.76686       61.34536 84.89814       65.80840 22.84537       169.4661 30.99681 10.47019 34.77716 15.16467 -3.780346      18.42802 
1 1 1 -14 11 28 o 101.9607 5.025821 905.8134       87.50677 953.2614       101.6697 770.2070       171.8790 104.1354 5.739465 89.82182 11.46739 14.31360       12.82351 
1 1 1 -14 11 29 o 40.22215 9.682176 156.0555       65.70243 131.1940       74.77174 240.2957       137.6365 36.62027 11.04062 47.27144 15.10090 -10.65117      18.70648 
1 1 1 -14 11 30 o 99.66875 5.014191 874.9486       85.06919 700.9744       99.69711 1340.775       163.1369 88.14296 6.673049 120.7444 7.956534 -32.60149      10.38441 
1 1 1 -14 11 31 o 63.02118 7.151352 365.1621       75.59941 307.1422       84.55637 596.3207       168.7769 56.56134 9.060195 74.43704 13.78536 -17.87571      16.49616 
1 1 1 -14 11 32 o 26.21428 9.980851 57.19307       61.89121 18.02005       67.19930 276.1769       158.8829 22.90155 9.761852 46.62134 16.25125 -23.71979      18.95776 
1 1 1 -14 12 1  o 32.64760 8.240963 95.57360       45.94880 95.82127       64.88747 95.32451       65.07577 33.27154 10.33410 33.21404 10.35449 0.5750275E-01  14.62905 
1 1 1 -14 12 2  o 191.3468 4.510783 3136.539       147.3923 3028.526       231.9654 3209.678       190.8788 187.5350 7.243339 193.3599 5.780820 -5.824814      9.267353 
1 1 1 -14 12 3  o 238.3519 4.654407 4867.763       189.4458 4877.363       310.8759 4862.092       238.9374 237.8799 7.652921 237.9654 5.879878 -0.8551025E-01 9.650915 
1 1 1 -14 12 4  o 231.1398 4.634463 4577.409       182.9263 4520.213       296.5738 4612.530       232.3992 229.0308 7.582929 231.7835 5.871515 -2.752701      9.590385 
1 1 1 -14 12 5  o 96.08456 4.646116 791.0237       76.23344 789.9067       111.2062 792.0140       104.7078 95.58113 6.858864 95.77999 6.439219 -0.1988602     9.407845 
1 1 1 -14 12 6  f 76.90184 5.347212 509.7127       69.78412 428.8442       94.94326 604.7363       102.9177 70.04842 8.085661 83.48787 7.291966 -13.43945      10.88810 
1 1 1 -14 12 7  o 134.1764 4.330711 1541.931       99.22870 1356.203       148.2541 1692.657       133.5553 125.3435 6.953604 140.4401 5.568882 -15.09656      8.908707 
1 1 1 -14 12 8  f 39.38134 11.36984 138.3304       80.72588 185.0502       126.8772 106.5538       104.6375 45.91832 14.48071 37.14013 13.16865 8.778194       19.57305 
1 1 1 -14 12 9  o 118.1248 4.717784 1195.942       95.16580 1272.580       125.9545 1093.992       145.2730 121.7003 6.060660 112.3849 7.614567 9.315376       9.732073 
1 1 1 -14 12 10 o 144.1414 4.129816 1779.346       101.6533 1845.852       152.1746 1725.755       136.6018 146.5527 6.080599 141.7691 5.642518 4.783646       8.295281 
1 1 1 -14 12 11 o 257.0327 4.614123 5662.850       202.5254 5528.595       319.5718 5752.961       261.8141 253.2003 7.390985 258.7443 5.925436 -5.543991      9.472985 
1 1 1 -14 12 12 o 73.20918 5.263193 462.3539       65.35950 453.7938       79.40940 480.3323       115.0817 72.32948 6.498521 73.84167 9.335011 -1.512199      11.37423 
1 1 1 -14 12 13 o 233.3546 4.735455 4669.986       188.7035 4736.968       239.2552 4559.736       306.9535 234.7189 5.969134 229.7126 7.825027 5.006302       9.841829 
1 1 1 -14 12 14 o 113.9544 10.86715 1144.922       208.9073 1095.939       301.0564 1190.412       290.1259 109.2094 16.67148 114.5519 15.20727 -5.342545      22.56545 
1 1 1 -14 12 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 12 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 12 17 o 112.1384 4.950690 1079.557       94.80299 1218.702       118.6884 834.3118       157.5700 119.0199 5.839653 97.41439 9.596790 21.60548       11.23387 
1 1 1 -14 12 18 o 196.5943 5.063491 3320.282       169.9898 3498.923       210.5783 2986.094       288.0175 201.5305 6.118866 185.1781 9.108091 16.35243       10.97260 
1 1 1 -14 12 19 o 306.2852 5.642935 8074.490       295.1433 7790.154       362.3038 8635.439       508.8839 300.1612 7.068325 314.4625 9.476499 -14.30133      11.82223 
1 1 1 -14 12 20 o 189.3123 5.102400 3083.081       164.9511 3096.071       201.8852 3056.994       286.0947 189.3595 6.243320 187.0618 8.956181 2.297699       10.91752 
1 1 1 -14 12 21 o 21.41047 8.588476 20.11413       47.84243 7.152781       51.12378 111.4701       135.7271 20.57363 8.629212 39.20456 14.81533 -18.63093      17.14518 
1 1 1 -14 12 22 o 127.1946 5.417316 1397.818       117.6670 1438.549       143.3064 1313.537       206.1430 128.5276 6.551041 121.2084 10.05008 7.319221       11.99668 
1 1 1 -14 12 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 12 24 o ?        ?        -457.2400      52.29512 -509.6590      56.25302 -123.5649      141.9265 ?        ?        26.26074 12.35029 0.000000       12.35029 
1 1 1 -14 12 25 o 25.26999 9.289737 47.95115       52.64957 3.314624       56.58236 335.9765       143.7312 20.93043 8.940495 57.94368 14.54732 -37.01325      17.07504 
1 1 1 -14 12 26 o 78.93457 4.873391 543.1216       65.36887 530.5787       71.75182 604.3588       158.5411 77.82139 5.433328 79.41936 12.06993 -1.597969      13.23647 
1 1 1 -14 12 27 o 69.25108 5.252949 421.0878       61.65730 388.5044       65.72150 660.3602       178.0966 66.27562 5.867648 81.59747 13.23475 -15.32185      14.47715 
1 1 1 -14 12 28 o 29.31922 9.183047 80.12385       51.11709 104.9955       55.25652 -67.46817      134.6054 33.12494 9.356359 26.63742 12.36127 6.487520       15.50298 
1 1 1 -14 12 29 o 66.23045 4.987809 387.3992       55.99762 353.7685       60.60684 583.6141       146.3928 62.95557 5.699278 76.43883 11.57758 -13.48326      12.90435 
1 1 1 -14 12 30 o 24.85581 8.958782 52.69422       48.61819 37.38813       52.26818 150.9453       132.4262 23.24790 9.086610 38.22330 14.58850 -14.97540      17.18694 
1 1 1 -14 12 31 o 47.84496 6.961232 213.0214       55.20758 212.9174       60.13691 213.5794       139.2347 47.42110 7.689560 42.28928 15.16948 5.131821       17.00713 
1 1 1 -14 13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 4  o 60.02818 17.79528 331.8892       195.4637 45.51464       490.4118 385.9741       213.1237 59.79971 25.93811 64.37117 18.44209 -4.571457      31.82603 
1 1 1 -14 13 5  o 106.9524 14.78399 1032.372       262.7928 1177.766       541.8838 987.6622       300.4941 107.4963 28.89667 103.4320 17.64609 4.064316       33.85856 
1 1 1 -14 13 6  o 247.2842 15.66984 5477.067       658.2822 6292.646       1174.311 5103.344       794.9233 253.3384 27.59051 235.2830 19.97359 18.05542       34.06142 
1 1 1 -14 13 7  o 212.8177 12.56266 3994.082       454.5290 3899.833       645.7956 4086.604       639.8480 206.5171 18.50843 211.9189 17.84707 -5.401718      25.71147 
1 1 1 -14 13 8  o 144.8852 11.00920 1843.487       270.3466 1748.272       387.8889 1933.431       376.9991 138.6099 16.72545 146.5654 15.28784 -7.955551      22.65963 
1 1 1 -14 13 9  o 259.0496 14.33821 5974.097       631.8089 5799.736       898.4170 6144.701       888.6878 249.2000 21.31708 257.4812 20.37815 -8.281158      29.49045 
1 1 1 -14 13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 14 o 114.2619 4.910713 1120.566       95.81817 1150.934       120.4142 1068.141       158.2097 115.4743 6.128410 110.6921 8.433236 4.782173       10.42482 
1 1 1 -14 13 15 f 75.41142 5.819183 492.1823       74.35831 530.5045       86.14536 380.1816       147.2707 78.18137 6.511696 64.20158 13.84040 13.97980       15.29571 
1 1 1 -14 13 16 o 148.4311 4.908865 1892.019       124.4251 2036.186       156.8533 1647.324       204.3489 153.7701 5.973376 137.3792 8.756248 16.39091       10.59967 
1 1 1 -14 13 17 o 80.87032 6.050793 566.7267       82.95538 523.5782       92.02644 753.7964       191.6160 77.51028 7.029120 91.35377 12.61997 -13.84348      14.44549 
1 1 1 -14 13 18 o 83.94607 5.922659 610.7783       84.35757 639.6848       98.98650 534.0840       161.2354 85.71558 6.818988 76.38760 12.81429 9.327980       14.51567 
1 1 1 -14 13 19 o 55.24406 7.687863 270.4993       70.56012 338.5672       80.63974 48.13501       145.7507 61.88420 7.804304 35.61271 14.72305 26.27149       16.66360 
1 1 1 -14 13 20 o 31.96464 10.47865 88.39266       66.01498 96.44316       71.31082 40.15120       174.5639 33.28765 10.88980 37.45033 15.83883 -4.162682      19.22125 
1 1 1 -14 13 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 23 o 125.0359 4.603825 1351.356       98.30042 1350.551       112.8602 1353.884       200.0840 124.7523 5.297735 122.3256 9.656936 2.426727       11.01464 
1 1 1 -14 13 24 f 30.31721 9.299783 83.82510       52.73495 67.06341       56.79105 188.7523       142.0905 28.13571 9.721175 44.26748 15.37198 -16.13178      18.18788 
1 1 1 -14 13 25 o 117.4981 4.213372 1194.665       84.54007 1204.264       92.33291 1144.894       210.2522 117.8234 4.589054 110.1337 11.34159 7.689636       12.23483 
1 1 1 -14 13 26 o 53.96977 6.072729 259.6504       54.99536 256.7494       57.98701 285.6088       173.4585 53.51157 6.477653 50.92837 16.99953 2.583202       18.19187 
1 1 1 -14 13 27 o 25.82072 8.959615 57.91977       48.26642 32.14444       50.45159 336.2841       165.7981 22.63429 8.903299 54.27348 16.45792 -31.63919      18.71181 
1 1 1 -14 13 28 o 62.00029 5.310483 341.4873       55.68241 309.5989       60.40311 521.9075       143.6763 58.64165 6.122119 71.56840 12.19316 -12.92674      13.64381 
1 1 1 -14 13 29 o 46.89861 6.146677 199.9165       48.04176 195.8704       51.12028 230.5075       140.5622 46.17055 6.677723 44.60812 15.30048 1.562431       16.69421 
1 1 1 -14 13 30 o 41.13815 6.692524 157.4968       45.39879 138.0963       48.07631 317.2586       137.9625 37.99279 7.674372 51.56427 14.85696 -13.57148      16.72200 
1 1 1 -14 14 1  f 80.47914 5.605451 559.1302       76.55540 600.9473       110.1580 520.0679       106.4677 83.02583 7.863348 77.10944 8.211884 5.916397       11.36958 
1 1 1 -14 14 2  o 28.03867 10.74716 47.53839       72.06018 48.21391       93.91928 46.57159       112.3587 30.68223 12.12255 32.60570 13.13260 -1.923464      17.87236 
1 1 1 -14 14 3  o 97.28312 5.166301 814.5901       85.51839 636.3000       120.0372 998.3547       121.8661 85.35047 8.342507 107.4579 6.674139 -22.10740      10.68371 
1 1 1 -14 14 4  o 161.5385 8.605254 2266.656       236.5229 0.000000       0.000000 2266.656       236.5229 ?        ?        161.5385 8.605254 0.000000       8.605254 
1 1 1 -14 14 5  o 144.7213 5.241941 1797.986       129.5468 1617.942       171.4807 2037.350       197.7224 136.7321 7.371405 153.6120 7.537529 -16.87982      10.54286 
1 1 1 -14 14 6  o 59.84211 6.874872 312.5721       68.97857 269.7616       88.50558 378.8098       110.0902 54.90545 9.799051 65.19928 10.22411 -10.29383      14.16171 
1 1 1 -14 14 7  o 223.5856 4.917214 4289.141       187.7435 4372.520       309.7640 4240.729       236.0367 224.8278 8.068246 221.9957 6.226343 2.832077       10.19137 
1 1 1 -14 14 8  o 86.86179 5.300889 650.2973       78.25204 571.1410       105.3911 747.5512       116.8193 80.93993 7.718520 92.75657 7.437660 -11.81664      10.71888 
1 1 1 -14 14 9  o 225.3662 4.917387 4358.652       189.2453 4275.214       308.1939 4409.154       239.7725 222.2296 8.121202 226.3295 6.203778 -4.099976      10.21963 
1 1 1 -14 14 10 o 114.9773 6.774756 1143.819       132.4294 0.000000       0.000000 1143.819       132.4294 ?        ?        114.9773 6.774756 0.000000       6.774756 
1 1 1 -14 14 11 o 117.2950 5.270832 1181.995       105.5749 1174.594       131.1599 1195.614       177.9255 116.5384 6.617973 116.9615 8.976748 -0.4231873     11.15256 
1 1 1 -14 14 12 o 95.92910 5.129181 792.6859       83.71902 695.0083       106.4385 951.1504       135.5712 89.44980 7.024645 104.5782 7.644411 -15.12837      10.38184 
1 1 1 -14 14 13 f 253.2746 5.229455 5512.996       226.1777 5770.865       281.5677 5043.941       379.7468 258.7226 6.373040 240.6054 9.242446 18.11720       11.22668 
1 1 1 -14 14 14 o 42.76777 8.093422 163.8091       56.94383 173.3507       66.81867 138.4931       108.8391 43.79440 9.225893 40.24561 13.46563 3.548794       16.32300 
1 1 1 -14 14 15 o 114.2894 5.045992 1123.330       98.48148 1196.035       119.6915 970.9484       173.2793 117.6130 5.979136 104.8027 9.795757 12.81021       11.47636 
1 1 1 -14 14 16 o 63.93825 6.629210 357.4929       71.32912 388.7050       80.82551 247.5892       151.6678 66.55672 7.227555 51.50664 15.76670 15.05008       17.34435 
1 1 1 -14 14 17 o 165.7927 5.063640 2368.376       143.3607 2480.034       178.7602 2167.127       239.9898 169.2799 6.183915 156.8333 8.998574 12.44664       10.91857 
1 1 1 -14 14 18 o 88.88855 5.729992 686.3892       86.51312 630.4609       103.5845 815.3776       157.3092 84.74183 7.227133 95.43021 9.791823 -10.68839      12.17010 
1 1 1 -14 14 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 14 21 o 20.77407 8.733363 8.401235       52.56144 9.881807       55.02080 -7.058471      177.7922 21.33744 8.950949 34.61449 15.29741 -13.27705      17.72372 
1 1 1 -14 14 22 o 71.62769 6.109581 451.6212       74.01535 401.1118       80.68131 719.9524       185.9614 67.09939 7.151496 86.59644 12.97492 -19.49706      14.81528 
1 1 1 -14 14 23 o 89.14310 4.921932 692.3964       74.63446 668.3992       83.69430 785.5839       164.9283 87.30513 5.643971 91.70038 10.73545 -4.395248      12.12865 
1 1 1 -14 14 24 o 126.6950 4.418174 1392.414       95.58820 1369.082       108.3428 1474.375       203.0627 125.3213 5.062593 126.5773 9.462921 -1.256004      10.73204 
1 1 1 -14 14 25 o 27.57120 7.983777 70.61201       39.75051 67.96832       41.56994 98.84534       135.8486 27.14604 8.242944 35.83064 14.43718 -8.684603      16.62463 
1 1 1 -14 14 26 o 26.61534 7.735387 66.12069       37.25422 75.61261       38.73280 -51.13070      136.1322 28.34467 7.770374 27.21371 12.55878 1.130957       14.76827 
1 1 1 -14 14 27 f 26.62970 8.312030 66.24287       41.92046 55.05780       44.11201 170.4927       134.6714 24.93107 8.570202 40.06878 14.83471 -15.13771      17.13234 
1 1 1 -14 14 28 o 26.84271 11.88968 8.497606       107.9986 182.5933       184.4873 -82.26802      133.2089 40.67802 16.66272 25.15156 11.87018 15.52646       20.45844 
1 1 1 -14 14 29 o 28.40312 12.45006 30.98723       115.5572 40.99861       228.5079 27.54723       133.9472 34.91747 16.16903 29.55014 13.15706 5.367332       20.84577 
1 1 1 -14 15 1  o 51.09916 7.880883 231.6291       66.55728 99.28441       89.56705 394.8271       99.46091 35.04029 12.20246 66.73893 8.952844 -31.69864      15.13451 
1 1 1 -14 15 2  o 83.06213 12.85784 626.2855       176.4855 0.000000       0.000000 626.2855       176.4855 ?        ?        83.06213 12.85784 0.000000       12.85784 
1 1 1 -14 15 3  o 98.38839 5.050632 833.9349       84.57178 699.8275       122.5686 955.8035       116.8419 89.45323 8.112054 105.0459 6.546094 -15.59266      10.42386 
1 1 1 -14 15 4  o 115.0806 4.764290 1137.057       93.62727 1107.220       148.8194 1156.604       120.4523 112.7885 7.774155 115.7013 6.118171 -2.912811      9.892901 
1 1 1 -14 15 5  o 59.80229 7.232073 313.5530       72.35478 284.2782       103.2070 341.8482       101.4655 55.93267 11.19608 61.81343 9.950104 -5.880753      14.97854 
1 1 1 -14 15 6  o 52.83576 8.430216 248.1786       73.50565 327.6382       97.82518 145.1407       111.3977 60.52362 9.800117 41.08022 13.61903 19.44340       16.77857 
1 1 1 -14 15 7  o 123.7116 5.773407 1317.526       121.9677 1367.003       154.7186 1236.301       198.2356 125.5170 7.249208 118.5256 9.884322 6.991394       12.25768 
1 1 1 -14 15 8  o 83.73267 5.909327 606.8465       83.95335 712.8447       114.9922 485.8608       122.8531 90.42907 7.514679 73.88886 9.992922 16.54021       12.50315 
1 1 1 -14 15 9  o 60.06997 7.141288 316.4146       71.81943 162.3367       92.42302 551.2673       114.1059 42.26319 12.15526 79.15602 8.578845 -36.89283      14.87773 
1 1 1 -14 15 10 o 23.87786 9.577014 25.07260       59.48135 -25.08234      71.57171 137.0651       106.9495 21.59369 9.615777 39.95304 13.34832 -18.35935      16.45117 
1 1 1 -14 15 11 o 120.1018 6.261685 1248.762       127.9782 1109.311       331.4666 1273.192       138.7360 107.5668 18.72538 121.1449 6.732847 -13.57808      19.89902 
1 1 1 -14 15 12 o 85.81303 5.812000 638.1162       84.66663 651.9742       104.2427 611.2535       145.1339 86.42924 7.126439 82.61576 10.52652 3.813484       12.71196 
1 1 1 -14 15 13 o 63.44053 5.940624 350.6257       63.60836 364.4284       80.86749 328.2292       103.0104 64.31750 7.503863 60.15160 10.40499 4.165905       12.82855 
1 1 1 -14 15 14 o 116.7623 5.061074 1174.998       100.9131 1146.562       120.8260 1240.582       183.4926 114.9200 6.179609 118.4162 9.145002 -3.496201      11.03715 
1 1 1 -14 15 15 f 111.6187 5.400746 1076.332       102.9420 1072.508       120.0873 1086.931       199.9110 110.9969 6.362086 109.8104 10.80055 1.186478       12.53508 
1 1 1 -14 15 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 15 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 15 18 o 82.75681 6.428366 600.7573       90.13319 632.6694       100.6425 471.4485       202.5901 84.72568 7.019294 67.88484 17.39652 16.84084       18.75924 
1 1 1 -14 15 19 o 57.01303 7.817863 292.1046       74.10957 321.2743       80.87162 139.2343       185.1364 59.71540 8.142928 42.82598 16.98851 16.88942       18.83923 
1 1 1 -14 15 20 o 73.75569 6.426890 480.1644       80.13760 481.8633       88.70854 472.6254       186.8709 73.60662 7.147547 67.65256 16.35578 5.954063       17.84934 
1 1 1 -14 15 21 f 43.71614 8.330894 176.1956       59.92152 162.8914       63.76635 276.6457       175.2154 41.70150 9.201156 51.34468 17.08305 -9.643181      19.40340 
1 1 1 -14 15 22 o 38.31599 9.016665 138.3001       58.01386 135.2906       61.66354 161.4892       171.1697 37.74854 9.556709 42.36165 16.47511 -4.613106      19.04626 
1 1 1 -14 15 23 o 73.55177 5.764287 478.6782       71.82083 450.6737       81.49626 576.0579       151.9699 70.86423 6.818727 76.64585 12.00507 -5.781624      13.80640 
1 1 1 -14 15 24 o 32.19217 8.296626 98.37096       45.89588 87.27583       48.70406 186.3468       137.1452 30.33061 8.853032 42.12977 15.06126 -11.79916      17.47048 
1 1 1 -14 15 25 o 55.23604 5.127938 270.6454       47.81718 267.9042       50.69464 292.7571       143.9783 54.80502 5.490615 50.75618 15.32457 4.048840       16.27849 
1 1 1 -14 15 26 o 37.77678 13.59426 148.3323       111.9041 5.177969       192.2717 221.6638       137.6126 33.20969 15.17749 44.09956 15.13835 -10.88988      21.43655 
1 1 1 -14 15 27 o 33.21105 13.39170 98.78082       116.9808 304.3027       230.0843 27.13349       135.8495 46.48655 18.76836 29.91827 13.28937 16.56828       22.99693 
1 1 1 -14 16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 16 3  o 26.66154 9.891094 50.11708       59.93002 22.60506       90.39733 71.69149       80.05048 27.81072 11.55417 31.13074 11.45322 -3.320024      16.26884 
1 1 1 -14 16 4  o 46.63395 8.645092 196.2766       66.31011 192.7928       96.51453 199.3914       91.25931 45.52093 12.17778 46.34771 11.56722 -0.8267784     16.79580 
1 1 1 -14 16 5  o 115.0200 4.805669 1138.883       94.39071 1305.401       147.5746 1023.595       122.7932 122.3609 7.093069 108.4413 6.663247 13.91959       9.731932 
1 1 1 -14 16 6  o 137.0898 4.593874 1616.770       107.5439 1670.399       170.2511 1581.164       138.7251 138.4039 7.228522 135.2124 6.008094 3.191483       9.399401 
1 1 1 -14 16 7  o 70.54797 5.720128 432.7091       68.31827 407.9535       92.66228 462.1928       101.1247 67.85712 8.160223 72.22258 8.353565 -4.365456      11.67781 
1 1 1 -14 16 8  o 143.2317 4.689259 1765.951       114.6952 1786.400       175.8093 1750.799       151.3352 143.0970 7.217913 142.1754 6.233233 0.9215546      9.536847 
1 1 1 -14 16 9  o 75.45215 6.933692 498.9527       88.33881 535.9865       104.9248 408.7937       163.7132 77.90226 8.000901 65.29916 14.99760 12.60310       16.99831 
1 1 1 -14 16 10 o 25.78797 9.623232 46.19054       56.89195 46.82400       71.96437 45.13486       92.90177 27.64040 10.70125 29.86853 11.97269 -2.228130      16.05809 
1 1 1 -14 16 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 16 14 o 29.65930 9.893505 75.55111       58.75434 92.70259       62.86958 -42.74422      165.1101 32.22298 10.19676 32.14907 14.43915 0.7390976E-01  17.67662 
1 1 1 -14 16 15 o 78.49746 5.899091 538.5513       78.49738 538.2958       93.09461 539.1796       146.0145 78.09483 7.056963 76.14881 11.59481 1.946014       13.57352 
1 1 1 -14 16 16 o 46.65172 8.350683 198.3648       64.08328 238.6534       70.73910 13.98752       151.3292 51.26835 8.368711 33.28109 14.42208 17.98727       16.67428 
1 1 1 -14 16 17 o 95.25228 5.633305 792.5435       91.22318 842.1111       107.7763 667.3221       171.3022 97.84152 6.487367 83.90051 12.32353 13.94101       13.92679 
1 1 1 -14 16 18 o 18.77765 8.477943 -25.34179      57.79094 -14.47865      61.40452 -109.5738      170.9863 20.23585 8.964135 29.49718 13.76957 -9.261335      16.43036 
1 1 1 -14 16 19 o 122.4341 5.488293 1308.258       114.7471 1378.690       135.3422 1128.207       216.3940 125.0785 6.357409 109.0533 11.80858 16.02523       13.41116 
1 1 1 -14 16 20 o 36.93549 10.43002 130.8094       68.67477 160.7762       74.95648 -25.83236      171.3733 40.78754 10.64748 32.26945 14.58159 8.518089       18.05524 
1 1 1 -14 16 21 o 22.35385 9.306174 17.65201       58.81581 73.12664       65.17585 -225.6973      136.5069 29.13502 10.38629 21.84904 10.71684 7.285982       14.92400 
1 1 1 -14 16 22 o 36.25255 10.09839 128.3531       64.83676 166.8208       73.32005 -9.622291      138.8595 41.15901 10.42133 29.47350 13.23928 11.68552       16.84882 
1 1 1 -14 16 23 f 58.08192 7.254805 309.3087       70.38699 299.7354       80.53702 340.2700       144.8355 56.38733 8.639256 55.25814 14.97524 1.129192       17.28857 
1 1 1 -14 16 24 o 54.92360 6.005033 271.7895       55.40412 228.8616       59.99440 520.5512       144.4218 49.74780 7.277325 71.15869 12.33194 -21.41089      14.31908 
1 1 1 -14 16 25 o 40.38792 14.51755 182.7550       127.5869 14.88028       195.1170 308.1545       168.6360 33.25600 15.23237 49.39078 16.76019 -16.13478      22.64794 
1 1 1 -14 16 26 o 46.20390 14.17299 249.4417       122.4830 210.9996       240.2696 262.9392       142.3710 41.52517 18.08337 46.23827 15.39962 -4.713100      23.75198 
1 1 1 -14 17 1  o 38.19818 9.328245 134.8948       60.32175 199.2449       81.25391 55.88252       90.03615 46.20437 10.53233 30.28424 11.89977 15.92013       15.89134 
1 1 1 -14 17 2  o 59.20821 6.752545 309.6247       67.05210 422.5798       103.4105 227.6846       88.07650 68.47308 9.066882 49.41383 10.74409 19.05925       14.05858 
1 1 1 -14 17 3  o 100.7777 4.894966 877.0861       84.23956 969.7781       133.1316 815.1940       108.7871 104.9371 7.478261 96.48545 6.643056 8.451691       10.00273 
1 1 1 -14 17 4  o 28.96984 9.727322 71.31906       56.79806 111.8097       72.35886 6.325260       91.67489 35.13158 10.91302 26.56242 11.36402 8.569168       15.75547 
1 1 1 -14 17 5  o 19.91063 8.738429 -10.97914      57.08469 -40.24988      80.09760 19.23455       81.37753 21.81546 9.902396 26.18817 10.92819 -4.372707      14.74730 
1 1 1 -14 17 6  o 28.04900 9.899569 63.07236       59.06867 24.99502       82.01244 104.1161       85.14715 26.74072 11.04877 34.78122 11.90885 -8.040499      16.24488 
1 1 1 -14 17 7  o 31.61284 10.12146 88.46431       61.80565 112.5053       80.82787 54.61679       95.90649 35.51660 11.59249 30.81180 12.22588 4.704800       16.84809 
1 1 1 -14 17 8  o 47.93087 7.627505 206.2579       60.33888 322.3291       87.11974 99.24792       83.65010 59.75589 8.801142 34.11919 11.79755 25.63670       14.71878 
1 1 1 -14 17 9  o 56.69365 6.494503 283.6693       61.74142 286.4368       89.12709 281.1158       85.61018 55.91948 9.684255 55.50154 9.366098 0.4179382      13.47251 
1 1 1 -14 17 10 o 22.36810 9.132046 19.40565       55.18197 25.03252       67.67172 8.239090       95.33086 24.76463 10.11192 27.07314 11.58562 -2.308506      15.37782 
1 1 1 -14 17 11 o 53.00577 9.519562 258.3007       83.00026 258.3007       83.00026 0.000000       0.000000 53.00577 9.519562 ?        ?        0.000000       9.519562 
1 1 1 -14 17 12 o 87.23204 5.352907 662.7916       79.35303 605.8527       99.41675 762.7526       131.7256 82.76369 7.103079 92.29774 8.451348 -9.534042      11.03988 
1 1 1 -14 17 13 o 44.80558 13.14350 194.4430       107.1123 45.31648       256.2837 226.0053       117.9037 42.12840 18.50180 48.00937 13.70450 -5.880974      23.02455 
1 1 1 -14 17 14 o 73.56348 6.608378 478.5267       82.12984 469.7332       96.49130 501.6489       156.4672 72.33601 7.942152 71.89877 13.23138 0.4372406      15.43202 
1 1 1 -14 17 15 o 27.60870 10.05814 60.03609       61.52032 71.65700       66.03201 -16.39145      169.3400 29.39366 10.45686 33.00818 14.73796 -3.614517      18.07078 
1 1 1 -14 17 16 o 67.27047 7.096471 404.5036       80.29067 338.7856       89.79498 666.5789       179.3176 60.71588 8.927118 82.64584 13.14604 -21.92995      15.89062 
1 1 1 -14 17 17 o 24.92492 9.720418 39.94847       59.71191 20.58230       66.28487 123.3253       137.5357 23.82056 9.894961 38.28440 14.80183 -14.46384      17.80462 
1 1 1 -14 17 18 o 51.47185 7.857783 243.0546       66.87792 257.7236       75.52608 189.7800       143.9318 52.63895 8.706455 43.29280 15.43447 9.346157       17.72075 
1 1 1 -14 17 19 o 100.0937 6.048920 889.1071       102.9062 928.2175       120.5704 784.1898       197.4779 101.6424 6.988941 87.65808 13.63563 13.98431       15.32239 
1 1 1 -14 17 20 o 101.4849 5.774026 913.5733       99.65131 920.2473       115.7905 894.5129       195.6815 101.1767 6.740364 94.37174 12.44609 6.804955       14.15407 
1 1 1 -14 17 21 o 64.24419 6.367176 371.9692       68.93269 359.3623       78.09008 416.4634       146.7044 62.53915 7.459277 62.19595 14.13365 0.3431969      15.98126 
1 1 1 -14 17 22 o 39.08237 8.835028 147.7300       57.57946 175.6324       63.35624 15.31506       138.0183 42.62019 8.988018 30.09401 13.37992 12.52618       16.11852 
1 1 1 -14 17 23 o 16.23968 7.425861 -23.61523      46.10457 -41.88551      48.08987 184.0587       162.1333 15.37495 7.217361 40.49122 15.95002 -25.11628      17.50696 
1 1 1 -14 17 24 o 27.10613 10.88334 54.34372       76.90372 -113.7512      93.13393 414.5739       136.3392 19.26347 9.311852 61.22190 13.41191 -41.95843      16.32758 
1 1 1 -14 18 1  o 129.2253 4.534142 1444.874       100.0563 1295.225       154.5107 1552.950       131.3062 120.7512 7.530698 133.4310 5.762709 -12.67979      9.482628 
1 1 1 -14 18 2  o 82.06277 5.321702 587.6122       74.17371 533.6183       118.3302 622.5593       95.19814 76.55327 9.238453 83.96252 6.695250 -7.409248      11.40944 
1 1 1 -14 18 3  o 138.4852 4.457987 1657.773       105.4251 1579.347       173.2712 1703.872       132.8442 133.4061 7.637603 139.9230 5.559703 -6.516907      9.446866 
1 1 1 -14 18 4  f 138.1009 4.540185 1649.194       107.0710 1533.182       170.9215 1724.123       137.3630 131.4444 7.647752 140.6848 5.717690 -9.240387      9.548827 
1 1 1 -14 18 5  o 105.8656 4.575132 969.3522       82.71043 898.8370       125.9120 1022.875       109.6976 100.6754 7.375219 108.1124 5.964900 -7.437019      9.485456 
1 1 1 -14 18 6  o 16.00681 7.545166 -55.46364      53.52424 17.60303       74.34545 -134.0861      77.12019 24.88104 10.41936 16.81135 8.205197 8.069687       13.26229 
1 1 1 -14 18 7  o 23.82055 9.301843 34.12767       54.73486 84.81467       76.96414 -17.74239      77.85715 31.78816 11.29140 22.70967 10.07527 9.078497       15.13297 
1 1 1 -14 18 8  o 98.91375 4.849248 848.0466       81.90926 876.3778       117.3598 821.1393       114.3723 99.55505 6.946802 96.32658 7.000874 3.228477       9.862571 
1 1 1 -14 18 9  o 32.73786 10.16526 98.45289       62.78981 106.8878       76.71844 81.33890       109.2785 34.29045 11.29891 33.75562 13.15388 0.5348320      17.34041 
1 1 1 -14 18 10 f 23.21523 9.297301 27.68478       55.96579 5.235964       67.65142 76.35995       99.61712 22.81750 9.762010 32.52645 12.59118 -9.708944      15.93219 
1 1 1 -14 18 11 o 46.47313 8.952638 200.4754       68.47142 151.6581       85.45587 288.0191       114.4373 39.71740 11.76459 54.17068 12.60740 -14.45329      17.24390 
1 1 1 -14 18 12 o 39.00206 9.050128 142.8173       59.11185 120.1587       70.07336 198.7285       110.0743 35.63444 10.67569 44.69228 13.37813 -9.057838      17.11563 
1 1 1 -14 18 13 o 21.43119 9.031313 10.57413       56.42817 21.30576       60.21369 -66.81442      161.6966 23.03928 9.487900 29.81920 13.73480 -6.779921      16.69326 
1 1 1 -14 18 14 o 36.21450 13.32738 117.2152       108.4032 -170.2037      204.2150 229.9780       127.9125 30.02940 14.32304 47.10170 14.48960 -17.07229      20.37395 
1 1 1 -14 18 15 o 38.69581 8.748532 141.5668       56.45270 176.8327       61.63671 -42.02239      140.6325 43.40794 8.619104 28.49894 13.00736 14.90900       15.60386 
1 1 1 -14 18 16 o 19.99866 8.252818 15.20063       45.67478 -1.178876      48.58410 139.8070       134.0028 18.83516 8.166888 38.60181 14.68886 -19.76666      16.80657 
1 1 1 -14 18 17 o 35.42925 8.598677 119.7344       51.49674 93.34221       54.17500 367.0334       165.8337 31.28353 9.390140 56.78696 16.26748 -25.50343      18.78312 
1 1 1 -14 18 18 o 19.87075 8.187606 16.00246       44.87123 13.07023       47.66370 38.84994       133.0479 20.00800 8.357598 31.32482 13.54864 -11.31682      15.91901 
1 1 1 -14 18 19 o 46.45346 8.936227 206.7386       68.31444 196.8942       74.64892 257.4703       169.4604 44.71441 10.02404 46.79475 16.74054 -2.080349      19.51223 
1 1 1 -14 18 20 o 19.68939 8.723583 -7.975211      58.17783 -13.92370      64.76851 16.87191       132.3727 20.28895 9.082721 29.56911 13.12701 -9.280163      15.96290 
1 1 1 -14 18 21 o 45.78130 9.064660 204.7941       68.35922 226.3977       78.27808 135.3854       140.3086 47.60750 9.949100 36.72269 14.71599 10.88481       17.76358 
1 1 1 -14 19 1  o 48.32298 9.369328 220.5035       74.52438 223.6848       114.6586 218.1764       98.06329 46.72393 13.56794 46.74351 12.16706 -0.1957703E-01 18.22433 
1 1 1 -14 19 2  o 36.41807 10.13791 127.3246       65.36755 158.8288       90.05871 92.24719       95.02876 40.12949 12.12088 33.18466 12.42662 6.944832       17.35905 
1 1 1 -14 19 3  o 23.78786 9.606928 29.23712       60.30373 34.25260       86.84532 24.56712       83.80083 27.41097 11.35124 26.29459 11.03937 1.116383       15.83409 
1 1 1 -14 19 4  f 43.47121 8.620790 176.6131       61.73539 29.56010       93.86321 288.7259       81.95702 27.81123 11.68011 55.73612 8.911057 -27.92490      14.69122 
1 1 1 -14 19 5  o 51.68706 7.267372 242.3511       62.37286 241.2618       95.00528 243.1763       82.68878 49.61287 11.44672 50.57539 9.928698 -0.9625168     15.15277 
1 1 1 -14 19 6  o 49.53912 7.339344 223.2454       60.20956 141.4354       79.54565 332.9944       92.13262 38.13411 11.36303 59.69420 9.344696 -21.56010      14.71196 
1 1 1 -14 19 7  o 62.25871 6.563803 346.7088       68.73260 305.0343       86.27790 419.0982       113.7107 57.16451 9.146734 66.45318 10.35802 -9.288666      13.81852 
1 1 1 -14 19 8  o 43.43350 8.674872 176.8780       62.08933 225.2737       75.09233 72.28551       110.3933 48.84488 9.343193 32.47215 13.03890 16.37273       16.04082 
1 1 1 -14 19 9  o 31.60412 9.654668 93.99844       56.90355 89.44913       66.82517 105.9981       108.5307 31.27711 10.55083 35.05238 13.24767 -3.775272      16.93578 
1 1 1 -14 19 10 f 82.20831 5.202739 593.8983       72.66145 608.8743       95.01130 572.7992       112.7745 82.42125 6.811510 78.90305 8.504185 3.518196       10.89577 
1 1 1 -14 19 11 o 26.67331 9.295557 61.55323       51.98073 47.35156       59.08487 110.1864       109.3385 25.49461 9.741184 35.27288 13.30508 -9.778273      16.48987 
1 1 1 -14 19 12 o 47.60104 7.268497 207.6145       57.20964 231.2423       68.43135 152.7654       104.2627 49.78260 8.344955 39.03430 13.17890 10.74830       15.59877 
1 1 1 -14 19 13 o 40.70352 8.958663 158.3133       60.58169 173.3705       69.12037 108.4146       125.8284 42.26738 9.771693 35.66857 14.05095 6.598816       17.11476 
1 1 1 -14 19 14 o 17.46979 7.834058 -15.78315      48.40378 -82.95777      54.02892 257.3611       108.9481 14.48311 7.022974 49.77987 12.75774 -35.29676      14.56304 
1 1 1 -14 19 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 19 16 o 39.28492 9.439601 150.9929       62.53742 151.8389       69.96340 147.6303       139.4841 38.99617 10.33851 38.44041 14.89394 0.5557632      18.13048 
1 1 1 -14 19 17 o 25.34550 10.08919 43.72065       65.50652 -0.9330153     71.65612 270.8869       161.6206 22.22451 9.771290 47.32903 16.39671 -25.10452      19.08743 
1 1 1 -14 19 18 o 42.62855 10.36374 184.1891       74.71045 207.6118       89.69783 131.1312       135.0015 44.44128 11.66991 36.41250 14.48722 8.028778       18.60286 
1 1 1 -14 20 1  o 53.92237 7.913118 269.5937       70.69716 126.0236       101.9539 402.5640       98.11814 36.08809 12.97695 65.36053 9.032234 -29.27245      15.81083 
1 1 1 -14 20 2  o 42.52571 9.339183 174.1658       65.96473 267.7388       96.28535 91.40005       90.55458 51.86488 11.19917 32.35201 12.12747 19.51287       16.50748 
1 1 1 -14 20 3  o 49.33175 9.191731 231.9041       74.58395 118.1177       113.8990 317.3223       98.68475 35.86131 13.56703 57.06587 10.51418 -21.20456      17.16428 
1 1 1 -14 20 4  o 68.19662 6.535849 418.2795       75.18209 365.4951       108.9583 466.2500       103.8711 61.13441 10.83352 70.64945 8.800395 -9.515038      13.95751 
1 1 1 -14 20 5  o 75.97910 6.031162 514.6971       77.60884 484.7814       112.4682 541.8911       107.2300 71.61882 9.424945 76.54504 8.338356 -4.926216      12.58403 
1 1 1 -14 20 6  o 21.04757 9.160460 -0.2641350     61.58242 9.622647       82.14207 -12.95298      93.05701 24.64852 10.65337 24.50115 10.93348 0.1473694      15.26550 
1 1 1 -14 20 7  o 87.20637 5.595922 673.7440       82.89402 591.1636       108.8457 787.7807       127.9073 80.12325 8.064800 92.48405 8.183388 -12.36080      11.48951 
1 1 1 -14 20 8  o 21.87432 9.124842 17.55453       56.70778 29.73961       65.81903 -17.54528      111.7094 24.25636 9.946246 26.31509 11.84269 -2.058733      15.46535 
1 1 1 -14 20 9  o 89.63401 5.520251 712.0100       84.08451 747.8043       121.4274 679.0338       116.5495 90.12557 7.972043 85.79607 8.049112 4.329498       11.32880 
1 1 1 -14 20 10 o 39.40089 9.869418 152.7723       66.26332 146.4346       82.35617 164.4073       111.5874 37.99028 11.61647 39.67834 13.63127 -1.688061      17.90961 
1 1 1 -14 20 11 o 20.82768 9.216557 -7.709929      64.74435 25.39635       80.20424 -69.63885      109.6955 25.41325 10.74137 23.42854 10.96672 1.984713       15.35077 
1 1 1 -14 20 12 o 39.06491 11.13686 155.8580       77.91400 134.9047       95.76760 196.8787       133.9968 36.38374 12.62074 42.10004 14.90471 -5.716301      19.53032 
1 1 1 -14 20 13 o 29.27025 11.03449 74.28220       75.17669 23.80333       99.16143 142.5080       115.2822 27.06802 11.70210 37.17914 13.73318 -10.11112      18.04271 
1 1 1 -14 20 14 o 32.92965 10.91120 107.9175       71.50710 71.96471       86.92868 183.1575       125.7538 29.70496 11.68608 40.60583 14.43221 -10.90087      18.57022 
1 1 1 -13 0  1  o 232.1173 7.991887 4620.992       315.9294 4620.992       315.9294 4620.992       315.9294 232.1173 7.991887 232.1173 7.991887 0.000000       0.000000 
1 1 1 -13 0  2  o 111.6078 6.608027 1075.373       124.9306 1075.373       124.9306 1075.373       124.9306 111.6078 6.608027 111.6078 6.608027 0.000000       0.000000 
1 1 1 -13 0  3  f 243.0619 18.56654 5156.970       760.2970 5156.970       760.2970 5156.970       760.2970 243.0619 18.56654 243.0619 18.56654 0.000000       0.000000 
1 1 1 -13 0  4  o 87.35154 14.14047 702.2276       194.3517 702.2276       194.3517 702.2276       194.3517 87.35154 14.14047 87.35154 14.14047 0.000000       0.000000 
1 1 1 -13 0  5  o 108.9638 13.98264 1065.500       248.4324 1065.500       248.4324 1065.500       248.4324 108.9638 13.98264 108.9638 13.98264 0.000000       0.000000 
1 1 1 -13 0  6  o 430.1535 42.05288 16652.35       3021.250 16652.35       3021.250 16652.35       3021.250 430.1535 42.05288 430.1535 42.05288 0.000000       0.000000 
1 1 1 -13 0  7  o 80.28085 22.59168 669.0234       268.1252 669.0234       268.1252 669.0234       268.1252 80.28085 22.59168 80.28085 22.59168 0.000000       0.000000 
1 1 1 -13 0  8  o 34.06609 17.67300 145.0230       133.0924 145.0230       133.0924 145.0230       133.0924 34.06609 17.67300 34.06609 17.67300 0.000000       0.000000 
1 1 1 -13 0  9  o 157.2526 22.76483 2255.292       574.0479 2255.292       574.0479 2255.292       574.0479 157.2526 22.76483 157.2526 22.76483 0.000000       0.000000 
1 1 1 -13 0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 0  13 o 79.34681 22.13647 652.2017       259.5054 652.2017       259.5054 652.2017       259.5054 79.34681 22.13647 79.34681 22.13647 0.000000       0.000000 
1 1 1 -13 0  14 o 477.1600 6.653060 19468.45       541.8726 19468.45       541.8726 19468.45       541.8726 477.1600 6.653060 477.1600 6.653060 0.000000       0.000000 
1 1 1 -13 0  15 o 109.7056 11.40967 1063.312       208.4550 1063.312       208.4550 1063.312       208.4550 109.7056 11.40967 109.7056 11.40967 0.000000       0.000000 
1 1 1 -13 0  16 o 238.7515 10.67954 4909.464       433.4289 4909.464       433.4289 4909.464       433.4289 238.7515 10.67954 238.7515 10.67954 0.000000       0.000000 
1 1 1 -13 0  17 o 44.07826 16.96548 227.2054       120.9480 227.2054       120.9480 227.2054       120.9480 44.07826 16.96548 44.07826 16.96548 0.000000       0.000000 
1 1 1 -13 0  18 o 71.22138 12.87397 475.2993       141.3875 475.2993       141.3875 475.2993       141.3875 71.22138 12.87397 71.22138 12.87397 0.000000       0.000000 
1 1 1 -13 0  19 o 17.00981 10.97683 -1.058766      74.15823 -1.058766      74.15823 -1.058766      74.15823 17.00981 10.97683 17.00981 10.97683 0.000000       0.000000 
1 1 1 -13 0  20 o 64.61118 16.05846 419.5212       153.3276 419.5212       153.3276 419.5212       153.3276 64.61118 16.05846 64.61118 16.05846 0.000000       0.000000 
1 1 1 -13 0  21 o 125.2778 14.48580 1408.949       299.1125 1408.949       299.1125 1408.949       299.1125 125.2778 14.48580 125.2778 14.48580 0.000000       0.000000 
1 1 1 -13 0  22 o 32.82807 14.68418 134.5242       87.61401 134.5242       87.61401 134.5242       87.61401 32.82807 14.68418 32.82807 14.68418 0.000000       0.000000 
1 1 1 -13 0  23 o 303.1885 8.856019 7918.391       457.6295 7918.391       457.6295 7918.391       457.6295 303.1885 8.856019 303.1885 8.856019 0.000000       0.000000 
1 1 1 -13 0  24 o 216.8033 6.499102 4039.622       240.1248 4039.622       240.1248 4039.622       240.1248 216.8033 6.499102 216.8033 6.499102 0.000000       0.000000 
1 1 1 -13 0  25 o 240.4743 6.059891 4965.538       248.4917 4965.538       248.4917 4965.538       248.4917 240.4743 6.059891 240.4743 6.059891 0.000000       0.000000 
1 1 1 -13 0  26 o 17.73403 11.95721 -44.78208      104.6997 -44.78208      104.6997 -44.78208      104.6997 17.73403 11.95721 17.73403 11.95721 0.000000       0.000000 
1 1 1 -13 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 0  28 o 192.8078 6.957970 3206.463       228.4148 3206.463       228.4148 3206.463       228.4148 192.8078 6.957970 192.8078 6.957970 0.000000       0.000000 
1 1 1 -13 0  29 o 175.2370 6.661294 2650.971       198.6824 2650.971       198.6824 2650.971       198.6824 175.2370 6.661294 175.2370 6.661294 0.000000       0.000000 
1 1 1 -13 0  30 o 48.00306 16.58568 264.9897       122.5104 264.9897       122.5104 264.9897       122.5104 48.00306 16.58568 48.00306 16.58568 0.000000       0.000000 
1 1 1 -13 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 0  32 o 19.57204 13.11524 -34.11746      122.3769 -34.11746      122.3769 -34.11746      122.3769 19.57204 13.11524 19.57204 13.11524 0.000000       0.000000 
1 1 1 -13 0  33 o 23.82706 14.74835 48.98508       118.9606 48.98508       118.9606 48.98508       118.9606 23.82706 14.74835 23.82706 14.74835 0.000000       0.000000 
1 1 1 -13 0  34 o 19.64053 12.93915 -6.717277      110.9212 -6.717277      110.9212 -6.717277      110.9212 19.64053 12.93915 19.64053 12.93915 0.000000       0.000000 
1 1 1 -13 0  35 o 93.49284 9.063967 800.9288       141.5869 800.9288       141.5869 800.9288       141.5869 93.49284 9.063967 93.49284 9.063967 0.000000       0.000000 
1 1 1 -13 0  36 o 58.17530 14.83363 371.0093       127.3999 371.0093       127.3999 371.0093       127.3999 58.17530 14.83363 58.17530 14.83363 0.000000       0.000000 
1 1 1 -13 0  37 o 18.07933 12.25251 -29.67061      112.7010 -29.67061      112.7010 -29.67061      112.7010 18.07933 12.25251 18.07933 12.25251 0.000000       0.000000 
1 1 1 -13 1  1  o 249.2561 5.180456 5308.990       220.5036 5194.280       307.6755 5430.127       316.1766 246.4505 7.310738 251.9814 7.347833 -5.530899      10.36521 
1 1 1 -13 1  2  o 506.3340 10.84279 21966.00       937.5192 22333.07       1009.314 19657.73       2531.017 510.4230 11.57962 471.9568 31.58677 38.46622       33.64241 
1 1 1 -13 1  3  o 204.4181 6.675218 3572.571       233.0165 3561.988       256.1524 3623.346       561.0643 204.0867 7.349908 204.5864 16.19186 -0.4997253     17.78194 
1 1 1 -13 1  4  o 116.8500 6.313457 1170.588       125.5114 1201.377       145.3632 1080.391       248.8023 118.3072 7.229877 111.4113 13.34291 6.895897       15.17578 
1 1 1 -13 1  5  o 477.4381 25.34179 19888.80       2058.725 19878.03       3565.833 19894.19       2521.406 466.5989 45.32418 474.8695 31.26822 -8.270630      55.06344 
1 1 1 -13 1  6  o 322.0178 18.14546 8969.560       993.7481 8790.835       1720.589 9059.021       1217.312 314.3633 32.52137 322.5911 22.23348 -8.227875      39.39501 
1 1 1 -13 1  7  o 728.9565 48.12328 48746.30       5956.736 50578.91       8424.087 46913.68       8424.108 716.2909 69.75532 685.3259 73.11069 30.96497       101.0494 
1 1 1 -13 1  8  o 199.7576 23.67237 3511.874       791.7975 3511.874       791.7975 0.000000       0.000000 199.7576 23.67237 ?        ?        0.000000       23.67237 
1 1 1 -13 1  9  o 219.3041 24.91781 4237.361       916.5985 4237.361       916.5985 0.000000       0.000000 219.3041 24.91781 ?        ?        0.000000       24.91781 
1 1 1 -13 1  10 o 176.2200 22.28483 2734.654       655.6144 2734.654       655.6144 0.000000       0.000000 176.2200 22.28483 ?        ?        0.000000       22.28483 
1 1 1 -13 1  11 o 436.8407 42.80033 17429.76       3151.790 0.000000       0.000000 17429.76       3151.790 ?        ?        436.8407 42.80033 0.000000       42.80033 
1 1 1 -13 1  12 o 360.3256 35.96328 11687.89       2183.311 0.000000       0.000000 11687.89       2183.311 ?        ?        360.3256 35.96328 0.000000       35.96328 
1 1 1 -13 1  13 o 325.0280 9.686378 9051.492       537.6307 0.000000       0.000000 9051.492       537.6307 ?        ?        325.0280 9.686378 0.000000       9.686378 
1 1 1 -13 1  14 o 442.0952 8.162336 16732.24       616.2150 11069.40       1974.457 17343.33       648.6123 351.0100 33.34045 450.0549 8.439521 -99.04486      34.39202 
1 1 1 -13 1  15 f 668.1645 11.22130 38327.27       1280.349 37565.68       1813.613 39083.97       1807.776 659.5955 16.10145 672.9634 15.73082 -13.36792      22.51034 
1 1 1 -13 1  16 o 291.5172 6.256440 7269.995       311.4536 7340.977       446.5912 7202.781       434.5783 292.6451 8.936491 289.8973 8.778533 2.747803       12.52691 
1 1 1 -13 1  17 o 446.1770 7.707345 17056.52       587.2377 17095.52       819.3746 17015.34       842.0485 445.9559 10.75942 444.8170 11.08546 1.138824       15.44838 
1 1 1 -13 1  18 o 167.3569 6.096212 2397.661       174.2230 2480.977       254.4052 2324.078       239.0849 169.7764 8.805225 164.3438 8.548671 5.432556       12.27240 
1 1 1 -13 1  19 o 99.85765 7.902503 861.1310       133.6551 832.8542       147.7469 988.5129       313.5863 98.04009 8.922606 104.7663 18.18775 -6.726204      20.25851 
1 1 1 -13 1  20 o 38.60199 10.66733 132.6206       72.65738 176.5164       93.66811 66.31007       115.1255 44.40765 12.04637 34.72555 13.50971 9.682106       18.10048 
1 1 1 -13 1  21 o 159.6145 4.549944 2180.847       124.0167 2092.577       159.5213 2315.705       197.1748 156.2062 5.980239 164.1851 7.032595 -7.978958      9.231503 
1 1 1 -13 1  22 o 205.5553 5.420366 3622.773       190.2651 3472.711       280.9118 3749.964       258.6194 200.7163 8.195688 208.7891 7.253565 -8.072800      10.94456 
1 1 1 -13 1  23 o 84.49654 5.861248 615.9234       84.04996 520.5685       107.9691 762.5891       133.9036 77.21487 8.319727 93.58933 8.470239 -16.37446      11.87278 
1 1 1 -13 1  24 o 220.5244 4.811483 4170.047       181.1914 4017.006       235.9836 4389.856       282.8139 216.0870 6.395157 225.6242 7.340289 -9.537201      9.735393 
1 1 1 -13 1  25 o 277.8004 6.306503 6643.483       299.1737 6037.437       448.1760 7130.603       401.8034 263.2209 9.970717 286.9981 8.198467 -23.77722      12.90853 
1 1 1 -13 1  26 o 17.96634 8.380857 -58.60825      63.16315 -56.58164      85.47974 -61.04565      93.74346 22.02487 10.08592 23.09058 10.56963 -1.065704      14.60968 
1 1 1 -13 1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 1  28 o 39.27382 14.13589 120.7970       121.0047 130.7361       137.1069 85.78165       257.3445 41.16459 15.01258 46.70672 19.45721 -5.542133      24.57561 
1 1 1 -13 1  29 o 66.07416 8.661141 387.4028       95.37219 409.2438       128.4792 360.5965       142.3360 66.98798 11.65467 62.09439 13.78298 4.893589       18.04998 
1 1 1 -13 1  30 o 58.05751 8.682400 302.3602       83.43629 204.5897       120.1827 393.3273       115.9258 46.67401 13.98063 65.64601 10.71057 -18.97200      17.61177 
1 1 1 -13 1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 1  32 o 81.83454 6.708636 591.3134       92.92610 710.7204       135.3967 484.9805       127.7695 88.61106 9.075898 72.24905 10.67773 16.36201       14.01377 
1 1 1 -13 1  33 o 29.69269 11.45756 63.11615       82.28217 131.3146       110.4142 -22.05864      123.3938 37.91236 13.51818 28.06329 12.55171 9.849064       18.44687 
1 1 1 -13 1  34 o 57.24770 8.695750 304.5225       82.33562 140.6947       106.8841 543.6185       129.1235 38.16170 13.32770 75.72666 10.24844 -37.56496      16.81244 
1 1 1 -13 1  35 o 24.24383 10.34737 16.45768       75.67922 71.01533       113.1539 -27.69869      101.7978 31.83863 13.04664 24.56899 11.15659 7.269638       17.16637 
1 1 1 -13 1  36 o 17.79570 8.408825 -61.43344      67.21741 -70.63351      90.24305 -49.96849      100.7405 20.78814 9.798409 23.07547 10.70320 -2.287333      14.51094 
1 1 1 -13 1  37 f 48.82876 10.65838 246.4522       86.37844 283.2961       116.0367 200.6604       129.3619 49.94242 13.34936 41.06339 14.63320 8.879028       19.80747 
1 1 1 -13 2  1  o 311.9850 5.988864 8319.835       319.0657 8976.431       449.5219 7653.182       452.9518 323.9131 8.126816 299.0295 8.870253 24.88354       12.03023 
1 1 1 -13 2  2  f 123.5316 5.498125 1304.136       115.9831 1287.769       128.4183 1376.581       270.1735 122.7405 6.126849 126.0348 12.72743 -3.294365      14.12536 
1 1 1 -13 2  3  o 331.9302 8.415759 9427.217       477.0260 9469.368       518.5391 9195.137       1216.736 332.6094 9.129458 325.0979 22.04730 7.511536       23.86274 
1 1 1 -13 2  4  o 666.7280 14.98136 38210.03       1705.697 38650.80       1844.337 35604.52       4484.155 670.2114 16.11486 628.1593 42.04591 42.05212       45.02829 
1 1 1 -13 2  5  o 342.7243 8.009370 10048.48       468.7542 10359.52       511.3447 8411.196       1173.187 347.9363 8.606213 310.7943 22.25233 37.14200       23.85861 
1 1 1 -13 2  6  o 499.1002 26.41845 21777.24       2243.614 22437.83       3885.937 21446.91       2747.895 494.8335 46.53354 492.1581 32.88522 2.675415       56.98077 
1 1 1 -13 2  7  o 457.1721 44.50694 19078.03       3430.579 19078.03       3430.579 0.000000       0.000000 457.1721 44.50694 ?        ?        0.000000       44.50694 
1 1 1 -13 2  8  o 215.6329 24.65790 4095.075       891.6486 4095.075       891.6486 0.000000       0.000000 215.6329 24.65790 ?        ?        0.000000       24.65790 
1 1 1 -13 2  9  o 250.1680 27.10405 5528.399       1139.374 5528.399       1139.374 0.000000       0.000000 250.1680 27.10405 ?        ?        0.000000       27.10405 
1 1 1 -13 2  10 o 448.5670 28.88149 17720.62       2200.565 19502.73       3112.861 15940.32       3111.277 464.5925 39.61455 416.8145 44.39457 47.77798       59.49950 
1 1 1 -13 2  11 f 327.9058 22.43294 9380.507       1248.592 9996.534       1766.715 8765.786       1764.839 335.2967 31.21430 312.8344 33.56031 22.46228       45.83260 
1 1 1 -13 2  12 o 255.5550 7.634728 5587.913       333.1807 4723.965       915.6791 5719.750       357.7000 231.8226 23.45319 258.5179 8.102636 -26.69536      24.81340 
1 1 1 -13 2  13 o 175.0354 12.44870 2644.378       369.6672 0.000000       0.000000 2644.378       369.6672 ?        ?        175.0354 12.44870 0.000000       12.44870 
1 1 1 -13 2  14 o 41.61823 13.74358 141.9350       113.4851 0.000000       0.000000 141.9350       113.4851 ?        ?        41.61823 13.74358 0.000000       13.74358 
1 1 1 -13 2  15 o 90.06662 9.682728 703.4791       146.5848 668.0696       260.6658 719.8556       177.2701 86.22838 18.27030 90.80354 11.70472 -4.575165      21.69803 
1 1 1 -13 2  16 o 117.0602 7.040415 1177.212       140.0829 959.8651       184.6449 1471.952       215.0206 105.2282 10.41214 130.6265 9.708722 -25.39837      14.23629 
1 1 1 -13 2  17 f 369.1693 9.633416 11703.00       607.3063 11706.02       632.8362 11667.86       2159.929 369.1266 10.03955 354.2469 36.21439 14.87970       37.58024 
1 1 1 -13 2  18 o 150.2419 5.706236 1931.928       146.4005 1931.467       216.7898 1932.314       198.5002 149.7672 8.511710 149.9042 7.781105 -0.1370392     11.53234 
1 1 1 -13 2  19 o 257.5746 5.636205 5680.591       247.9086 5477.827       334.5709 5927.459       369.1683 252.6206 7.755639 262.6966 8.229396 -10.07607      11.30809 
1 1 1 -13 2  20 o 136.5921 4.752909 1596.884       110.8631 1584.331       155.5657 1609.838       158.0315 135.8918 6.703760 136.9762 6.756109 -1.084381      9.517637 
1 1 1 -13 2  21 o 97.10063 5.830790 811.4108       96.23537 918.4413       135.3736 702.0603       136.8329 103.0345 7.750733 89.76810 9.049662 13.26639       11.91513 
1 1 1 -13 2  22 o 101.6599 5.151353 888.0844       89.13586 854.8954       117.2136 933.5974       137.2612 99.47504 6.943758 103.8210 7.799122 -4.346008      10.44232 
1 1 1 -13 2  23 o 59.13059 6.942720 304.9788       68.77017 218.6312       116.1045 351.6443       85.35369 49.06974 13.45379 63.33385 8.075742 -14.26411      15.69147 
1 1 1 -13 2  24 o 134.4204 5.678943 1552.203       130.3570 1764.295       211.6549 1422.584       165.4637 142.4623 8.742399 128.1619 7.594201 14.30037       11.58022 
1 1 1 -13 2  25 o 153.9830 4.894764 2034.682       128.7083 2039.787       170.9936 2028.009       195.5001 153.8809 6.507185 153.2212 7.471819 0.6597290      9.908156 
1 1 1 -13 2  26 o 167.7346 11.50696 2485.528       327.6054 2722.865       460.8603 2243.089       465.7870 173.1297 15.76077 155.7215 17.83783 17.40826       23.80315 
1 1 1 -13 2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 2  28 o 136.6613 5.371540 1606.841       125.3563 1584.855       161.9186 1639.735       198.0511 135.1799 7.038606 137.0230 8.506143 -1.843048      11.04067 
1 1 1 -13 2  29 o 118.2154 7.357879 1218.341       147.7985 1220.820       163.7478 1207.442       343.3313 118.0537 8.172858 111.8409 18.63227 6.212852       20.34594 
1 1 1 -13 2  30 o 175.6641 4.628823 2658.326       138.8531 2600.321       191.5279 2722.588       201.5945 173.0006 6.483097 176.9308 6.672266 -3.930176      9.303208 
1 1 1 -13 2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 2  32 o 44.43825 11.41507 189.1814       87.08183 173.3582       118.7932 207.5609       128.0294 42.58603 14.06124 45.95622 14.55205 -3.370193      20.23563 
1 1 1 -13 2  33 o 42.11638 10.65255 170.6820       76.66647 293.2945       109.4928 52.74824       107.3835 54.75689 12.03766 31.04745 12.71455 23.70944       17.50900 
1 1 1 -13 2  34 o 33.83405 12.30765 102.6687       92.06612 45.23793       110.7798 230.9070       165.5379 30.36961 12.71835 46.30978 16.54793 -15.94016      20.87080 
1 1 1 -13 2  35 o 58.12400 10.17066 329.6725       97.27296 401.4054       118.3482 180.3113       170.7740 63.33276 11.36026 41.44413 16.35547 21.88863       19.91374 
1 1 1 -13 2  36 o 23.90132 10.24494 16.62368       74.76256 -33.59505      109.3612 60.68587       102.4385 24.80881 11.37818 29.86630 12.34489 -5.057499      16.78867 
1 1 1 -13 2  37 o 61.20819 8.146565 358.1857       83.03553 411.7299       116.0475 302.0119       118.8630 62.89455 11.21624 51.52626 13.38735 11.36829       17.46496 
1 1 1 -13 3  1  f 611.7172 9.595673 32043.19       1002.370 30772.54       1445.035 33221.61       1391.605 598.4495 14.13999 622.0846 13.09980 -23.63513      19.27547 
1 1 1 -13 3  2  f 457.8427 8.491896 17938.18       663.9308 18890.85       957.7200 17056.74       921.2232 469.3281 11.94979 445.9384 12.09729 23.38971       17.00417 
1 1 1 -13 3  3  o 447.0642 10.34568 17121.57       789.8251 17379.89       855.8866 15639.31       2050.199 450.3075 11.13026 421.7778 28.63456 28.52969       30.72167 
1 1 1 -13 3  4  o 326.9431 7.836842 9144.011       437.5375 9337.348       476.2664 8098.188       1107.698 330.3314 8.443027 305.1097 21.39534 25.22165       23.00099 
1 1 1 -13 3  5  o 290.8557 7.237781 7234.846       359.4883 7447.300       392.3587 6123.880       897.2242 295.0577 7.787075 265.4637 19.93782 29.59406       21.40456 
1 1 1 -13 3  6  o 338.7668 7.938006 9818.064       459.2130 9993.292       480.6380 7982.996       1555.401 341.7508 8.235815 299.9325 30.80564 41.81833       31.88756 
1 1 1 -13 3  7  o 311.9734 9.121607 8331.988       485.9491 8335.942       509.6970 8292.501       1610.786 312.0064 9.566358 305.4910 31.31995 6.515411       32.74835 
1 1 1 -13 3  8  o 353.5159 24.16947 10919.35       1450.327 10751.48       2050.720 11087.34       2051.425 346.4494 35.14954 352.1371 34.56008 -5.687653      49.29391 
1 1 1 -13 3  9  o 759.8566 39.28539 51934.47       5080.157 55000.54       8799.140 50401.46       6221.878 742.4657 70.23478 737.4571 49.69609 5.008606       86.03851 
1 1 1 -13 3  10 o 345.1298 34.65349 10679.76       2014.774 10679.76       2014.774 0.000000       0.000000 345.1298 34.65349 ?        ?        0.000000       34.65349 
1 1 1 -13 3  11 f 289.5186 8.007177 7173.228       395.8747 5637.908       1178.578 7368.476       420.2935 252.1081 27.84047 293.3997 8.388630 -41.29163      29.07681 
1 1 1 -13 3  12 f 360.4832 11.25599 11147.92       692.9006 13540.98       2323.275 10914.27       725.9380 387.8304 35.47263 356.5833 11.92166 31.24704       37.42237 
1 1 1 -13 3  13 o 142.4760 13.03395 1759.249       313.6035 2289.199       460.4432 1300.699       428.3035 161.9721 16.89561 120.5783 21.59382 41.39373       27.41815 
1 1 1 -13 3  14 f 317.4869 8.286565 8631.971       449.2647 7535.316       1055.814 8874.436       496.4518 293.5168 21.20731 321.8254 9.033476 -28.30862      23.05111 
1 1 1 -13 3  15 o 298.3156 16.96197 7727.625       860.5111 7390.362       1053.290 8404.525       1492.198 290.2781 21.39957 306.4579 28.85340 -16.17981      35.92298 
1 1 1 -13 3  16 o 249.0008 15.06200 5380.361       637.4363 5281.850       779.9328 5578.546       1106.243 245.6269 18.73559 249.5459 26.35849 -3.919006      32.33871 
1 1 1 -13 3  17 o 101.8442 6.762786 892.2014       116.9466 827.5407       156.5258 973.9037       175.9475 97.70046 9.502049 106.0125 9.830913 -8.311989      13.67245 
1 1 1 -13 3  18 o 355.5300 5.442760 10817.91       330.4436 10435.87       407.0272 11556.53       565.9534 348.9607 6.830381 366.7127 9.037594 -17.75198      11.32838 
1 1 1 -13 3  19 o 287.6595 5.348548 7084.597       262.7342 7024.772       327.4403 7192.736       440.2361 286.2205 6.699302 289.1462 8.915920 -2.925781      11.15232 
1 1 1 -13 3  20 f 237.0535 4.763961 4810.576       192.8486 4807.156       244.1458 4816.250       314.4714 236.7823 6.038068 236.6799 7.780684 0.1024017      9.848722 
1 1 1 -13 3  21 f 19.01441 8.827138 -59.92346      68.73560 5.684099       97.55830 -124.5940      96.85912 27.93192 11.82848 20.76401 9.892810 7.167915       15.42014 
1 1 1 -13 3  22 f 137.5316 5.449696 1622.288       127.9902 1737.579       196.8300 1537.826       168.4716 141.7112 8.168254 133.4468 7.422270 8.264374       11.03678 
1 1 1 -13 3  23 o 106.0045 4.994678 963.6287       90.41356 793.7031       121.0892 1177.728       135.9202 95.66641 7.471427 116.7724 6.846115 -21.10601      10.13368 
1 1 1 -13 3  24 o 205.8383 4.486205 3631.836       157.6911 3638.809       200.2350 3620.448       255.8772 205.7892 5.697911 204.8520 7.314583 0.9372101      9.271963 
1 1 1 -13 3  25 o 82.93742 5.869504 594.5717       82.59234 451.6538       113.3038 756.6183       120.6483 71.44375 9.524300 93.24894 7.643805 -21.80519      12.21229 
1 1 1 -13 3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 3  27 o 101.1754 6.436097 886.2992       110.6206 868.0012       138.6082 918.3996       183.5873 99.68772 8.215436 101.7800 10.72419 -2.092239      13.50932 
1 1 1 -13 3  28 o 44.54106 11.35147 181.8713       86.59294 161.5443       112.4619 211.4708       135.7100 42.67197 13.65216 48.18029 14.94185 -5.508316      20.23957 
1 1 1 -13 3  29 o 133.1527 5.485564 1529.227       124.7306 1539.573       154.8618 1510.121       210.4489 133.0648 6.838319 130.6987 9.493994 2.366089       11.70036 
1 1 1 -13 3  30 o 59.97048 11.39022 333.8076       112.3810 333.8076       112.3810 0.000000       0.000000 59.97048 11.39022 ?        ?        0.000000       11.39022 
1 1 1 -13 3  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 3  32 o 62.24327 8.960826 354.3297       92.49986 355.2950       112.5278 352.3183       162.4338 61.26716 11.16693 58.41312 15.87095 2.854046       19.40586 
1 1 1 -13 3  33 o 54.24186 11.66110 286.6587       104.8008 262.6397       113.5624 424.5450       272.0931 51.19086 12.97422 59.17819 21.20815 -7.987335      24.86194 
1 1 1 -13 3  34 o 20.86725 9.834749 -78.77564      90.87368 -169.2193      103.1296 235.3457       192.1955 19.24739 9.414303 46.37672 17.60484 -27.12933      19.96395 
1 1 1 -13 3  35 o 35.08253 12.16678 122.1209       88.99989 155.9349       102.5448 18.88488       179.1763 38.69575 13.06985 33.21120 14.96739 5.484550       19.87067 
1 1 1 -13 3  36 o 31.69902 11.21359 97.50733       75.83242 149.4798       103.0007 35.99338       112.0573 37.49628 13.08402 28.81185 12.44790 8.684435       18.05940 
1 1 1 -13 3  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4  1  o 175.2809 5.268919 2625.694       157.7096 2858.314       218.5991 2373.186       227.7524 182.8156 7.002178 166.5385 8.008410 16.27708       10.63791 
1 1 1 -13 4  2  o 468.3096 8.266356 18767.53       661.0725 19057.39       952.3903 18498.02       918.3348 471.3618 11.83201 464.4374 11.57902 6.924438       16.55507 
1 1 1 -13 4  3  o 320.6674 6.436219 8791.522       352.4420 8502.468       506.7745 9062.290       490.4812 315.1110 9.417797 325.3760 8.827443 -10.26508      12.90808 
1 1 1 -13 4  4  o 400.9811 7.756953 13755.08       531.1497 13102.66       749.1410 14414.58       753.1937 390.9419 11.22146 410.1145 10.75473 -19.17267      15.54302 
1 1 1 -13 4  5  o 369.7910 8.965126 11706.13       566.1281 11863.05       591.1118 9966.689       1968.086 372.2245 9.299566 333.4589 35.08857 38.76566       36.30000 
1 1 1 -13 4  6  o 330.7455 8.702138 9363.387       491.4982 9431.558       513.3424 8613.134       1702.991 331.9133 9.056921 310.7504 32.57657 21.16287       33.81214 
1 1 1 -13 4  7  o 247.6958 7.408719 5248.063       313.3745 5237.315       328.2438 5358.694       1053.118 247.4197 7.768915 246.6889 25.36027 0.7307892      26.52356 
1 1 1 -13 4  8  o 135.7454 6.095695 1575.319       141.3026 1508.473       155.8354 1884.394       335.0910 132.6315 6.904323 147.5071 13.45085 -14.87560      15.11936 
1 1 1 -13 4  9  o 308.7633 8.290153 8159.437       437.1094 8191.112       475.4825 7986.620       1110.639 309.2960 9.002400 302.6533 21.63203 6.642700       23.43050 
1 1 1 -13 4  10 o 138.4963 9.804374 1651.561       230.3796 0.000000       0.000000 1651.561       230.3796 ?        ?        138.4963 9.804374 0.000000       9.804374 
1 1 1 -13 4  11 o 347.8776 6.092466 10347.42       361.9274 5851.299       981.3670 11055.22       389.3748 258.4166 22.46212 359.5578 6.341576 -101.1412      23.34014 
1 1 1 -13 4  12 o 467.2005 11.14128 18729.50       888.8743 16820.34       3033.098 18908.87       929.6929 427.3469 42.10995 469.3351 11.59991 -41.98825      43.67843 
1 1 1 -13 4  13 o 122.9476 8.495355 1300.776       177.2686 1335.772       266.1313 1272.867       237.6676 124.0060 12.74915 121.1990 11.62602 2.806938       17.25413 
1 1 1 -13 4  14 o 260.9708 15.86969 5905.173       703.8745 6034.479       862.5124 5647.361       1217.889 262.8577 19.35118 250.7915 28.97070 12.06627       34.83919 
1 1 1 -13 4  15 o 327.8948 9.066031 9220.931       507.6375 9505.252       1260.404 9165.880       554.6092 328.4124 22.61221 326.7681 9.939064 1.644257       24.70014 
1 1 1 -13 4  16 o 207.5484 6.799606 3688.851       240.9933 3518.489       436.2705 3763.663       289.1054 201.5663 12.74020 209.5153 8.080504 -7.949051      15.08666 
1 1 1 -13 4  17 o 272.5468 5.993413 6359.443       278.9441 6149.943       395.1397 6567.563       393.8367 267.6326 8.645889 276.6243 8.337271 -8.991669      12.01089 
1 1 1 -13 4  18 o 179.6465 5.051052 2761.793       154.9539 2603.458       200.3345 2997.586       244.4741 174.2683 6.731865 186.8843 7.660520 -12.61597      10.19812 
1 1 1 -13 4  19 o 208.9108 4.511998 3734.492       160.9651 3521.191       209.4836 4041.976       251.5150 202.6823 6.052465 217.0460 6.785944 -14.36368      9.092930 
1 1 1 -13 4  20 o 168.0399 5.036191 2418.672       144.5161 2184.721       214.0544 2614.629       195.9031 159.3425 7.866662 174.5197 6.573475 -15.17715      10.25158 
1 1 1 -13 4  21 o 173.8628 4.474837 2588.351       132.8574 2708.262       172.8995 2415.475       207.6026 177.6873 5.698170 167.5683 7.255027 10.11906       9.225213 
1 1 1 -13 4  22 o 77.73150 5.885039 521.7217       77.53838 424.7818       98.91016 676.2746       124.8901 69.62891 8.494694 88.10627 8.402628 -18.47736      11.94839 
1 1 1 -13 4  23 o 144.0987 4.867923 1780.597       119.7859 1726.507       161.9005 1846.019       178.0552 141.6217 6.694472 146.3628 7.123967 -4.741104      9.775830 
1 1 1 -13 4  24 o 69.49611 5.621606 417.6876       66.14349 407.6512       90.47845 429.2080       96.93723 68.22376 7.913130 69.94751 8.275947 -1.723747      11.45028 
1 1 1 -13 4  25 o 176.2352 13.56198 2774.541       405.0137 2827.250       487.1551 2656.558       728.8402 176.1602 16.38182 162.2843 27.26687 13.87589       31.80953 
1 1 1 -13 4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4  27 o 127.1387 7.618967 1405.398       164.6528 1401.267       267.0402 1407.932       209.1391 125.0015 12.68581 126.5345 9.754102 -1.532997      16.00226 
1 1 1 -13 4  28 o 96.22013 9.061714 815.8628       147.1405 465.6083       245.3859 1012.500       183.8617 68.93590 19.80015 106.8584 10.19968 -37.92252      22.27284 
1 1 1 -13 4  29 o 76.31876 7.245250 511.2355       93.29284 564.8970       122.7540 437.8582       143.5441 79.62508 9.197030 68.66849 12.70934 10.95660       15.68798 
1 1 1 -13 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 4  31 o 104.5167 6.433493 958.2957       114.2667 947.5582       126.0581 1007.770       270.5881 103.5952 7.169817 100.4653 16.33320 3.129890       17.83759 
1 1 1 -13 4  32 o 34.35838 12.91425 95.07643       102.8199 86.94867       114.6575 128.4535       232.3490 34.47246 13.46247 43.68642 18.36360 -9.213963      22.76971 
1 1 1 -13 4  33 o 94.08760 7.222852 792.9858       115.1638 682.2946       131.0504 1168.305       241.3138 86.10139 9.048405 108.7495 13.26950 -22.64810      16.06092 
1 1 1 -13 4  34 o 25.34872 11.10134 2.858831       91.69633 -31.13703      100.8439 165.1519       220.3366 24.43917 11.10016 42.49684 17.87407 -18.05768      21.04034 
1 1 1 -13 4  35 o 55.18896 10.63808 303.4514       96.62260 309.8548       105.4327 269.8683       241.4504 55.06871 11.57896 46.28289 19.02247 8.785812       22.26941 
1 1 1 -13 4  36 o 40.79871 11.66104 176.6840       85.30821 227.5925       102.7630 63.82524       153.0063 45.56050 12.72121 32.83314 14.36063 12.72737       19.18480 
1 1 1 -13 5  1  o 698.9676 10.59335 41885.40       1264.423 41191.02       1824.104 42527.63       1754.267 691.5619 15.44602 703.0115 14.61273 -11.44965      21.26291 
1 1 1 -13 5  2  o 212.0517 5.757698 3843.852       208.4935 3934.216       280.3011 3731.937       311.9385 214.4330 7.654755 208.7813 8.749344 5.651749       11.62524 
1 1 1 -13 5  3  f 332.5242 5.842743 9452.261       331.7737 9400.371       463.5465 9506.760       475.0631 331.4199 8.190545 333.2750 8.347311 -1.855103      11.69456 
1 1 1 -13 5  4  o 208.5202 4.794254 3715.469       170.7148 4400.301       237.5584 2984.135       245.4912 226.8677 6.131911 186.7576 7.697606 40.11012       9.841415 
1 1 1 -13 5  5  o 129.6989 4.998246 1437.539       110.7021 1463.364       140.0618 1394.552       180.7036 130.8263 6.269353 127.3747 8.353992 3.451546       10.44481 
1 1 1 -13 5  6  o 458.4492 10.52453 18014.82       823.9406 18268.39       892.7761 16558.10       2139.849 461.5236 11.32783 433.1270 29.10012 28.39658       31.22718 
1 1 1 -13 5  7  o 851.2322 18.49881 62619.00       2689.018 63169.34       2905.452 59332.48       7100.115 854.1484 19.91950 794.2429 52.64770 59.90546       56.29002 
1 1 1 -13 5  8  o 271.2176 5.357791 6287.243       248.1450 6510.411       330.2827 5998.007       376.0068 275.8868 7.010564 264.7113 8.318046 11.17548       10.87832 
1 1 1 -13 5  9  o 242.8657 8.288872 5049.195       343.7664 4630.888       374.3388 7300.871       868.4999 232.5001 9.428437 290.2179 17.60767 -57.71776      19.97312 
1 1 1 -13 5  10 f 271.4119 6.615363 6300.461       306.6088 5849.757       419.4798 6817.459       449.2723 261.2967 9.401025 282.0902 9.326523 -20.79355      13.24248 
1 1 1 -13 5  11 o 248.0731 6.542269 5263.771       277.1469 4437.518       364.9821 6389.005       425.9280 227.5600 9.392339 273.0770 9.133750 -45.51703      13.10120 
1 1 1 -13 5  12 o 354.3599 19.57045 10934.42       1179.671 11441.31       1445.035 9921.635       2042.573 360.9424 23.57384 329.4158 36.94717 31.52658       43.82716 
1 1 1 -13 5  13 o 82.32756 8.912795 587.6741       123.3024 544.7540       175.5621 629.4536       173.2134 78.42645 13.60199 84.68108 12.34102 -6.254639      18.36614 
1 1 1 -13 5  14 o 152.3728 7.001959 1987.743       182.1918 1881.173       350.5355 2027.188       213.2603 146.9675 14.14176 153.5886 8.160378 -6.621048      16.32731 
1 1 1 -13 5  15 o 90.80698 7.097536 710.5905       109.1848 737.1718       153.4868 683.3594       155.3512 92.10713 9.914526 88.54817 10.47695 3.558960       14.42444 
1 1 1 -13 5  16 o 166.7399 5.585699 2379.292       159.0447 2063.022       231.3826 2662.555       218.9761 154.7555 8.791812 176.2457 7.275723 -21.49016      11.41193 
1 1 1 -13 5  17 o 173.2254 5.301433 2568.286       156.8219 2303.441       214.3080 2873.578       230.0915 163.8361 7.659967 183.0273 7.361780 -19.19115      10.62407 
1 1 1 -13 5  18 o 214.6022 5.121845 3942.762       187.6992 3925.465       269.5290 3959.050       261.5447 213.8239 7.381544 214.7763 7.131118 -0.9523468     10.26353 
1 1 1 -13 5  19 o 64.19814 7.623441 359.2246       81.94131 474.1416       122.3988 265.8911       110.3072 73.42517 10.02368 54.28108 12.19747 19.14409       15.78772 
1 1 1 -13 5  20 o 111.8479 4.845615 1071.565       92.55050 1103.480       123.5258 1030.721       139.7415 113.1863 6.417302 109.1939 7.540397 3.992393       9.901483 
1 1 1 -13 5  21 o 57.73077 7.221291 291.2044       69.63348 181.4877       90.32736 451.9182       109.3225 44.81525 11.68319 71.73979 9.130682 -26.92455      14.82789 
1 1 1 -13 5  22 o 70.69826 6.715158 433.9056       80.09802 472.5940       112.3397 393.9003       114.2356 73.31527 9.173812 66.54916 10.39176 6.766106       13.86173 
1 1 1 -13 5  23 o 103.9323 5.037103 926.8373       89.39912 968.1729       121.9054 878.7405       131.4978 105.8032 6.782907 100.5844 7.714506 5.218826       10.27236 
1 1 1 -13 5  24 o 228.7688 4.648579 4489.143       181.6013 4560.877       226.7502 4360.825       303.2674 230.3050 5.765572 224.5008 7.910536 5.804169       9.788688 
1 1 1 -13 5  25 f 110.9099 18.73871 1157.826       342.2602 1638.476       442.4910 441.9983       540.0004 131.3184 20.39384 73.53973 29.06397 57.77867       35.50526 
1 1 1 -13 5  26 o 97.96399 5.970088 829.3709       99.39663 881.6990       142.3718 779.6132       138.8311 100.4502 8.376259 94.32346 8.717787 6.126709       12.08973 
1 1 1 -13 5  27 f 151.1206 4.948075 1962.581       127.6915 1949.124       165.5562 1982.343       200.6192 150.2628 6.451964 150.9642 7.808819 -0.7013550     10.12944 
1 1 1 -13 5  28 o 64.64480 8.160912 369.8115       88.08218 376.7685       113.0015 359.0397       140.6098 64.50900 10.62819 61.92945 13.66244 2.579544       17.30956 
1 1 1 -13 5  29 o 71.33553 10.49722 462.5434       124.0505 771.6133       269.4159 379.3889       139.7454 87.80579 18.54919 63.34731 13.33990 24.45849       22.84788 
1 1 1 -13 5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 5  31 o 41.97504 12.44903 168.9902       95.64336 128.8366       104.0771 387.0583       242.5429 37.86599 13.15564 59.47950 20.10051 -21.61351      24.02293 
1 1 1 -13 5  32 o 37.37676 13.02435 128.8178       102.0466 85.07908       113.1809 318.8845       235.9353 34.05973 13.35492 53.71885 19.67787 -19.65912      23.78177 
1 1 1 -13 5  33 o 29.33736 12.46645 31.18507       108.9778 31.18507       108.9778 0.000000       0.000000 29.33736 12.46645 ?        ?        0.000000       12.46645 
1 1 1 -13 5  34 o 103.3258 7.179131 968.8751       125.8862 938.4516       139.0754 1106.839       296.1607 100.8386 8.146028 95.99011 18.74001 4.848442       20.43394 
1 1 1 -13 5  35 f 37.38679 11.86102 144.6033       85.02499 120.2743       95.81473 234.7421       184.4278 34.79364 12.57113 44.26318 17.13284 -9.469543      21.25011 
1 1 1 -13 5  36 o 50.34100 9.716278 253.4431       80.50091 311.3653       101.0906 153.0507       133.0880 54.66703 11.20528 37.32918 14.52467 17.33785       18.34460 
1 1 1 -13 6  1  o 333.6302 8.991728 9536.345       512.2836 9525.116       556.0827 9599.318       1316.914 333.3315 9.769246 330.7040 23.47180 2.627533       25.42368 
1 1 1 -13 6  2  o 353.2077 6.758549 10671.62       407.6482 11040.47       573.9691 10296.18       579.0681 358.9571 9.363624 346.5907 9.783874 12.36646       13.54259 
1 1 1 -13 6  3  o 583.4323 9.691661 29170.76       965.5852 28151.99       1363.347 30196.13       1367.751 572.0290 13.95682 592.5721 13.51649 -20.54315      19.42906 
1 1 1 -13 6  4  o 190.5653 4.986414 3103.679       162.2685 3116.563       220.4909 3088.456       239.6717 190.8835 6.764261 189.9885 7.387330 0.8950043      10.01638 
1 1 1 -13 6  5  o 341.0983 6.697690 9951.343       390.1274 10085.46       561.1655 9825.889       542.7426 343.0796 9.578426 338.6598 9.384871 4.419800       13.40977 
1 1 1 -13 6  6  o 388.4258 7.091816 12907.31       470.4001 11992.72       660.4106 13849.17       670.1895 374.0010 10.34045 401.9976 9.762753 -27.99655      14.22098 
1 1 1 -13 6  7  o 226.4214 5.490785 4382.519       212.3018 4944.497       272.7477 3518.598       338.1727 240.4345 6.642971 202.6193 9.773630 37.81525       11.81748 
1 1 1 -13 6  8  o 67.81448 6.774831 397.2963       77.40546 391.6657       98.42659 406.4237       125.3161 67.05276 8.809134 67.94036 11.19106 -0.8876038     14.24222 
1 1 1 -13 6  9  o 175.4671 5.670569 2632.398       169.9121 2412.838       216.7649 2982.279       273.6348 167.9019 7.560169 186.6011 8.587272 -18.69923      11.44104 
1 1 1 -13 6  10 o 57.79523 6.719162 289.6169       65.07693 289.4537       74.02907 290.1716       136.5190 57.63988 7.714528 56.93253 14.11271 0.7073517      16.08361 
1 1 1 -13 6  11 o 302.8975 7.688701 7855.752       397.6954 7846.599       429.5374 7910.715       1052.537 302.6492 8.311120 300.6806 20.62353 1.968567       22.23521 
1 1 1 -13 6  12 o 389.4515 7.149785 12985.05       475.4976 12658.75       662.6824 13331.33       682.6733 384.0144 10.10546 394.0759 10.14451 -10.06146      14.31892 
1 1 1 -13 6  13 o 123.6474 5.044285 1307.355       106.5091 1415.646       134.8627 1127.853       173.6324 128.6201 6.140180 114.3142 8.966561 14.30585       10.86743 
1 1 1 -13 6  14 o 104.1438 6.928003 933.0869       122.5063 890.0099       165.8463 984.8177       181.7430 101.3240 9.703670 106.5661 10.10796 -5.242126      14.01185 
1 1 1 -13 6  15 o 300.6777 6.242472 7742.031       320.5234 7388.205       454.8167 8091.142       451.7756 293.2448 9.082475 306.9730 8.618282 -13.72818      12.52063 
1 1 1 -13 6  16 o 188.5655 5.155892 3043.027       166.0229 2931.050       240.7537 3144.561       229.2519 184.8085 7.628675 191.4968 7.010508 -6.688354      10.36069 
1 1 1 -13 6  17 o 101.9206 5.771072 892.7823       100.0308 821.0479       147.9603 953.1710       135.7561 97.25300 9.011632 105.0753 7.617570 -7.822281      11.79987 
1 1 1 -13 6  18 o 37.19975 9.826083 123.7751       63.35014 85.67251       77.80650 198.7110       109.1147 32.97290 11.37934 47.06803 13.09654 -14.09513      17.34960 
1 1 1 -13 6  19 o 233.0091 4.919023 4650.777       195.7283 4616.167       243.2960 4714.269       329.5250 231.9306 6.142923 233.9091 8.249722 -1.978531      10.28559 
1 1 1 -13 6  20 o 97.85112 5.115796 822.9390       85.18630 806.7470       114.3286 843.1478       127.7247 96.60747 6.977076 98.65531 7.641056 -2.047844      10.34724 
1 1 1 -13 6  21 o 63.90587 7.606502 356.9474       81.37876 451.5844       108.4180 234.8239       123.1603 71.68237 9.059280 50.78300 13.82889 20.89936       16.53205 
1 1 1 -13 6  22 o 133.0949 4.655836 1518.697       105.8184 1586.840       141.1093 1431.136       159.9560 135.8523 6.082562 128.6151 7.313145 7.237167       9.512079 
1 1 1 -13 6  23 o 161.2651 4.397477 2229.371       121.1005 2352.001       157.3414 2051.151       189.6802 165.4427 5.569210 154.1698 7.204780 11.27284       9.106314 
1 1 1 -13 6  24 o 26.17044 11.69859 -40.38362      107.0308 -25.60999      112.8156 -173.4580      338.5890 27.79078 12.23850 43.69005 20.03147 -15.89927      23.47425 
1 1 1 -13 6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 6  26 o 92.98879 6.184613 748.7183       97.64753 719.5678       134.2446 781.4702       142.2958 90.50803 8.796901 94.31130 8.942282 -3.803276      12.54392 
1 1 1 -13 6  27 o 81.07914 6.077774 570.3811       83.53800 508.6131       107.6889 663.7173       132.3775 75.96075 8.444889 86.69923 9.075722 -10.73848      12.39697 
1 1 1 -13 6  28 o 145.8068 4.741151 1830.188       118.0493 1921.747       149.8775 1680.564       191.5957 149.0792 5.887316 138.3983 8.142746 10.68095       10.04812 
1 1 1 -13 6  29 o 86.32453 6.635445 653.0728       97.06630 682.5879       121.2704 600.4510       161.9256 87.68538 8.193866 80.37829 12.17859 7.307091       14.67847 
1 1 1 -13 6  30 o 29.81778 11.94231 49.39935       92.34586 14.96582       98.18304 313.4290       271.8767 27.81412 11.82636 55.73508 20.98993 -27.92096      24.09233 
1 1 1 -13 6  31 o 53.85449 18.11566 308.6825       196.9986 519.4249       266.7156 55.70090       292.2247 66.83256 20.98338 43.73444 19.45561 23.09812       28.61508 
1 1 1 -13 6  32 o 77.14014 12.98889 586.9388       165.0226 519.4241       223.7267 667.5039       244.3950 67.49026 18.74395 76.90271 18.77389 -9.412453      26.52912 
1 1 1 -13 6  33 o 101.7226 6.606920 925.7614       114.1456 904.7483       123.3908 1050.431       300.5511 100.0804 7.269539 94.05611 19.35779 6.024292       20.67777 
1 1 1 -13 6  34 f 74.02583 10.73188 539.6672       131.7070 539.6672       131.7070 0.000000       0.000000 74.02583 10.73188 ?        ?        0.000000       10.73188 
1 1 1 -13 6  35 o 65.69074 7.702884 402.8334       84.76879 303.4957       105.2396 586.3514       143.0413 53.95678 11.75427 75.90266 11.38707 -21.94589      16.36545 
1 1 1 -13 6  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7  1  o 38.94905 11.40613 132.6663       80.72755 558.4997       233.1060 74.63523       86.05256 78.70271 17.76567 32.66236 11.89624 46.04034       21.38082 
1 1 1 -13 7  2  o 120.3468 6.746071 1243.326       138.0808 1212.109       145.3051 1534.055       443.4336 118.7768 7.197836 131.2119 20.45749 -12.43510      21.68681 
1 1 1 -13 7  3  o 192.4047 4.728112 3164.234       155.3479 3085.804       220.9687 3240.881       218.4432 189.8957 6.814182 194.6239 6.572650 -4.728180      9.467461 
1 1 1 -13 7  4  o 234.0238 4.853380 4681.334       193.9574 4807.112       276.2229 4559.005       272.4113 237.0196 6.824542 230.8156 6.911272 6.204010       9.712880 
1 1 1 -13 7  5  o 487.6304 7.691552 20358.17       640.4816 22193.66       1116.915 19458.89       781.7914 507.8919 12.87795 476.3745 9.610376 31.51740       16.06863 
1 1 1 -13 7  6  o 107.3645 4.544769 985.1674       83.32487 1002.736       115.9008 966.3727       119.8782 108.0864 6.306715 106.0701 6.651945 2.016350       9.166407 
1 1 1 -13 7  7  o 677.4294 9.638779 39355.63       1115.034 39610.80       1925.416 39226.86       1367.725 676.6813 16.66243 675.5617 11.85583 1.119568       20.44987 
1 1 1 -13 7  8  o 137.6989 5.876631 1621.693       138.1850 1617.223       152.3154 1642.489       328.5147 137.4836 6.487704 137.3039 14.21702 0.1796265      15.62734 
1 1 1 -13 7  9  o 301.6129 7.559124 7790.281       389.3348 7945.809       423.8680 6950.784       984.7725 304.5359 8.150614 281.5338 20.62705 23.00201       22.17899 
1 1 1 -13 7  10 o 487.8836 8.216094 20399.74       684.5159 20169.68       956.5048 20641.25       980.0272 484.2401 11.56710 489.8214 11.71651 -5.581329      16.46434 
1 1 1 -13 7  11 o 277.2060 5.250384 6571.996       248.5397 7062.490       341.0488 6016.486       362.9489 287.1850 6.954289 264.9391 8.022276 22.24597       10.61692 
1 1 1 -13 7  12 o 111.6416 5.302473 1066.169       101.0896 1149.305       134.0215 956.4431       153.9700 115.6437 6.816722 105.2307 8.644646 10.41296       11.00898 
1 1 1 -13 7  13 o 222.7796 4.649291 4244.299       176.8740 4182.940       219.8524 4356.879       297.8000 221.0645 5.823850 225.4017 7.736875 -4.337128      9.683825 
1 1 1 -13 7  14 o 74.15302 6.597768 474.8489       82.67359 376.1036       103.0144 653.5378       138.5762 65.46467 9.491685 86.65858 9.521249 -21.19392      13.44419 
1 1 1 -13 7  15 o 207.0058 4.709099 3666.344       166.4647 3506.931       208.9210 3943.518       275.4828 202.3201 6.047015 214.3448 7.526268 -12.02466      9.654589 
1 1 1 -13 7  16 o 161.0072 5.399083 2220.284       148.4456 2146.580       217.0936 2285.008       203.4386 157.8069 8.083122 163.1279 7.303031 -5.320953      10.89363 
1 1 1 -13 7  17 o 109.6944 5.469139 1031.135       102.4484 1019.682       157.3713 1039.559       134.9640 108.4701 8.565681 109.7578 7.241489 -1.287689      11.21651 
1 1 1 -13 7  18 o 134.4799 5.204392 1549.791       119.5169 1481.269       175.2001 1609.435       163.4554 130.9360 7.872197 136.6614 7.027874 -5.725342      10.55284 
1 1 1 -13 7  19 o 109.4013 5.469330 1026.481       102.1783 1118.882       149.9291 946.3455       139.6244 113.7052 7.768026 104.5064 7.881783 9.198792       11.06638 
1 1 1 -13 7  20 o 66.10202 5.854251 378.1242       65.39917 349.6803       84.47494 420.6769       103.3227 63.16712 8.011399 69.17368 8.957220 -6.006561      12.01725 
1 1 1 -13 7  21 o 206.7068 4.483414 3661.873       158.2580 3670.065       198.4152 3647.547       262.3758 206.7179 5.620759 205.6221 7.472260 1.095734       9.350273 
1 1 1 -13 7  22 f 83.87286 5.242978 606.3087       74.71652 608.2805       97.46324 603.4981       116.3609 83.72973 6.877227 83.09475 8.311826 0.6349792      10.78808 
1 1 1 -13 7  23 o 131.8891 11.24351 1536.507       250.8105 1527.485       276.9526 1577.639       591.3730 130.9748 12.53584 123.3989 28.61930 7.575829       31.24439 
1 1 1 -13 7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7  25 o 106.8531 5.602886 985.0522       101.8790 972.3344       134.4851 1002.180       156.0699 105.7284 7.497315 107.0374 8.611365 -1.309006      11.41776 
1 1 1 -13 7  26 o 150.1879 4.862967 1938.343       124.7206 2009.229       159.7518 1827.696       199.5887 152.6221 6.129522 144.8030 8.104071 7.819092       10.16105 
1 1 1 -13 7  27 o 116.4921 5.524368 1170.572       109.8957 1229.158       134.0734 1050.618       191.8442 118.9306 6.627912 108.4914 10.48576 10.43917       12.40485 
1 1 1 -13 7  28 o 29.48617 11.23994 58.45443       78.54981 17.13594       88.22823 216.3942       172.4968 26.97917 11.32703 48.58131 16.93325 -21.60214      20.37245 
1 1 1 -13 7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 7  30 o 19.13481 8.842197 -48.21294      67.81399 -24.83839      80.18954 -106.9004      127.0629 22.59801 10.11208 24.94397 11.71646 -2.345959      15.47674 
1 1 1 -13 7  31 o 22.37199 10.26595 -48.79582      89.18594 -39.70440      93.83649 -133.7560      286.8557 23.51844 10.69182 37.28311 17.54163 -13.76467      20.54322 
1 1 1 -13 7  32 o 43.66450 12.02699 190.5466       92.53529 119.9678       100.5092 583.1533       237.0543 35.99631 12.89094 70.16487 19.21840 -34.16856      23.14137 
1 1 1 -13 7  33 o 48.70464 11.85830 242.2279       97.70348 235.6461       103.8823 292.6701       287.5859 47.55852 12.59263 48.53037 20.41653 -0.9718475     23.98768 
1 1 1 -13 7  34 o 37.06530 15.78137 112.3642       175.2669 137.4945       262.4433 92.13340       235.4737 40.80083 18.27294 38.37523 17.23897 2.425602       25.12135 
1 1 1 -13 7  35 o 26.40264 11.41442 26.44782       94.34563 26.44782       94.34563 0.000000       0.000000 26.40264 11.41442 ?        ?        0.000000       11.41442 
1 1 1 -13 8  1  o 132.5737 4.071626 1502.347       92.17797 1458.162       130.8491 1545.876       129.8750 130.5313 5.870217 134.4110 5.658341 -3.879669      8.153298 
1 1 1 -13 8  2  o 240.1294 6.697485 4937.537       274.6370 3471.794       969.8848 5065.309       286.3572 194.1438 30.23931 243.1956 6.895257 -49.05183      31.01548 
1 1 1 -13 8  3  o 220.3179 7.078257 4157.334       266.3042 4245.687       293.6590 3748.278       631.8661 222.5810 7.725976 206.7015 18.08303 15.87946       19.66435 
1 1 1 -13 8  4  o 293.4161 5.027704 7362.127       251.9159 8251.405       418.1461 6855.459       315.6248 310.2856 7.891592 282.9911 6.531251 27.29446       10.24375 
1 1 1 -13 8  5  o 537.0995 7.810540 24721.05       716.3705 25224.97       1215.500 24452.85       886.7415 540.7360 13.16339 533.6415 9.730732 7.094482       16.36954 
1 1 1 -13 8  6  o 555.9542 8.768386 26512.94       832.4546 26002.18       1199.056 26988.20       1156.628 549.1481 12.78639 559.7486 12.10037 -10.60046      17.60428 
1 1 1 -13 8  7  o 202.3936 5.122223 3503.203       177.0343 3523.943       250.3011 3482.442       250.4274 202.8302 7.226503 201.6282 7.273253 1.202072       10.25293 
1 1 1 -13 8  8  o 153.8036 4.341639 2022.204       114.0308 2125.431       173.6748 1943.983       151.1825 157.5663 6.454632 150.7248 5.873741 6.841507       8.727148 
1 1 1 -13 8  9  o 216.4036 4.854143 4004.810       179.3821 3945.983       232.5194 4091.296       281.9301 214.6894 6.342299 218.4843 7.556477 -3.794907      9.865348 
1 1 1 -13 8  10 o 342.4821 6.274710 10042.83       366.9724 11274.94       512.0745 8741.965       526.1672 362.5118 8.271973 318.9252 9.661242 43.58655       12.71869 
1 1 1 -13 8  11 o 57.64854 6.516633 288.2766       63.02610 299.9685       76.25191 263.0639       111.9744 58.62682 7.810786 54.13271 12.38194 4.494114       14.63970 
1 1 1 -13 8  12 o 221.0683 4.551427 4179.969       171.8209 3949.269       214.5834 4592.155       286.8266 214.7605 5.851130 231.4047 7.258475 -16.64412      9.323153 
1 1 1 -13 8  13 o 274.7503 4.994547 6460.232       234.3345 6257.247       290.6698 6837.103       396.0631 270.2160 6.299222 282.0968 8.221751 -11.88077      10.35748 
1 1 1 -13 8  14 o 46.92474 9.890846 196.9298       76.75855 160.7493       107.1916 235.0085       109.9676 43.01080 13.26966 51.05248 12.67285 -8.041676      18.34898 
1 1 1 -13 8  15 o 157.8685 4.271085 2132.419       115.1425 2132.299       144.9783 2132.625       189.4883 157.7672 5.381268 157.5932 7.041139 0.1739349      8.862036 
1 1 1 -13 8  16 o 325.0781 5.461408 9057.186       303.1757 8976.355       375.4733 9208.608       513.9120 323.2877 6.801237 326.6460 9.213180 -3.358246      11.45162 
1 1 1 -13 8  17 o 114.7812 4.598842 1128.215       90.14071 949.4913       111.9425 1457.825       152.0215 104.9810 6.272977 130.0621 6.869023 -25.08114      9.302351 
1 1 1 -13 8  18 o 64.32836 6.093857 358.4709       66.14346 369.1758       85.96753 342.9397       103.5487 64.97783 7.910865 62.12835 10.10754 2.849480       12.83527 
1 1 1 -13 8  19 o 198.8261 5.214799 3390.980       177.0569 3423.076       252.3771 3359.871       248.4613 199.2958 7.415661 197.4589 7.368517 1.836914       10.45405 
1 1 1 -13 8  20 o 91.11169 5.174118 714.6028       80.17104 746.6623       99.83142 656.3763       134.5394 92.95619 6.326717 86.52065 9.249308 6.435547       11.20612 
1 1 1 -13 8  21 o 85.61285 5.646602 632.5423       82.08854 631.0681       104.3128 634.9404       133.0400 85.22364 7.236035 85.00993 9.317190 0.2137146      11.79704 
1 1 1 -13 8  22 o 123.5728 10.47046 1343.770       218.8710 1314.818       242.5199 1470.880       508.1544 121.7348 11.81502 121.4147 25.32831 0.3201752      27.94849 
1 1 1 -13 8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8  24 o 93.95816 5.534482 761.9409       88.40792 658.9038       114.0246 917.2415       139.9872 86.88312 7.767208 102.5415 8.059354 -15.65842      11.19298 
1 1 1 -13 8  25 o 20.61235 9.253431 -29.68545      67.72867 -3.706108      86.89337 -69.90153      108.1116 25.52914 10.99567 24.70701 11.32468 0.8221302      15.78459 
1 1 1 -13 8  26 o 114.6699 5.422767 1133.350       106.1872 1052.684       127.9672 1311.702       190.2792 110.0057 6.846050 121.9751 9.202969 -11.96944      11.47009 
1 1 1 -13 8  27 o 30.83084 10.72043 77.91676       69.11933 87.95715       75.08503 22.15836       176.9429 32.45762 11.17986 36.64388 15.73539 -4.186264      19.30264 
1 1 1 -13 8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8  29 f 54.88692 8.545632 273.7803       77.49019 263.4465       92.33052 298.4020       142.5197 53.02882 10.56704 54.64429 14.87434 -1.615467      18.24577 
1 1 1 -13 8  30 o 40.36298 11.02704 156.2470       78.16064 44.39166       89.54548 514.1435       160.1747 28.80407 11.68076 72.28642 13.47147 -43.48235      17.83033 
1 1 1 -13 8  31 o 111.7537 5.295722 1091.501       101.0623 1048.928       124.9380 1172.083       171.8902 108.5759 6.772200 113.1121 8.972627 -4.536163      11.24147 
1 1 1 -13 8  32 o 23.67157 10.43769 -5.147018      82.31425 -34.85576      87.99741 202.8227       232.8240 22.61248 10.30846 44.72447 18.55876 -22.11199      21.22951 
1 1 1 -13 8  33 o 83.24561 7.156932 632.8549       100.7504 615.5067       110.1633 721.5540       249.0979 81.41986 8.027746 74.87502 19.34428 6.544838       20.94387 
1 1 1 -13 8  34 o 48.51712 11.15032 242.8771       90.44434 160.1212       101.7451 554.5671       197.4585 38.52631 13.01876 66.64436 17.22532 -28.11805      21.59166 
1 1 1 -13 8  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9  1  o 75.63905 4.739723 491.3731       60.91188 442.3092       83.49682 547.1885       89.05653 71.49335 6.925997 79.63062 6.608857 -8.137276      9.573215 
1 1 1 -13 9  2  o 267.6693 5.042397 6130.464       230.4823 6883.191       380.3400 5693.627       289.7427 283.1956 7.864725 257.7636 6.582471 25.43195       10.25587 
1 1 1 -13 9  3  f 246.7045 6.008926 5211.854       253.1487 5063.930       1129.229 5219.681       259.7601 234.3956 28.81886 246.8711 6.161695 -12.47559      29.47021 
1 1 1 -13 9  4  o 303.4889 7.717599 7901.292       399.9696 7971.301       434.7701 7515.750       1020.278 304.7076 8.355540 291.1597 20.65440 13.54782       22.28047 
1 1 1 -13 9  5  o 309.3298 5.617764 8190.105       296.7476 7951.884       425.8654 8414.939       413.7267 304.3746 8.193359 313.2005 7.735513 -8.825958      11.26807 
1 1 1 -13 9  6  o 498.9519 7.459527 21349.67       635.5825 21395.03       1093.124 21326.49       781.2057 497.3382 12.87110 498.1202 9.183948 -0.7819824     15.81171 
1 1 1 -13 9  7  o 52.49183 8.084620 241.9364       70.14302 291.9299       91.29243 169.8944       109.5899 57.49575 9.639348 44.14557 13.37904 13.35019       16.48987 
1 1 1 -13 9  8  o 333.3159 5.127718 9506.738       291.8651 9246.958       478.9317 9660.212       368.1185 328.0950 8.548149 335.7881 6.419785 -7.693146      10.69039 
1 1 1 -13 9  9  o 365.4790 5.507085 11435.18       343.7053 11635.97       559.2786 11313.32       435.6893 367.8925 8.902364 363.2266 7.024208 4.665924       11.33982 
1 1 1 -13 9  10 f 101.9818 5.238509 892.5906       90.92097 842.1375       111.9559 990.3240       155.8203 98.88791 6.668771 106.9933 8.601046 -8.105354      10.88350 
1 1 1 -13 9  11 o 217.5786 4.828772 4051.408       179.4133 4490.455       246.4523 3556.391       261.6903 228.8789 6.305581 203.5180 7.529790 25.36095       9.821308 
1 1 1 -13 9  12 o 29.35823 9.032517 74.16258       49.70513 74.74986       59.25457 72.76814       91.30637 30.12013 9.930212 32.87145 12.20604 -2.751324      15.73520 
1 1 1 -13 9  13 o 153.3242 4.195529 2011.329       109.8498 1927.888       134.3378 2179.715       190.8356 150.0238 5.243678 159.3208 7.014310 -9.296951      8.757666 
1 1 1 -13 9  14 o 112.8526 4.674752 1090.402       90.08906 1057.838       113.4590 1145.962       148.2003 110.8944 6.013871 115.1921 7.576246 -4.297737      9.672959 
1 1 1 -13 9  15 o 190.2619 4.120735 3097.952       133.8839 3034.964       165.9526 3215.373       226.5841 188.1945 5.163871 193.4409 6.859292 -5.246414      8.585770 
1 1 1 -13 9  16 o 52.70001 6.740971 242.5266       59.27441 275.4698       72.40663 175.5938       103.2084 56.03177 7.777020 44.33645 12.87207 11.69532       15.03902 
1 1 1 -13 9  17 o 96.92047 4.819237 805.0787       79.76194 811.7419       97.65388 791.7243       138.2484 97.05045 5.920689 95.35362 8.582212 1.696831       10.42636 
1 1 1 -13 9  18 o 65.94132 6.173084 376.9485       68.70341 355.1059       84.22718 420.3765       118.7639 63.66830 7.917901 68.78172 10.43929 -5.113422      13.10236 
1 1 1 -13 9  19 o 189.7079 4.614887 3085.252       149.5025 3069.090       185.8466 3114.890       251.6735 188.9991 5.758282 189.9213 7.760004 -0.9221344     9.663098 
1 1 1 -13 9  20 o 95.91418 4.901965 791.3810       80.02061 793.0256       97.06094 787.8911       141.3906 95.84445 5.959800 94.91793 8.824121 0.9265213      10.64821 
1 1 1 -13 9  21 o 115.2533 15.27040 1209.101       293.1419 1209.101       293.1419 0.000000       0.000000 115.2533 15.27040 ?        ?        0.000000       15.27040 
1 1 1 -13 9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9  23 o 154.9306 4.875727 2061.314       128.9967 1887.754       166.5424 2321.590       203.9464 147.9137 6.593476 163.8421 7.289348 -15.92839      9.828963 
1 1 1 -13 9  24 o 69.32644 7.386992 420.7669       86.10479 395.4559       95.29875 533.2833       200.9279 66.90581 8.535536 75.24369 16.12264 -8.337883      18.24267 
1 1 1 -13 9  25 f 66.50806 7.477569 388.9505       83.45283 403.5004       97.07489 347.7450       163.3633 67.44181 8.626681 60.38043 15.69781 7.061378       17.91203 
1 1 1 -13 9  26 o 81.23900 6.321039 575.7589       87.00062 511.7239       102.1664 744.7063       165.9493 76.07105 7.983837 90.69707 10.93526 -14.62601      13.53963 
1 1 1 -13 9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9  28 o 23.28123 10.16041 -7.072820      76.21817 -71.27489      92.10266 132.4210       135.7610 21.87788 10.17694 39.85600 14.86707 -17.97812      18.01665 
1 1 1 -13 9  29 o 38.28302 9.699243 138.1116       63.48319 152.7297       68.93336 56.48009       162.8967 40.16545 10.06926 36.08210 15.28248 4.083344       18.30148 
1 1 1 -13 9  30 o 44.40170 9.588533 186.6107       70.57604 269.0406       82.84711 -31.47463      134.7560 53.63746 9.386915 28.68760 12.94966 24.94986       15.99399 
1 1 1 -13 9  31 o 36.65598 10.70709 131.3245       71.21694 138.7984       85.09836 113.8553       130.1029 37.50054 11.86284 36.50496 14.31716 0.9955788      18.59323 
1 1 1 -13 9  32 o 60.37863 7.847290 338.1415       78.99779 358.9482       90.18627 269.5449       163.7533 61.61534 8.823256 47.89504 16.50955 13.72029       18.71938 
1 1 1 -13 9  33 o 69.47102 6.846612 441.0678       80.16753 387.4717       96.83287 557.8406       142.9312 63.45764 9.204491 73.94807 11.70874 -10.49043      14.89353 
1 1 1 -13 9  34 o 34.22620 11.69932 122.4331       82.17588 194.8837       103.0723 -3.955027      136.1363 41.60106 13.04155 28.17091 12.83439 13.43015       18.29764 
1 1 1 -13 10 1  o 177.4089 4.234568 2692.623       128.2881 2681.344       203.3418 2700.080       165.3484 176.7717 6.736154 177.5397 5.453845 -0.7679443     8.667191 
1 1 1 -13 10 2  o 88.09360 4.478115 665.7428       67.14437 668.9393       94.48241 662.4814       95.43774 88.10068 6.322184 87.65953 6.420233 0.4411469      9.010516 
1 1 1 -13 10 3  o 74.29115 5.055274 474.6816       63.75191 493.7312       87.93903 453.5793       92.55564 75.54549 6.892542 72.27264 7.613963 3.272842       10.27032 
1 1 1 -13 10 4  o 55.79638 7.451244 272.0030       69.22254 19.98801       240.1284 294.8438       72.29144 43.71665 18.53767 58.12931 7.454401 -14.41267      19.98033 
1 1 1 -13 10 5  o 27.78882 9.396982 61.85194       53.00955 78.07528       65.56131 31.22060       90.08666 31.07389 10.45073 28.96984 11.72717 2.104053       15.70810 
1 1 1 -13 10 6  o 162.7942 4.461935 2267.496       124.0407 2394.417       199.0909 2186.971       158.5806 167.0393 6.979604 159.7627 5.812631 7.276596       9.083036 
1 1 1 -13 10 7  o 177.2404 4.129520 2687.072       124.9868 2744.770       194.6715 2646.609       163.0253 178.9112 6.371812 175.7856 5.430878 3.125610       8.372241 
1 1 1 -13 10 8  o 326.4002 5.211117 9123.337       290.4579 9679.468       480.3728 8802.839       364.6721 335.4167 8.386712 320.3156 6.666879 15.10114       10.71374 
1 1 1 -13 10 9  o 207.8597 4.491113 3697.438       159.4139 3663.723       256.3339 3718.701       203.5685 206.5302 7.268095 208.3089 5.722699 -1.778732      9.250648 
1 1 1 -13 10 10 o 473.4077 7.153354 19251.10       578.2916 20488.14       968.7509 18566.24       720.8087 485.9630 11.67366 464.0529 9.096003 21.91013       14.79904 
1 1 1 -13 10 11 o 148.9093 5.930609 1901.511       150.8075 1927.114       235.8702 1883.807       196.1336 149.1569 9.306812 147.7803 7.799637 1.376678       12.14294 
1 1 1 -13 10 12 o 104.5945 4.239396 936.2783       75.72070 999.3422       94.35709 822.2006       126.9066 108.0021 5.116118 97.45958 7.687738 10.54247       9.234500 
1 1 1 -13 10 13 o 136.5798 4.143225 1596.507       96.63329 1509.847       121.3130 1746.955       159.8415 132.7164 5.352795 142.6165 6.563235 -9.900009      8.469266 
1 1 1 -13 10 14 o 128.3954 4.060900 1411.016       89.03766 1326.588       113.0991 1548.632       144.3942 124.3858 5.324591 134.2811 6.296990 -9.895256      8.246414 
1 1 1 -13 10 15 o 216.3094 4.548625 4008.317       168.0187 3852.044       211.6559 4274.592       276.2826 211.8215 5.851381 222.8087 7.261384 -10.98718      9.325575 
1 1 1 -13 10 16 o 77.40748 4.783220 515.5466       62.91757 507.6856       75.18449 533.9156       114.9297 76.67706 5.784558 78.09503 8.769596 -1.417969      10.50557 
1 1 1 -13 10 17 o 152.2649 4.322863 1986.364       112.4018 1794.509       139.6033 2339.968       189.5255 144.5491 5.655594 164.8617 6.732029 -20.31258      8.792381 
1 1 1 -13 10 18 o 205.5495 4.461002 3621.612       156.5852 3659.940       194.5921 3551.202       263.7436 206.4206 5.520395 202.7859 7.616269 3.634689       9.406504 
1 1 1 -13 10 19 o 248.2896 16.44901 5582.133       693.4788 5802.893       844.3460 5124.536       1215.634 249.8730 19.95431 219.7339 33.45288 30.13916       38.95214 
1 1 1 -13 10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10 22 o 122.8717 4.532953 1295.621       95.11194 1313.414       115.8572 1258.842       166.5672 123.5667 5.490597 120.1717 8.165247 3.394958       9.839609 
1 1 1 -13 10 23 o 104.9048 5.184011 946.4470       92.86736 926.3607       102.5748 1037.754       218.6967 103.5287 5.825686 107.5404 12.12017 -4.011711      13.44757 
1 1 1 -13 10 24 o 53.07632 7.298170 249.0030       64.39783 239.9286       70.40085 295.5088       159.3755 51.84889 8.225925 55.74134 15.94103 -3.892452      17.93829 
1 1 1 -13 10 25 o 95.10889 5.120457 782.7056       82.85699 746.5432       90.71912 964.6282       203.4759 92.71659 5.758266 102.8867 11.79416 -10.17015      13.12478 
1 1 1 -13 10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10 27 o 69.72900 7.797715 434.2074       91.26041 375.4361       105.2032 612.8962       183.4404 63.90149 9.966024 79.58534 14.00934 -15.68385      17.19254 
1 1 1 -13 10 28 o 53.63625 8.067513 261.3088       71.60439 300.5085       82.89329 146.0726       142.1256 57.30706 8.747747 40.76199 15.21028 16.54508       17.54639 
1 1 1 -13 10 29 o 126.9753 4.705225 1400.640       102.0238 1325.019       121.8162 1578.308       186.7189 122.9522 5.801853 132.1857 8.314200 -9.233459      10.13841 
1 1 1 -13 10 30 o 24.95224 9.768391 41.01215       60.48003 55.70890       65.54861 -43.14481      156.8548 27.09830 10.28248 29.86951 13.67249 -2.771208      17.10749 
1 1 1 -13 10 31 f 26.53896 10.00862 55.99300       61.86317 1.289844       67.33862 351.9226       156.6218 21.95282 9.566281 55.50327 15.77843 -33.55045      18.45190 
1 1 1 -13 10 32 o 22.92789 9.334192 28.80713       57.44738 0.7673164      64.35196 138.8428       127.4796 21.34339 9.324791 37.20293 14.28622 -15.85954      17.06012 
1 1 1 -13 10 33 o 34.54657 9.776374 120.6486       60.26982 92.73993       69.34547 206.8284       121.8572 30.74653 10.73530 42.17847 14.24752 -11.43194      17.83924 
1 1 1 -13 11 1  o 226.8454 5.078628 4408.677       196.7335 4567.711       283.0072 4259.960       273.6739 230.5083 7.189671 222.6056 7.199385 7.902710       10.17460 
1 1 1 -13 11 2  o 146.9948 4.061063 1848.818       101.9397 1927.915       161.5535 1796.490       131.4020 149.8822 6.311959 144.7906 5.314464 5.091583       8.251325 
1 1 1 -13 11 3  o 65.10831 5.929524 366.5190       65.20359 325.6914       102.3790 394.3809       84.57461 60.55527 10.26730 67.31945 7.483601 -6.764179      12.70519 
1 1 1 -13 11 4  o 77.09422 5.102901 511.3406       66.80022 507.5568       93.72844 515.2466       95.22897 76.51093 7.260712 77.08342 7.322385 -0.5724869     10.31190 
1 1 1 -13 11 5  o 83.07927 6.978179 597.0366       98.08331 467.9596       352.5905 607.8628       102.1138 72.57573 24.23670 83.79925 7.205887 -11.22352      25.28522 
1 1 1 -13 11 6  o 50.79250 8.603253 228.3288       71.95770 282.2814       90.15856 133.6508       119.4332 56.39017 9.713268 40.85871 14.09859 15.53146       17.12069 
1 1 1 -13 11 7  o 96.32431 4.554859 794.3301       74.92258 785.4240       104.0396 803.9243       107.9835 95.44536 6.420589 96.54333 6.589238 -1.097969      9.200109 
1 1 1 -13 11 8  o 162.8163 4.123574 2268.487       114.6499 2319.164       177.8808 2232.474       149.9520 164.3757 6.337082 161.3856 5.441084 2.990158       8.352485 
1 1 1 -13 11 9  o 73.10649 8.790805 467.5213       107.5453 588.7520       199.0215 417.5222       127.8129 80.62603 15.00743 68.47641 11.32624 12.14962       18.80177 
1 1 1 -13 11 10 o 167.2186 3.842388 2392.473       109.7205 2442.936       148.0204 2330.931       163.4627 168.8348 5.134022 164.8335 5.807260 4.001358       7.751287 
1 1 1 -13 11 11 o 84.53373 4.817315 614.2204       69.25243 639.2143       92.69718 582.6501       104.1810 86.03529 6.354364 81.92495 7.531138 4.110344       9.853729 
1 1 1 -13 11 12 o 62.34287 5.287598 335.6666       55.76140 302.5521       66.04205 417.8920       104.0673 58.95228 6.678010 68.95049 9.057579 -9.998207      11.25325 
1 1 1 -13 11 13 o 194.0654 4.081320 3224.418       135.2542 3293.076       169.6704 3104.736       224.0159 195.9759 5.069926 189.9488 6.906219 6.027100       8.567381 
1 1 1 -13 11 14 o 102.5613 4.371039 901.1225       76.55442 823.1041       93.81162 1056.642       132.4495 97.75257 5.643881 110.5470 7.052974 -12.79439      9.033153 
1 1 1 -13 11 15 o 111.9441 4.228185 1073.476       80.82712 1144.318       101.7542 952.3504       133.0536 115.4868 5.159626 104.8178 7.482610 10.66904       9.089070 
1 1 1 -13 11 16 f 249.9514 4.758378 5357.800       203.1030 5541.599       257.5885 5055.747       330.2155 253.8924 5.941209 241.8410 7.995870 12.05141       9.961521 
1 1 1 -13 11 17 o 50.77336 16.62565 227.2095       166.2015 310.1216       193.1050 -9.717046      326.4312 58.06883 17.79314 48.12014 21.01311 9.948692       27.53446 
1 1 1 -13 11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 11 20 o 216.9280 4.797337 4039.562       177.7124 3959.326       221.4303 4184.780       297.8938 214.4251 6.047270 219.7731 7.937523 -5.347946      9.978665 
1 1 1 -13 11 21 o 110.1621 5.062603 1042.866       95.23753 995.4696       110.1443 1183.281       189.5823 107.3203 6.034540 115.9957 9.658722 -8.675392      11.38888 
1 1 1 -13 11 22 o 36.64580 9.063445 121.9042       56.40226 88.28576       58.90477 492.5328       195.5831 31.73150 9.844601 71.99731 16.28862 -40.26580      19.03248 
1 1 1 -13 11 23 f 46.00649 7.806702 189.2908       59.13981 200.3284       63.79649 121.8566       157.6879 47.25930 8.202588 41.43388 15.89418 5.825420       17.88595 
1 1 1 -13 11 24 o 19.76742 8.460394 0.1173219      50.84925 11.48422       53.01655 -130.4459      179.6805 21.28089 8.845465 30.42965 14.17480 -9.148760      16.70830 
1 1 1 -13 11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 11 26 o 30.09979 9.611568 80.73081       55.76342 114.5403       60.65158 -104.0183      141.7798 35.11659 9.761727 26.89968 12.55083 8.216913       15.90014 
1 1 1 -13 11 27 o 78.12541 5.720430 535.3896       75.78667 481.5822       87.13050 702.6146       153.6030 73.57729 7.019806 86.98598 10.55699 -13.40869      12.67784 
1 1 1 -13 11 28 o 106.5179 4.549200 984.5518       82.74841 921.8428       91.35676 1271.047       195.2695 102.6828 5.227322 117.3011 9.839227 -14.61829      11.14160 
1 1 1 -13 11 29 f 70.82951 5.752274 444.3868       68.97433 388.6548       77.99183 644.4542       147.7696 65.60527 7.073462 81.98176 10.81953 -16.37649      12.92656 
1 1 1 -13 11 30 o 85.98063 5.327581 653.7661       77.83741 707.1179       90.33023 499.9069       153.3981 89.04179 5.975332 69.09084 13.48564 19.95096       14.75016 
1 1 1 -13 11 31 o 25.82056 9.599006 54.96455       56.50062 21.39763       62.82886 196.8661       129.1805 22.91001 9.584844 42.14131 14.65570 -19.23129      17.51168 
1 1 1 -13 11 32 o 20.66036 8.597396 18.07350       50.16667 19.55368       54.52182 9.903078       128.0957 21.42609 8.943348 28.43481 12.74819 -7.008720      15.57240 
1 1 1 -13 12 1  o 193.7998 4.951869 3218.985       163.8794 3075.808       236.2975 3351.671       227.4752 189.0189 7.320691 197.4352 6.746951 -8.416367      9.955594 
1 1 1 -13 12 2  o 41.04981 8.106820 150.2996       54.81184 156.2632       72.60388 142.3964       83.58141 41.63246 10.27489 39.99169 11.57588 1.640774       15.47819 
1 1 1 -13 12 3  o 227.5011 4.545874 4433.017       176.6049 4428.046       288.1717 4436.006       223.4933 226.7786 7.441273 227.3633 5.756283 -0.5847015     9.407834 
1 1 1 -13 12 4  o 170.0157 4.258639 2474.786       123.6408 2486.124       195.8495 2467.273       159.4265 170.0549 6.744217 169.6022 5.504619 0.4527130      8.705475 
1 1 1 -13 12 5  o 284.2035 4.988092 6922.488       242.0838 5973.871       408.0360 7437.771       300.7296 262.8723 9.089745 294.3492 5.982894 -31.47690      10.88203 
1 1 1 -13 12 6  o 188.9743 5.046041 3060.989       162.8379 2415.222       491.0973 3140.758       172.6025 163.4151 17.89070 191.3854 5.281245 -27.97034      18.65392 
1 1 1 -13 12 7  o 93.76186 7.002792 760.4401       111.3149 742.8960       224.4278 766.1644       128.1949 90.62737 15.02810 93.91855 8.071568 -3.291183      17.05854 
1 1 1 -13 12 8  o 96.77905 4.787473 802.6163       79.12060 789.3634       102.3536 822.2939       124.7190 95.64653 6.301908 97.41114 7.556736 -1.764610      9.839629 
1 1 1 -13 12 9  o 74.83387 4.805362 481.9116       61.08353 474.1000       84.36095 490.5206       88.56242 73.93988 6.755940 75.18233 6.977685 -1.242447      9.712405 
1 1 1 -13 12 10 o 77.61556 4.367373 517.6393       57.65040 554.4108       77.50230 472.0893       86.25880 80.16199 5.698792 73.74174 6.931302 6.420250       8.973248 
1 1 1 -13 12 11 o 107.0543 3.858435 981.0709       70.53701 979.4708       90.83333 983.5016       111.9545 106.8756 4.976968 106.7989 6.164861 0.7662964E-01  7.923113 
1 1 1 -13 12 12 o 63.69662 5.162945 350.3477       55.67537 363.4829       66.83015 320.5525       100.6531 64.74483 6.117047 59.92140 10.20212 4.823425       11.89544 
1 1 1 -13 12 13 o 157.6212 4.336308 2128.811       116.7177 2358.108       150.2910 1780.351       185.2718 165.7469 5.309894 143.4289 7.591362 22.31801       9.264111 
1 1 1 -13 12 14 o 144.5774 4.224585 1791.011       104.3005 1860.114       131.1230 1671.965       172.1037 147.2047 5.216212 139.0274 7.274448 8.177322       8.951339 
1 1 1 -13 12 15 o 42.24309 15.21513 138.3876       140.2095 150.4326       186.9104 122.8877       212.0288 46.07139 17.39169 46.01905 18.20413 0.5234528E-01  25.17660 
1 1 1 -13 12 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 12 18 o 140.2874 4.754495 1689.096       113.9004 1796.340       143.3667 1505.563       187.5506 144.4888 5.810482 131.4763 8.397348 13.01244       10.21162 
1 1 1 -13 12 19 o 63.09681 5.954103 345.8434       63.39580 392.4229       76.34806 242.4157       113.7678 67.09198 6.755755 51.26595 12.98196 15.82603       14.63460 
1 1 1 -13 12 20 o 163.7945 5.332342 2308.292       149.1487 2254.322       176.8827 2441.068       277.4397 161.5948 6.409971 166.6767 9.790453 -5.081894      11.70217 
1 1 1 -13 12 21 o 62.26020 6.066516 337.8736       63.67944 294.3385       68.91003 592.4268       166.6295 57.83637 7.128014 80.51834 12.52584 -22.68197      14.41198 
1 1 1 -13 12 22 o 162.7599 4.480697 2279.109       124.5360 2276.469       144.5198 2286.725       245.4497 162.4495 5.209630 160.9870 8.963863 1.462494       10.36779 
1 1 1 -13 12 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 12 25 o 87.39854 4.545393 662.0454       67.60461 611.6459       74.34218 902.8975       162.5164 83.79669 5.221198 99.67068 9.670016 -15.87399      10.98955 
1 1 1 -13 12 26 o 40.69501 8.139693 152.5806       54.58959 131.5289       59.38487 267.3653       138.6676 37.42104 9.326376 51.21510 14.93508 -13.79406      17.60789 
1 1 1 -13 12 27 o 94.33630 4.322250 771.2685       69.62909 727.5054       77.10440 964.7015       162.1029 91.27879 4.965282 102.4003 9.374190 -11.12152      10.60799 
1 1 1 -13 12 28 o 27.32308 8.294889 68.96523       42.09888 54.79885       43.62661 260.6739       160.4881 25.08640 8.524652 48.60994 16.35099 -23.52354      18.43976 
1 1 1 -13 12 29 o 47.25762 6.171975 201.8298       48.61822 211.3824       50.87113 101.0906       165.2000 48.31746 6.316673 36.71549 15.46151 11.60197       16.70205 
1 1 1 -13 12 30 o 51.05804 5.745869 234.3903       49.22763 236.5482       51.55052 212.0514       165.8613 51.17572 6.013489 43.07200 16.35339 8.103722       17.42399 
1 1 1 -13 12 31 o 23.48320 8.546355 46.56599       44.40014 62.22449       47.21659 -73.06416      130.5088 25.96686 8.868243 25.05050 11.80011 0.9163647      14.76104 
1 1 1 -13 13 1  o 73.11240 15.66700 492.5119       189.7204 829.2466       457.0238 422.4021       208.5376 91.45349 27.23354 67.27254 17.85571 24.18095       32.56520 
1 1 1 -13 13 2  o 252.7353 15.91343 5714.547       683.2950 5676.050       1206.980 5732.704       828.9165 238.3730 30.33867 250.2766 19.55014 -11.90363      36.09215 
1 1 1 -13 13 3  o 115.6067 5.019229 1146.157       99.08821 1025.908       139.1468 1269.873       141.1382 108.8240 7.534019 121.2701 6.843318 -12.44604      10.17804 
1 1 1 -13 13 4  f 237.5782 4.655663 4837.592       188.8817 4415.995       310.6523 5084.860       237.9090 226.1430 8.044323 243.3389 5.725288 -17.19588      9.873705 
1 1 1 -13 13 5  o 38.70413 11.77225 131.9261       84.73611 -90.16849      379.2804 143.5940       86.93346 49.42577 22.06329 40.17012 11.85720 9.255650       25.04759 
1 1 1 -13 13 6  o 106.8369 5.308197 979.4478       96.84340 1022.827       125.5073 915.6145       152.2482 108.7991 6.789151 102.4945 8.783464 6.304573       11.10143 
1 1 1 -13 13 7  o 70.44322 5.041859 427.7802       60.24913 348.6247       77.31665 550.1580       96.13543 63.18829 7.299638 79.59335 7.149271 -16.40505      10.21748 
1 1 1 -13 13 8  o 75.15229 7.160939 491.0490       90.78812 591.1869       209.5066 467.8969       100.7381 80.12972 15.87227 73.13490 8.207841 6.994827       17.86890 
1 1 1 -13 13 9  f 201.9081 4.375512 3493.287       150.8636 3445.216       192.1338 3570.577       243.6264 200.2821 5.617716 203.5607 7.008554 -3.278641      8.982124 
1 1 1 -13 13 10 o 124.1205 10.72610 1353.735       225.1119 1288.904       321.6503 1415.976       315.1615 118.9552 16.26009 125.3145 15.02724 -6.359299      22.14065 
1 1 1 -13 13 11 o 131.7800 10.36970 1522.921       231.4699 1452.111       322.5297 1598.127       332.3887 126.7747 15.20139 133.2226 14.86394 -6.447929      21.26074 
1 1 1 -13 13 12 o 126.3819 17.00037 1464.077       357.5916 1904.723       481.3853 921.5557       534.1410 142.4388 20.37097 94.54386 29.69648 47.89489       36.01190 
1 1 1 -13 13 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 13 15 o 140.6376 4.644249 1696.745       111.5370 1765.685       140.7681 1580.457       182.8261 143.2868 5.753021 134.8927 7.972253 8.394089       9.831280 
1 1 1 -13 13 16 o 33.85289 9.853057 102.1257       60.40516 148.3701       69.26186 -44.80277      123.4575 40.43039 10.06979 28.10811 12.56456 12.32228       16.10183 
1 1 1 -13 13 17 o 85.45646 5.174467 629.8676       75.15543 493.3987       93.27231 882.4815       126.9009 75.17640 7.359969 100.7237 7.430333 -25.54733      10.45844 
1 1 1 -13 13 18 o 117.3932 5.004467 1184.658       100.3235 1128.633       119.5417 1318.109       184.4959 114.2270 6.151092 122.6494 8.868644 -8.422348      10.79300 
1 1 1 -13 13 19 o 50.38255 7.732858 225.5543       64.40536 238.5292       70.03899 154.4953       163.9067 51.72252 8.203542 44.34275 16.37605 7.379765       18.31593 
1 1 1 -13 13 20 o 79.81696 6.128833 554.5019       82.89848 536.1900       90.87776 645.2570       202.3144 78.29031 6.866844 82.67438 14.87732 -4.384071      16.38561 
1 1 1 -13 13 21 o 135.3155 4.861441 1579.354       112.3348 1527.397       132.5994 1711.449       211.4282 132.7713 5.848375 138.9302 8.959538 -6.158905      10.69938 
1 1 1 -13 13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 13 23 o 112.1823 5.484122 1092.494       105.0590 879.9760       127.8026 1535.395       184.4993 99.68771 7.563897 131.3976 8.264635 -31.70994      11.20343 
1 1 1 -13 13 24 o 27.51694 8.097038 68.73068       40.59504 59.52758       42.46615 166.3158       138.2826 26.04215 8.395249 42.40051 15.12724 -16.35836      17.30068 
1 1 1 -13 13 25 o 18.57704 7.532787 14.51312       37.23682 25.91203       38.79494 -118.9045      132.7242 20.38987 7.867476 24.97308 11.80509 -4.583212      14.18652 
1 1 1 -13 13 26 o 38.16333 7.000706 133.0856       43.94233 153.6875       46.44524 -42.75408      135.6897 41.12974 6.853979 28.15659 12.82223 12.97315       14.53914 
1 1 1 -13 13 27 o 47.33337 7.043153 204.4760       55.19474 167.6357       60.24785 396.8716       137.6820 42.10009 8.668999 62.00433 13.39467 -19.90424      15.95521 
1 1 1 -13 13 28 o 18.90045 7.863235 12.06927       41.95088 9.529962       43.49233 45.99969       158.9827 18.88854 7.942670 33.36858 14.61548 -14.48004      16.63425 
1 1 1 -13 13 29 o 31.64888 13.17806 68.60236       117.9671 87.48568       174.9686 52.86468       159.7319 35.82459 15.51598 33.32645 14.62211 2.498135       21.32022 
1 1 1 -13 13 30 o 65.26060 10.72597 431.6794       115.3796 438.8746       188.0419 427.3347       146.1187 57.58346 17.54185 61.28142 14.23499 -3.697960      22.59096 
1 1 1 -13 14 1  o 78.95516 5.598931 538.0572       75.00014 515.9144       106.5979 559.7636       105.5424 76.81547 8.255968 80.14191 7.811267 -3.326447      11.36560 
1 1 1 -13 14 2  o 150.5105 9.282024 1972.341       237.4035 0.000000       0.000000 1972.341       237.4035 ?        ?        150.5105 9.282024 0.000000       9.282024 
1 1 1 -13 14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 14 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 14 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 14 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 14 10 f 69.59544 6.481382 420.6238       76.14256 411.6515       86.15951 452.6201       162.7050 68.65265 7.469816 70.27353 14.04943 -1.620880      15.91177 
1 1 1 -13 14 11 o 129.7924 4.414747 1444.318       97.84913 1502.262       138.2575 1386.169       138.5020 132.1184 6.128065 126.7035 6.422250 5.414940       8.876851 
1 1 1 -13 14 12 o 248.7388 4.544862 5306.931       193.0484 5368.057       271.7899 5244.692       274.2499 249.6170 6.376133 246.6852 6.510307 2.931763       9.112584 
1 1 1 -13 14 13 o 93.36875 5.318533 751.5634       84.44892 726.0607       101.5547 808.7255       152.0413 91.53986 6.539681 95.92264 9.402830 -4.382774      11.45341 
1 1 1 -13 14 14 f 159.2820 4.847394 2178.404       131.8490 2369.503       163.9987 1829.127       221.7150 165.9244 5.787993 144.7006 9.017535 21.22388       10.71526 
1 1 1 -13 14 15 o 158.5171 4.729217 2157.934       128.0169 2166.781       161.5479 2143.002       209.8806 158.5712 5.965885 157.1832 7.819237 1.388077       9.835256 
1 1 1 -13 14 16 o 162.4348 4.889841 2268.459       135.6362 2249.658       166.0737 2306.124       235.0593 161.4730 6.022807 162.4416 8.503368 -0.9685974     10.42024 
1 1 1 -13 14 17 o 20.98758 8.817134 6.884902       53.51567 39.96225       57.65587 -198.9302      143.8192 25.21837 9.625750 24.41089 11.74267 0.8074837      15.18372 
1 1 1 -13 14 18 o 83.25986 5.820587 602.2469       82.23628 563.7440       93.79040 730.2751       171.0268 80.25664 6.910849 89.69228 11.42571 -9.435646      13.35315 
1 1 1 -13 14 19 o 20.41229 8.876005 -6.691082      57.71437 -22.77492      62.52159 85.99823       150.0894 20.01934 8.945622 38.01476 15.22504 -17.99542      17.65860 
1 1 1 -13 14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 14 21 o 83.30743 5.678953 605.5246       80.30753 588.5374       88.18590 688.0551       194.3775 81.90492 6.354782 84.67188 13.92766 -2.766953      15.30891 
1 1 1 -13 14 22 o 92.24573 5.394184 741.9663       84.60158 744.2894       94.03772 732.1024       193.7737 92.16184 6.008008 87.18602 13.44753 4.975822       14.72862 
1 1 1 -13 14 23 o 70.38617 5.171176 433.0890       61.72020 436.6830       65.80504 406.8066       177.9512 70.57130 5.503975 62.19617 16.48771 8.375126       17.38212 
1 1 1 -13 14 24 o 25.18886 7.880259 56.80608       37.65428 55.26970       38.70191 84.03782       162.9377 24.97968 8.010537 37.22115 15.49199 -12.24147      17.44048 
1 1 1 -13 14 25 o 36.82098 7.913525 126.5194       48.27712 147.9923       50.46898 -104.7081      165.6149 39.98472 7.670453 28.46512 13.37229 11.51961       15.41603 
1 1 1 -13 14 26 o 38.91080 14.60487 148.8607       131.4130 128.2791       218.1067 160.5907       164.6560 40.55666 17.44437 40.60543 16.04860 -0.4876328E-01 23.70366 
1 1 1 -13 14 27 f 36.48944 13.91243 128.3420       120.3593 -40.12196      178.3603 269.1953       163.0903 30.93312 14.31029 47.78124 16.47577 -16.84812      21.82282 
1 1 1 -13 14 28 o 27.65915 12.18109 15.21778       111.7722 371.2093       216.1833 -114.6632      130.5795 52.00727 18.86872 23.81997 11.38677 28.18730       22.03831 
1 1 1 -13 14 29 o 41.57631 13.53528 196.2627       110.2164 323.2356       182.3927 123.2294       138.3288 48.89615 17.38080 35.46201 14.46599 13.43414       22.61321 
1 1 1 -13 15 1  o 103.6276 5.013713 922.2319       88.72312 687.8423       139.5498 1081.257       114.9457 88.39215 9.388885 111.9030 6.037534 -23.51081      11.16257 
1 1 1 -13 15 2  o 218.0795 8.724885 4129.730       324.9200 0.000000       0.000000 4129.730       324.9200 ?        ?        218.0795 8.724885 0.000000       8.724885 
1 1 1 -13 15 3  o 30.19673 10.12330 75.19814       61.51546 50.81055       78.45240 114.1272       99.11945 29.09563 11.19881 37.35487 12.84638 -8.259243      17.04239 
1 1 1 -13 15 4  o 193.6508 4.689217 3217.228       155.0678 3084.935       253.9836 3295.848       195.7967 188.8110 7.877283 195.7419 5.857599 -6.930939      9.816468 
1 1 1 -13 15 5  o 80.82564 5.670713 564.3922       77.77328 501.3572       115.4744 616.7249       105.2160 75.42145 9.153352 84.17644 7.394598 -8.754990      11.76707 
1 1 1 -13 15 6  o 151.7735 5.318685 1979.032       137.8485 1848.395       188.0398 2130.797       202.6764 146.0297 7.566560 156.9918 7.560044 -10.96204      10.69613 
1 1 1 -13 15 7  o 138.8142 4.711321 1653.423       111.6808 1563.743       169.9590 1721.571       148.1572 134.3060 7.439529 141.4039 6.135635 -7.097870      9.643268 
1 1 1 -13 15 8  o 21.21975 9.175694 -6.246577      60.99253 -29.16139      76.37504 34.09550       101.3380 22.18086 9.901081 30.32605 12.37749 -8.145182      15.85035 
1 1 1 -13 15 9  o 155.8453 4.385296 2083.137       116.7064 2116.224       174.7980 2056.525       156.7659 156.6486 6.534437 154.5567 5.939663 2.091904       8.830542 
1 1 1 -13 15 10 o 33.04575 12.13192 79.36282       89.75089 219.1159       357.4501 69.95933       92.72124 58.25375 23.43746 32.40969 12.24581 25.84406       26.44380 
1 1 1 -13 15 11 o 102.1044 5.299958 899.0252       92.09215 937.0475       114.5608 829.5762       154.8280 103.9959 6.483133 97.01353 9.466392 6.982407       11.47360 
1 1 1 -13 15 12 o 101.6537 4.925054 888.2878       85.49407 990.4276       120.7562 785.6365       121.0582 106.8446 6.651417 94.88934 7.532886 11.95524       10.04916 
1 1 1 -13 15 13 o 66.08823 5.867538 379.6569       65.53020 429.2031       80.79291 284.3886       112.0321 70.08938 6.837309 55.49795 12.15750 14.59143       13.94825 
1 1 1 -13 15 14 o 45.74695 8.000833 187.4618       60.22663 172.2317       69.78123 231.9348       119.2439 43.43879 9.657293 49.76991 13.62980 -6.331120      16.70434 
1 1 1 -13 15 15 o 36.41060 9.526683 121.2292       59.91705 128.5871       64.03413 69.46680       169.8408 37.46299 9.871026 38.82067 15.95466 -1.357677      18.76135 
1 1 1 -13 15 16 o 87.96033 6.324322 674.8138       94.36137 733.2783       106.2008 455.5837       205.6514 91.54910 6.842632 67.58303 17.63340 23.96606       18.91450 
1 1 1 -13 15 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 15 19 o 143.9033 4.933151 1791.734       121.2264 1853.174       146.4703 1658.123       215.9966 145.9473 5.876946 135.8460 9.368299 10.10129       11.05909 
1 1 1 -13 15 20 o 43.88786 8.392232 176.6468       60.60385 221.0185       66.75906 -31.23653      144.4998 49.27851 8.223018 30.19964 13.53961 19.07887       15.84106 
1 1 1 -13 15 21 o 68.21564 6.109844 410.5159       70.41909 421.7530       79.51209 369.6432       151.6436 68.87006 6.851803 60.33432 14.82456 8.535740       16.33141 
1 1 1 -13 15 22 o 55.23544 6.934017 273.7515       63.96260 321.7610       71.60984 84.29746       142.2528 59.85869 7.146885 35.98448 14.67337 23.87421       16.32132 
1 1 1 -13 15 23 o 46.22152 6.749055 193.1572       51.70037 142.6640       55.66393 510.3159       139.5068 38.95482 8.597997 72.50254 11.66330 -33.54772      14.48993 
1 1 1 -13 15 24 o 50.74457 12.93255 265.9783       112.3944 656.9651       186.5674 43.24299       140.8151 79.27880 14.30732 32.48008 13.99352 46.79872       20.01295 
1 1 1 -13 15 25 o 22.51430 10.57037 -74.61549      103.2195 -75.74934      175.8659 -74.01965      127.4874 29.67259 13.88836 25.32578 11.84459 4.346815       18.25324 
1 1 1 -13 15 26 o 36.59085 14.38066 127.1133       131.5155 308.1151       220.7060 27.45754       163.7661 48.74787 18.77768 32.51520 14.50738 16.23267       23.72900 
1 1 1 -13 15 27 o 34.36626 13.69691 110.2992       120.8673 107.2339       181.4035 112.7465       162.0872 36.42661 15.78771 36.02608 15.25081 0.4005318      21.95084 
1 1 1 -13 16 1  o 136.9787 4.547719 1613.286       106.3772 1590.121       175.9807 1626.624       133.5359 134.9240 7.669569 137.2722 5.696571 -2.348206      9.553701 
1 1 1 -13 16 2  o 137.5219 4.538581 1625.647       106.5844 1668.247       175.4449 1600.728       134.1846 138.3404 7.454102 136.1838 5.769991 2.156616       9.426369 
1 1 1 -13 16 3  o 65.01092 6.279126 368.6436       68.84113 346.2624       94.67450 393.7531       100.2792 62.24107 9.183347 66.48215 9.069553 -4.241074      12.90700 
1 1 1 -13 16 4  o 112.6738 4.573642 1091.053       88.00092 1006.407       134.3927 1154.589       116.4344 107.4201 7.370948 115.5083 5.922832 -8.088150      9.455729 
1 1 1 -13 16 5  o 116.8198 4.678908 1173.142       93.33897 1121.026       147.2267 1208.167       120.6946 113.3121 7.653530 118.1465 6.001972 -4.834473      9.726263 
1 1 1 -13 16 6  o 277.2499 5.296812 6620.814       250.7771 6479.444       424.8603 6696.404       310.6696 271.9367 9.149058 278.1941 6.539567 -6.257416      11.24594 
1 1 1 -13 16 7  o 61.95332 6.361830 335.2839       66.34962 338.1447       86.44323 331.1819       103.5116 61.70788 8.423323 60.47749 10.39772 1.230392       13.38152 
1 1 1 -13 16 8  o 149.3948 5.151352 1922.235       131.4191 1985.232       165.0379 1813.068       217.2553 151.4745 6.380319 143.6112 8.902791 7.863235       10.95300 
1 1 1 -13 16 9  o 156.4506 4.265304 2102.906       113.9539 2057.961       168.6615 2140.654       154.5694 154.1723 6.406305 157.4516 5.748763 -3.279282      8.607498 
1 1 1 -13 16 10 o 21.22602 8.934497 6.700439       55.12154 25.95655       67.47365 -31.93596      95.57585 25.03340 10.14374 24.80118 11.07296 0.2322197      15.01686 
1 1 1 -13 16 11 o 36.21336 14.07487 85.69338       124.8655 -0.5232589     339.8037 99.15256       134.2585 47.33175 21.02138 37.96921 14.63998 9.362534       25.61693 
1 1 1 -13 16 12 o 73.05432 6.169827 465.8725       76.24989 447.7622       88.93674 516.1154       148.1345 71.26424 7.416818 74.81388 12.00071 -3.549644      14.10767 
1 1 1 -13 16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 16 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 16 15 o 83.75388 6.371538 614.2333       90.44440 592.7447       106.3175 670.5152       172.0619 81.80128 7.701692 84.87167 12.22453 -3.070389      14.44837 
1 1 1 -13 16 16 o 56.58329 7.445007 285.8101       70.19092 204.8327       79.46415 573.2875       149.7239 46.87459 10.21585 78.56396 11.50058 -31.68937      15.38268 
1 1 1 -13 16 17 o 33.66256 11.36640 100.0398       77.55625 71.22496       86.85440 213.4167       172.2842 31.22341 11.83896 47.33460 16.88519 -16.11119      20.62209 
1 1 1 -13 16 18 o 81.68803 6.404450 588.0274       88.62345 584.2657       100.9468 600.6743       185.0939 81.01930 7.377111 78.01115 14.42554 3.008148       16.20241 
1 1 1 -13 16 19 o 23.16045 9.606651 18.29044       62.34736 74.58578       70.27905 -189.7334      135.0972 30.02152 10.77641 22.99725 11.14048 7.024269       15.49972 
1 1 1 -13 16 20 o 48.54236 8.522021 217.6771       68.06535 293.3785       77.88293 -27.09008      140.0447 56.62211 8.301315 29.50011 13.26947 27.12201       15.65218 
1 1 1 -13 16 21 o 80.10529 5.475181 564.8120       74.44773 604.2689       85.09982 436.1348       153.6801 82.58578 6.076913 65.00213 14.23874 17.58366       15.48130 
1 1 1 -13 16 22 o 24.89259 8.671987 52.96202       45.23877 30.26324       48.12084 225.6093       132.7125 22.12681 8.697912 45.87808 14.84654 -23.75126      17.20679 
1 1 1 -13 16 23 o 34.94027 7.715816 114.9391       44.80747 102.6571       46.58780 266.4856       163.6477 32.81888 8.305671 48.04870 16.50755 -15.22982      18.47927 
1 1 1 -13 16 24 o 49.91211 13.04648 265.1455       112.4428 382.0920       188.0646 200.0803       140.2774 55.48849 17.64401 42.58708 15.23147 12.90142       23.30899 
1 1 1 -13 16 25 o 56.29873 12.93553 340.3567       121.7487 -4.043492      228.1932 477.4048       143.9487 34.47349 16.03032 66.87736 13.07310 -32.40387      20.68519 
1 1 1 -13 16 26 o 76.12598 9.595129 568.2360       121.9633 559.3071       199.6172 573.5546       154.0638 65.87683 17.46220 73.03741 12.82010 -7.160583      21.66295 
1 1 1 -13 17 1  o 84.26949 5.292476 616.2626       75.77397 511.6356       122.1605 681.6916       96.60381 75.28802 9.729351 88.31105 6.450481 -13.02303      11.67343 
1 1 1 -13 17 2  o 85.14143 5.063370 628.0513       73.28584 590.5324       110.5111 657.5034       97.91248 81.65647 8.029067 86.66986 6.666720 -5.013390      10.43605 
1 1 1 -13 17 3  o 67.44652 6.156003 397.9021       70.12092 392.7450       97.73402 403.3728       100.6627 66.17402 8.872219 67.02263 9.024592 -0.8486099     12.65542 
1 1 1 -13 17 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 17 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 17 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 17 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 17 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 17 9  o 23.57207 9.324121 29.37734       55.62249 4.979399       73.82333 61.41603       84.59689 23.97931 10.22672 30.31989 11.63911 -6.340582      15.49370 
1 1 1 -13 17 10 o 51.23991 9.294049 239.8431       78.32849 264.2520       93.05706 180.5161       145.0780 53.39073 10.58060 44.59830 15.53015 8.792431       18.79188 
1 1 1 -13 17 11 o 75.19118 5.811837 493.7325       74.04527 522.8230       93.17568 443.8749       121.9810 76.95016 7.173415 69.49381 10.61565 7.456352       12.81210 
1 1 1 -13 17 12 o 59.65182 10.19739 328.1155       100.1439 68.50243       209.4709 405.0332       114.0180 40.71193 17.29140 66.32059 10.41036 -25.60865      20.18336 
1 1 1 -13 17 13 o 52.47310 8.668763 250.7238       74.96506 262.6817       87.19453 216.8378       146.7821 53.24899 9.955068 47.27347 15.63121 5.975521       18.53208 
1 1 1 -13 17 14 o 92.75657 5.123335 748.4446       80.83740 639.8132       100.0488 952.7206       137.1963 85.07247 6.947500 103.4713 7.822411 -18.39879      10.46221 
1 1 1 -13 17 15 o 35.90256 8.884931 120.0242       54.17797 108.3845       57.27157 219.1176       167.1056 34.10152 9.488056 47.26844 16.65418 -13.16692      19.16729 
1 1 1 -13 17 16 o 79.95913 5.260118 558.6243       71.42238 488.9580       80.68969 810.7246       153.4948 74.36741 6.416624 94.02251 9.699348 -19.65511      11.62972 
1 1 1 -13 17 17 o 56.22826 7.255835 284.6423       68.04428 343.7054       77.19455 78.87202       144.0854 61.77311 7.469615 35.80150 14.70236 25.97160       16.49104 
1 1 1 -13 17 18 o 69.41331 6.460301 428.9785       75.69765 415.1750       83.99947 488.6382       174.6321 67.86720 7.366209 68.28554 15.34930 -0.4183426     17.02534 
1 1 1 -13 17 19 o 63.70011 6.691529 364.2851       71.70149 383.6406       82.59709 305.0954       144.4396 64.94562 7.590749 53.28465 15.15400 11.66096       16.94884 
1 1 1 -13 17 20 o 36.99931 9.191781 131.6646       57.81675 134.7762       64.06194 117.9991       134.2509 37.20508 9.906807 36.80847 14.50926 0.3966103      17.56882 
1 1 1 -13 17 21 o 57.54078 7.108475 302.4248       68.36295 281.3515       74.74036 410.3398       169.1333 54.88424 8.228127 59.84714 16.16757 -4.962898      18.14091 
1 1 1 -13 17 22 o 20.83412 8.617563 17.96141       49.96842 -19.65525      53.99624 242.2544       131.8503 18.14854 8.194303 46.53626 14.77100 -28.38772      16.89169 
1 1 1 -13 17 23 o 43.12963 13.56209 205.1999       111.3692 337.1860       189.2403 135.2674       137.7493 50.94267 17.73719 36.99250 14.66041 13.95017       23.01164 
1 1 1 -13 17 24 o 27.43949 12.51921 -14.47889      130.1243 -139.8729      223.3368 49.96440       160.1071 30.03991 14.49640 32.50589 14.43351 -2.465984      20.45659 
1 1 1 -13 18 1  o 77.58304 5.625876 526.1348       74.02820 544.8527       115.5839 513.1165       96.39314 77.66130 8.874836 75.92161 7.534470 1.739693       11.64178 
1 1 1 -13 18 2  o 27.83188 9.948117 61.98605       59.83046 37.88092       88.46009 82.31079       81.22787 28.39321 11.57369 31.91021 11.56775 -3.516993      16.36347 
1 1 1 -13 18 3  o 94.67562 4.863841 777.7636       78.37012 802.3135       127.0121 762.6707       99.58836 94.94082 7.905993 93.25124 6.290686 1.689583       10.10334 
1 1 1 -13 18 4  f 13.96367 6.702652 -64.62104      46.28416 -31.81351      61.20122 -108.4545      70.74181 19.02605 8.643793 16.72883 8.093609 2.297222       11.84152 
1 1 1 -13 18 5  o 68.17377 5.734989 407.0630       66.14521 387.5802       102.6549 420.8944       86.49434 65.11817 9.512153 68.73723 7.489984 -3.619057      12.10706 
1 1 1 -13 18 6  f 30.92182 9.847775 85.66720       58.56775 91.13324       81.09361 79.70740       84.67716 32.85822 11.59903 31.89738 11.77235 0.9608364      16.52652 
1 1 1 -13 18 7  f 50.86719 7.182911 231.6993       60.65756 204.1084       88.53441 256.1082       83.27267 46.31405 11.29547 52.64223 9.617723 -6.328178      14.83537 
1 1 1 -13 18 8  o 43.53392 8.248698 173.3954       59.07714 66.72137       78.91118 309.4285       89.11101 30.04304 11.30940 58.08857 9.296890 -28.04553      14.64017 
1 1 1 -13 18 9  f 58.41344 6.875240 303.6118       67.26797 367.6227       85.58842 200.1809       108.7962 63.91434 8.018260 45.34539 13.23060 18.56895       15.47066 
1 1 1 -13 18 10 o 65.82088 6.253311 382.3186       69.44288 417.0669       93.88697 340.3476       103.1842 67.98852 8.256028 60.39875 10.37823 7.589767       13.26158 
1 1 1 -13 18 11 o 41.23336 7.908109 155.6955       53.65723 125.4571       62.13750 244.3531       106.3978 36.53836 9.769718 50.04293 12.49005 -13.50457      15.85713 
1 1 1 -13 18 12 o 22.49607 9.213534 20.42393       56.39542 1.284740       60.26098 155.4107       160.0368 21.30241 9.166074 42.08501 16.04334 -20.78261      18.47716 
1 1 1 -13 18 13 o 73.25637 9.666774 496.4309       117.9748 703.1879       294.0255 456.7572       128.7973 76.67464 21.55672 69.30360 11.27028 7.371048       24.32512 
1 1 1 -13 18 14 o 34.68491 9.117387 113.4384       54.71371 111.3335       59.75535 124.3566       136.0954 34.31190 9.743151 38.30439 14.74805 -3.992493      17.67580 
1 1 1 -13 18 15 o 45.87563 7.442737 192.3514       56.30843 146.5562       61.75655 418.0866       137.1111 39.25634 9.346695 64.73595 12.85629 -25.47961      15.89480 
1 1 1 -13 18 16 o 39.50539 8.268271 146.3027       53.98898 173.7244       57.21578 -76.44276      163.0697 43.22731 8.047090 29.17791 13.56231 14.04940       15.76996 
1 1 1 -13 18 17 o 32.12202 9.639177 98.51679       57.09245 117.1717       63.59689 21.05759       129.5911 34.76697 10.10741 30.33708 13.24392 4.429890       16.66017 
1 1 1 -13 18 18 o 27.88395 10.34824 64.33399       65.60916 37.65734       71.97964 195.3441       159.5131 25.71804 10.45675 42.82234 16.08730 -17.10430      19.18710 
1 1 1 -13 18 19 o 24.14605 9.599314 36.92715       59.22912 26.24354       66.42715 78.36439       130.8223 23.94866 9.923336 33.50260 13.90764 -9.553944      17.08493 
1 1 1 -13 18 20 o 34.03487 10.08940 114.5661       62.83337 116.3358       71.21965 108.3510       133.4649 34.19541 10.85620 35.30711 14.28051 -1.111706      17.93851 
1 1 1 -13 18 21 o 23.16779 9.391845 31.52699       57.86842 40.89377       64.53322 -6.923236      130.7487 24.86590 9.974672 28.06878 12.70514 -3.202887      16.15285 
1 1 1 -13 18 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 19 1  o 31.00377 10.05923 88.01525       60.89459 32.55968       89.50370 135.8073       83.08949 27.64537 11.49215 37.55524 11.69890 -9.909870      16.39920 
1 1 1 -13 19 2  o 65.61238 6.009040 381.0101       66.57970 398.3955       108.1893 370.4124       84.46895 65.16356 10.04532 63.87936 7.912790 1.284199       12.78752 
1 1 1 -13 19 3  o 25.95009 9.785933 49.28545       59.13858 -3.057837      87.82876 92.70133       79.98905 24.89765 10.88525 32.54300 11.51632 -7.645348      15.84658 
1 1 1 -13 19 4  o 29.61939 9.970533 77.82214       59.67530 184.8292       86.87376 -17.78151      82.11444 43.53256 11.51046 23.14839 10.30451 20.38417       15.44907 
1 1 1 -13 19 5  o 25.31791 9.428017 48.00255       54.55089 99.35229       83.12787 9.164383       72.29477 33.44545 11.74952 23.69920 10.11409 9.746252       15.50310 
1 1 1 -13 19 6  o 72.01828 5.602561 456.3195       68.35965 498.3557       105.8499 426.2426       89.53550 73.89640 8.545783 68.66489 7.772766 5.231506       11.55190 
1 1 1 -13 19 7  o 26.43998 9.703211 54.86187       57.40556 -2.571934      78.85310 119.6259       83.73399 23.69939 10.33895 35.70390 11.80614 -12.00451      15.69327 
1 1 1 -13 19 8  o 53.79811 7.359169 262.1215       65.83517 183.9272       84.25614 384.7024       105.4935 43.41150 11.26747 63.99324 9.979127 -20.58174      15.05121 
1 1 1 -13 19 9  o 29.67649 11.87263 56.00069       91.16117 407.4279       211.2601 -24.40817      101.0536 59.41238 18.67843 25.17530 11.30234 34.23708       21.83178 
1 1 1 -13 19 10 o 111.5129 4.438389 1080.096       84.51865 1094.279       116.3577 1064.255       122.9712 111.2250 6.150081 109.3881 6.614216 1.836815       9.031686 
1 1 1 -13 19 11 o 19.17047 8.585296 -17.97911      57.92744 -62.81412      70.44132 75.67673       101.8090 18.55370 8.717705 32.03503 12.63275 -13.48134      15.34877 
1 1 1 -13 19 12 o 38.48710 9.639812 142.7097       63.21935 82.90420       82.61922 227.1927       98.19639 31.28927 11.61238 47.49339 12.07956 -16.20412      16.75599 
1 1 1 -13 19 13 o 67.40893 6.881245 410.0055       78.10048 362.4448       99.86615 484.8990       125.3189 61.69335 9.807597 70.88091 10.68536 -9.187553      14.50399 
1 1 1 -13 19 14 o 37.04929 11.55907 136.3172       81.07990 184.2206       90.52535 -57.96756      182.3084 42.57556 11.95815 31.08498 14.41126 11.49058       18.72650 
1 1 1 -13 19 15 o 39.81031 10.09120 155.6904       68.69361 178.0737       87.59798 119.9419       110.7036 41.84565 11.76676 35.80998 13.41187 6.035671       17.84194 
1 1 1 -13 19 16 o 18.94846 8.884313 -58.26593      72.50246 -77.26511      82.44508 6.560908       152.2912 19.55634 9.262318 31.05410 13.91288 -11.49776      16.71403 
1 1 1 -13 19 17 o 43.49171 9.950483 187.0797       72.30000 115.0719       86.24364 357.3470       132.6181 34.20346 11.97038 57.44679 13.70942 -23.24333      18.19995 
1 1 1 -13 19 18 o 58.60667 8.208375 324.2677       79.89604 350.1264       91.11769 238.2536       166.1820 60.27619 9.138873 44.43943 16.47389 15.83676       18.83900 
1 1 1 -13 19 19 o 84.27965 5.911775 639.2542       84.54446 632.5024       101.5911 654.4639       152.4779 82.77296 7.260645 79.99223 11.49244 2.780731       13.59386 
1 1 1 -13 20 1  o 55.45282 8.153595 284.7906       74.90493 314.2622       126.9306 269.0432       92.78314 54.80240 13.62217 52.45516 10.72008 2.347240       17.33446 
1 1 1 -13 20 2  o 65.09554 7.174731 384.1149       78.43044 384.3303       128.7995 383.9879       98.87594 61.60601 12.66614 63.85374 9.344342 -2.247730      15.74001 
1 1 1 -13 20 3  o 77.02940 5.821601 526.2073       76.01206 604.5280       117.3422 469.5807       99.77609 80.86887 8.630414 71.36656 8.344649 9.502304       12.00488 
1 1 1 -13 20 4  o 56.82276 7.054851 292.9159       66.98316 399.9242       102.4679 213.0681       88.51374 65.10509 9.496103 46.30247 11.29508 18.80262       14.75651 
1 1 1 -13 20 5  o 25.01116 9.715976 42.95284       59.47773 46.20652       86.69315 40.05944       81.75254 28.13503 11.46174 27.12153 11.09884 1.013496       15.95481 
1 1 1 -13 20 6  o 24.14536 10.09752 21.93096       69.68935 157.8977       112.4422 -62.87280      88.80155 39.63486 13.67955 21.30629 9.938327 18.32857       16.90859 
1 1 1 -13 20 7  o 36.88683 11.37325 134.2037       78.75663 9.463563       113.9748 248.1922       108.9523 28.23072 12.36975 49.03943 12.85400 -20.80872      17.83917 
1 1 1 -13 20 8  o 88.29034 5.549845 689.2193       83.24929 854.1910       120.3731 537.9703       115.2580 97.14037 7.310100 75.80522 9.084658 21.33514       11.66056 
1 1 1 -13 20 9  o 29.32277 10.85875 72.49783       72.16521 149.2332       98.25682 -17.37426      106.3353 38.48615 12.79207 25.81478 11.59137 12.67137       17.26259 
1 1 1 -13 20 10 o 47.24945 8.901348 212.2317       69.18675 287.3351       97.46343 135.9410       98.23077 53.87949 10.96588 37.00343 12.78506 16.87606       16.84364 
1 1 1 -13 20 11 o 34.76775 10.94178 119.1898       72.47491 186.3239       93.65420 18.96820       114.4291 42.45478 12.24339 28.56148 12.45756 13.89330       17.46686 
1 1 1 -13 20 12 o 33.44308 11.21912 109.1380       75.55450 86.04689       100.3272 139.3913       114.8370 32.12009 12.57943 37.30863 13.71911 -5.188534      18.61333 
1 1 1 -13 20 13 o 43.25672 9.950232 185.1913       71.96940 173.0123       99.27454 198.6825       104.4855 40.43169 12.81532 43.03764 13.06832 -2.605957      18.30337 
1 1 1 -13 20 14 o 85.64812 5.855166 657.2579       85.12312 699.2092       118.9648 613.2461       121.8516 86.49998 8.149876 80.17660 9.058702 6.323380       12.18526 
1 1 1 -13 20 15 o 26.96124 10.77554 52.17292       75.00952 33.25302       85.98354 112.4260       153.4424 26.36964 11.13231 35.90091 14.99581 -9.531271      18.67626 
1 1 1 -12 0  1  o 319.9425 9.694230 8775.978       528.5471 8775.978       528.5471 8775.978       528.5471 319.9425 9.694230 319.9425 9.694230 0.000000       0.000000 
1 1 1 -12 0  2  o 145.8069 6.403290 1826.804       158.7351 1826.804       158.7351 1826.804       158.7351 145.8069 6.403290 145.8069 6.403290 0.000000       0.000000 
1 1 1 -12 0  3  o 226.0944 17.76856 4466.101       676.2855 4466.101       676.2855 4466.101       676.2855 226.0944 17.76856 226.0944 17.76856 0.000000       0.000000 
1 1 1 -12 0  4  o 220.0216 17.45475 4230.968       646.3201 4230.968       646.3201 4230.968       646.3201 220.0216 17.45475 220.0216 17.45475 0.000000       0.000000 
1 1 1 -12 0  5  o 309.4010 21.87486 8360.436       1142.492 8360.436       1142.492 8360.436       1142.492 309.4010 21.87486 309.4010 21.87486 0.000000       0.000000 
1 1 1 -12 0  6  o 69.84331 22.19687 528.1261       233.0488 528.1261       233.0488 528.1261       233.0488 69.84331 22.19687 69.84331 22.19687 0.000000       0.000000 
1 1 1 -12 0  7  o 174.4464 23.25558 2755.146       658.3065 2755.146       658.3065 2755.146       658.3065 174.4464 23.25558 174.4464 23.25558 0.000000       0.000000 
1 1 1 -12 0  8  o 411.6872 40.56117 15265.55       2788.017 15265.55       2788.017 15265.55       2788.017 411.6872 40.56117 411.6872 40.56117 0.000000       0.000000 
1 1 1 -12 0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0  12 o 288.3806 30.48971 7440.275       1463.089 7440.275       1463.089 7440.275       1463.089 288.3806 30.48971 288.3806 30.48971 0.000000       0.000000 
1 1 1 -12 0  13 o 52.19321 20.74465 322.7663       178.5239 322.7663       178.5239 322.7663       178.5239 52.19321 20.74465 52.19321 20.74465 0.000000       0.000000 
1 1 1 -12 0  14 o 224.0931 10.77791 4326.569       410.2690 4326.569       410.2690 4326.569       410.2690 224.0931 10.77791 224.0931 10.77791 0.000000       0.000000 
1 1 1 -12 0  15 o 469.6090 7.302314 18863.58       585.2779 18863.58       585.2779 18863.58       585.2779 469.6090 7.302314 469.6090 7.302314 0.000000       0.000000 
1 1 1 -12 0  16 o 163.2224 11.58204 2315.553       319.0906 2315.553       319.0906 2315.553       319.0906 163.2224 11.58204 163.2224 11.58204 0.000000       0.000000 
1 1 1 -12 0  17 o 137.4593 7.287224 1629.069       169.9579 1629.069       169.9579 1629.069       169.9579 137.4593 7.287224 137.4593 7.287224 0.000000       0.000000 
1 1 1 -12 0  18 o 222.4298 7.386055 4245.528       279.8472 4245.528       279.8472 4245.528       279.8472 222.4298 7.386055 222.4298 7.386055 0.000000       0.000000 
1 1 1 -12 0  19 o 218.2044 8.084205 4092.188       300.2949 4092.188       300.2949 4092.188       300.2949 218.2044 8.084205 218.2044 8.084205 0.000000       0.000000 
1 1 1 -12 0  20 o 176.8992 7.141411 2691.307       214.9317 2691.307       214.9317 2691.307       214.9317 176.8992 7.141411 176.8992 7.141411 0.000000       0.000000 
1 1 1 -12 0  21 o 68.12244 11.56519 431.4457       122.8947 431.4457       122.8947 431.4457       122.8947 68.12244 11.56519 68.12244 11.56519 0.000000       0.000000 
1 1 1 -12 0  22 o 153.8348 15.16369 2109.035       389.4644 2109.035       389.4644 2109.035       389.4644 153.8348 15.16369 153.8348 15.16369 0.000000       0.000000 
1 1 1 -12 0  23 o 155.4403 7.887688 2088.739       208.1401 2088.739       208.1401 2088.739       208.1401 155.4403 7.887688 155.4403 7.887688 0.000000       0.000000 
1 1 1 -12 0  24 o 34.38021 14.40501 144.2628       84.86864 144.2628       84.86864 144.2628       84.86864 34.38021 14.40501 34.38021 14.40501 0.000000       0.000000 
1 1 1 -12 0  25 o 395.0854 8.649173 13446.42       582.9044 13446.42       582.9044 13446.42       582.9044 395.0854 8.649173 395.0854 8.649173 0.000000       0.000000 
1 1 1 -12 0  26 o 39.61708 19.33247 204.7701       154.2681 204.7701       154.2681 204.7701       154.2681 39.61708 19.33247 39.61708 19.33247 0.000000       0.000000 
1 1 1 -12 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0  28 o 102.3538 8.849724 923.0809       152.0203 923.0809       152.0203 923.0809       152.0203 102.3538 8.849724 102.3538 8.849724 0.000000       0.000000 
1 1 1 -12 0  29 o 31.35840 16.79397 126.3209       123.2684 126.3209       123.2684 126.3209       123.2684 31.35840 16.79397 31.35840 16.79397 0.000000       0.000000 
1 1 1 -12 0  30 o 46.84254 17.44044 261.2561       129.7993 261.2561       129.7993 261.2561       129.7993 46.84254 17.44044 46.84254 17.44044 0.000000       0.000000 
1 1 1 -12 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0  32 o 175.4869 6.714627 2676.613       200.5500 2676.613       200.5500 2676.613       200.5500 175.4869 6.714627 175.4869 6.714627 0.000000       0.000000 
1 1 1 -12 0  33 o 34.67183 15.78462 160.2630       101.3277 160.2630       101.3277 160.2630       101.3277 34.67183 15.78462 34.67183 15.78462 0.000000       0.000000 
1 1 1 -12 0  34 o 52.50606 15.60051 309.5805       121.7145 309.5805       121.7145 309.5805       121.7145 52.50606 15.60051 52.50606 15.60051 0.000000       0.000000 
1 1 1 -12 0  35 o 51.89707 14.98164 302.6697       115.1770 302.6697       115.1770 302.6697       115.1770 51.89707 14.98164 51.89707 14.98164 0.000000       0.000000 
1 1 1 -12 0  36 o 13.73675 9.853707 -158.0667      109.4356 -158.0667      109.4356 -158.0667      109.4356 13.73675 9.853707 13.73675 9.853707 0.000000       0.000000 
1 1 1 -12 0  37 o 19.15269 12.78144 -9.265551      114.1650 -9.265551      114.1650 -9.265551      114.1650 19.15269 12.78144 19.15269 12.78144 0.000000       0.000000 
1 1 1 -12 1  1  o 281.6119 7.876651 6783.468       378.7866 6702.898       409.5083 7260.808       996.7595 279.8887 8.567921 289.2081 20.31144 -9.319397      22.04459 
1 1 1 -12 1  2  o 439.2479 11.54798 16538.70       866.1988 16275.16       932.4789 18197.28       2339.313 435.5815 12.53625 454.5907 30.30837 -19.00922      32.79870 
1 1 1 -12 1  3  o 474.1609 11.78017 19279.23       953.8486 19056.78       1026.580 20684.39       2580.068 471.2430 12.75693 483.9251 31.39075 -12.68210      33.88389 
1 1 1 -12 1  4  o 270.1382 15.93789 6303.038       731.9659 6503.064       1268.328 6203.149       896.2856 271.3241 27.76532 267.1552 19.78700 4.168884       34.09455 
1 1 1 -12 1  5  o 353.8777 19.49585 10858.44       1173.596 11638.37       2033.122 10468.70       1437.216 361.2548 33.33295 345.9253 24.48801 15.32950       41.36120 
1 1 1 -12 1  6  o 111.2431 10.80519 1070.629       202.6720 1177.861       349.0775 1016.102       248.9236 115.4348 18.32053 107.8798 13.83060 7.554947       22.95490 
1 1 1 -12 1  7  o 112.3996 19.15888 1121.246       354.5497 1121.246       354.5497 0.000000       0.000000 112.3996 19.15888 ?        ?        0.000000       19.15888 
1 1 1 -12 1  8  o 342.6927 34.35012 10504.28       1983.118 10504.28       1983.118 0.000000       0.000000 342.6927 34.35012 ?        ?        0.000000       34.35012 
1 1 1 -12 1  9  o 190.2961 23.04278 3187.430       733.5394 3187.430       733.5394 0.000000       0.000000 190.2961 23.04278 ?        ?        0.000000       23.04278 
1 1 1 -12 1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 1  11 o 270.8947 28.58162 6495.777       1302.216 0.000000       0.000000 6495.777       1302.216 ?        ?        270.8947 28.58162 0.000000       28.58162 
1 1 1 -12 1  12 o 233.2580 8.174215 4656.025       325.6002 0.000000       0.000000 4656.025       325.6002 ?        ?        233.2580 8.174215 0.000000       8.174215 
1 1 1 -12 1  13 o 164.7007 9.820247 2332.183       274.9418 0.000000       0.000000 2332.183       274.9418 ?        ?        164.7007 9.820247 0.000000       9.820247 
1 1 1 -12 1  14 o 343.9489 7.088158 10119.85       416.3219 10545.81       606.2781 9739.771       572.6924 350.7718 10.12151 337.1221 9.947922 13.64975       14.19176 
1 1 1 -12 1  15 o 221.6584 6.743694 4202.830       255.2608 4447.095       355.6443 3943.296       366.5909 227.8330 9.141076 214.4677 10.00963 13.36526       13.55551 
1 1 1 -12 1  16 o 206.1427 5.651563 3633.561       198.9475 3842.491       290.8425 3449.833       272.7378 211.8306 8.040208 200.7217 7.956994 11.10892       11.31188 
1 1 1 -12 1  17 o 126.1490 5.902987 1361.241       127.1621 1162.513       182.9059 1547.158       176.9125 116.0520 9.307715 134.1771 7.754133 -18.12512      12.11446 
1 1 1 -12 1  18 o 201.0185 5.965436 3458.089       204.7765 3383.134       290.0479 3532.582       289.1496 198.5889 8.552888 202.9508 8.343148 -4.361893      11.94822 
1 1 1 -12 1  19 f 277.6726 4.810581 6595.054       228.1038 6328.538       287.1958 7050.462       375.4191 271.8446 6.186649 286.7033 7.667992 -14.85873      9.852550 
1 1 1 -12 1  20 f 110.8032 6.160347 1055.294       116.1024 1119.186       132.4761 843.6915       241.0869 114.0336 6.834547 97.30994 14.98946 16.72370       16.47407 
1 1 1 -12 1  21 o 128.4244 5.204766 1412.661       114.1434 1546.513       170.9050 1304.878       153.3624 133.9379 7.502395 123.0226 7.333470 10.91531       10.49122 
1 1 1 -12 1  22 o 177.4757 4.345971 2696.320       131.7127 2835.380       172.5808 2502.329       203.8364 181.8458 5.557600 170.6223 6.995905 11.22348       8.934741 
1 1 1 -12 1  23 o 156.9790 5.048351 2112.449       135.3297 1887.126       224.3791 2241.277       169.6620 147.4826 8.951570 161.5394 6.150412 -14.05679      10.86085 
1 1 1 -12 1  24 o 118.6779 5.095047 1208.176       103.2571 1196.296       138.6045 1222.991       154.7872 117.6628 6.928790 118.8160 7.669794 -1.153206      10.33605 
1 1 1 -12 1  25 o 140.6232 5.021003 1697.026       120.5728 1611.452       157.7917 1817.104       186.9153 136.7516 6.756938 144.8537 7.582738 -8.102051      10.15648 
1 1 1 -12 1  26 o 127.9951 10.81650 1444.466       234.2053 1499.937       330.6129 1388.589       331.8229 128.4460 15.37870 123.1399 16.17095 5.306175       22.31600 
1 1 1 -12 1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 1  28 o 61.65300 8.379690 336.1058       85.93758 252.1500       109.5657 470.3312       138.5372 52.31107 12.44597 72.15494 11.63950 -19.84386      17.04054 
1 1 1 -12 1  29 o 126.4874 5.031305 1376.496       108.6750 1365.244       150.8848 1388.625       156.6571 125.3139 7.079867 126.3167 7.293550 -1.002815      10.16466 
1 1 1 -12 1  30 o 68.36250 8.013621 414.2154       91.77621 380.9486       122.8200 456.2758       138.1023 64.26598 11.61912 70.34775 11.92181 -6.081772      16.64732 
1 1 1 -12 1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 1  32 o 63.37154 8.473965 363.3241       89.40630 407.2000       122.7361 313.7219       130.4999 65.79892 11.33219 56.46854 13.67795 9.330379       17.76245 
1 1 1 -12 1  33 o 56.06289 9.236178 291.4531       85.34403 374.0289       116.8919 197.1838       124.8945 62.50745 11.36977 44.46007 14.40416 18.04737       18.35080 
1 1 1 -12 1  34 o 23.05185 9.897781 7.154002       69.99636 -97.00683      102.8836 96.91405       95.50707 21.83176 10.34200 33.53226 12.47727 -11.70050      16.20615 
1 1 1 -12 1  35 o 107.4743 5.321729 1018.276       97.66962 1198.552       140.3793 849.1285       135.9773 114.9367 7.188365 95.63895 8.411411 19.29774       11.06456 
1 1 1 -12 1  36 o 34.70053 11.70393 121.3595       82.22984 149.5652       112.2595 88.70446       120.7896 37.78959 13.61404 33.12754 13.51623 4.662048       19.18412 
1 1 1 -12 1  37 o 44.94266 10.34037 207.2805       77.70904 147.3713       116.4476 255.3800       104.3408 36.72095 13.75495 48.13606 12.56062 -11.41512      18.62707 
1 1 1 -12 2  1  o 229.7717 4.594262 4510.547       180.2661 4726.513       254.2521 4292.246       255.6231 235.1438 6.331829 224.0665 6.680689 11.07726       9.204546 
1 1 1 -12 2  2  o 551.7358 12.69266 26114.13       1195.875 26270.35       1293.997 25199.72       3130.739 553.1699 13.69849 533.0195 34.58229 20.15039       37.19655 
1 1 1 -12 2  3  o 185.1695 6.570496 2931.355       207.7636 2866.934       227.1835 3260.577       513.5760 183.0973 7.265960 194.0978 15.62706 -11.00053      17.23366 
1 1 1 -12 2  4  o 335.4045 8.520804 9626.771       488.0355 9666.348       530.0765 9406.546       1250.418 336.0274 9.237659 328.6528 22.41380 7.374603       24.24279 
1 1 1 -12 2  5  o 169.8562 7.377847 2467.629       213.9996 2267.213       234.3806 3471.986       524.6857 162.5485 8.473115 200.3155 15.45805 -37.76701      17.62796 
1 1 1 -12 2  6  o 472.9700 31.22655 19770.63       2507.892 19758.93       3546.637 19782.33       3546.752 464.3388 45.30522 464.6356 45.27617 -0.2968140     64.05071 
1 1 1 -12 2  7  o 510.8754 33.64461 23174.50       2918.737 23822.10       4127.544 22526.80       4127.892 508.0381 48.15154 492.7195 49.74077 15.31857       69.22945 
1 1 1 -12 2  8  o 60.96332 17.09383 329.1014       185.1410 329.1014       185.1410 0.000000       0.000000 60.96332 17.09383 ?        ?        0.000000       17.09383 
1 1 1 -12 2  9  o 647.0923 64.88160 40723.60       7072.944 40723.60       7072.944 0.000000       0.000000 647.0923 64.88160 ?        ?        0.000000       64.88160 
1 1 1 -12 2  10 o 476.8278 30.74507 20070.48       2490.109 21796.09       3522.152 18346.06       3520.939 489.8483 42.52811 446.2789 46.90260 43.56934       63.31266 
1 1 1 -12 2  11 o 502.1417 12.81838 21644.55       1099.161 20913.13       3866.120 21708.87       1146.472 475.2435 48.31006 502.7730 13.35333 -27.52948      50.12158 
1 1 1 -12 2  12 o 355.4564 10.95074 10832.24       664.7091 0.000000       0.000000 10832.24       664.7091 ?        ?        355.4564 10.95074 0.000000       10.95074 
1 1 1 -12 2  13 o 377.4796 7.394547 12190.25       476.6581 0.000000       0.000000 12190.25       476.6581 ?        ?        377.4796 7.394547 0.000000       7.394547 
1 1 1 -12 2  14 o 458.8206 10.64982 18052.77       834.4244 16033.20       2063.582 18447.53       912.3369 425.8626 28.54107 463.6384 11.52322 -37.77585      30.77949 
1 1 1 -12 2  15 o 266.0193 6.386103 6052.552       290.1022 5430.108       394.7519 6783.466       427.7669 251.7408 9.182663 281.3981 8.901928 -29.65729      12.78928 
1 1 1 -12 2  16 o 89.69028 7.071279 692.7139       107.4257 698.5422       147.7313 686.1738       156.4928 89.72211 9.801535 88.80374 10.52434 0.9183655      14.38165 
1 1 1 -12 2  17 o 156.9932 4.928816 2107.264       132.1373 1995.667       166.3605 2298.004       217.4927 152.7103 6.379404 163.7804 7.776442 -11.07013      10.05832 
1 1 1 -12 2  18 o 207.4029 5.393415 3680.032       191.0208 3737.515       198.4365 2953.781       705.3336 209.0036 5.559885 181.3878 23.31056 27.61583       23.96444 
1 1 1 -12 2  19 o 165.5151 5.336536 2344.507       150.8339 2633.445       220.4698 2090.270       206.8077 175.2346 7.367624 156.0827 7.759075 19.15189       10.69977 
1 1 1 -12 2  20 o 201.8158 5.317460 3487.459       183.2573 3559.564       232.5361 3369.277       297.7029 203.7248 6.684123 197.8803 8.810053 5.844513       11.05869 
1 1 1 -12 2  21 o 154.3147 4.172688 2037.517       109.9576 1822.499       141.7048 2362.906       174.3202 145.8135 5.690949 165.9759 6.150365 -20.16234      8.379374 
1 1 1 -12 2  22 o 82.21996 5.175820 581.6391       72.29962 601.6263       104.4541 563.2562       100.1743 83.29766 7.421017 80.58681 7.360571 2.710854       10.45225 
1 1 1 -12 2  23 o 223.3488 5.081279 4277.090       193.8021 4080.309       289.4395 4437.013       260.9279 217.5402 7.791414 227.1309 6.727324 -9.590637      10.29383 
1 1 1 -12 2  24 o 131.9980 4.875675 1494.156       109.9016 1590.124       147.1334 1373.031       165.2959 135.9679 6.336843 125.8936 7.726110 10.07430       9.992414 
1 1 1 -12 2  25 o 70.66421 7.502068 435.9419       89.14332 420.1956       139.1473 446.9033       116.0960 68.11266 12.42079 71.01283 9.837937 -2.900177      15.84491 
1 1 1 -12 2  26 o 227.3855 13.41177 4606.821       518.4702 4847.622       731.6190 4363.891       734.8469 228.6800 18.90456 215.7378 20.18105 12.94223       27.65244 
1 1 1 -12 2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 2  28 o 223.6132 4.825527 4295.251       184.2655 4260.041       256.3194 4332.911       265.0829 222.0526 6.759643 223.8750 6.933846 -1.822464      9.683542 
1 1 1 -12 2  29 o 98.85133 7.968307 856.0470       133.3663 843.2756       157.4864 888.4272       250.7627 97.56279 9.576149 97.42606 15.59880 0.1367264      18.30369 
1 1 1 -12 2  30 o 110.0082 5.609141 1049.211       105.0216 1048.169       137.7927 1050.656       162.2268 109.3349 7.424146 108.8944 8.799169 0.4405060      11.51275 
1 1 1 -12 2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 2  32 o 24.65960 10.35116 16.14557       73.65723 7.627134       102.2268 25.34289       106.2222 27.66697 11.92142 29.31504 12.37438 -1.648073      17.18271 
1 1 1 -12 2  33 o 27.19658 10.76740 45.53915       74.23602 53.46329       106.1391 37.95036       103.8689 31.01432 12.66387 29.65129 12.35755 1.363035       17.69414 
1 1 1 -12 2  34 f 32.73676 11.17947 99.15767       75.03465 217.9174       107.2582 -14.67062      105.0076 46.11364 13.03924 26.02875 11.61481 20.08489       17.46212 
1 1 1 -12 2  35 o 26.05581 10.52673 41.92678       72.43278 127.8532       101.4889 -47.28161      103.4089 36.03745 12.94853 23.75263 10.95601 12.28481       16.96168 
1 1 1 -12 2  36 o 44.29979 10.31715 197.2754       76.59422 211.3009       107.4359 182.7783       109.2275 43.96440 13.22963 40.93189 13.48169 3.032505       18.88860 
1 1 1 -12 2  37 o 18.45627 8.851026 -86.79102      80.30157 -18.00363      111.6149 -160.6009      115.6180 25.36680 11.58175 20.42105 9.984063 4.945749       15.29112 
1 1 1 -12 3  1  o 78.86362 5.506951 534.1011       73.69791 555.5957       98.85969 507.2127       110.5698 80.27451 7.291258 76.51002 8.612604 3.764496       11.28448 
1 1 1 -12 3  2  o 302.4362 6.515553 7819.523       336.5015 7786.024       484.9303 7850.633       467.3277 301.5836 9.416071 302.8633 9.035930 -1.279785      13.05030 
1 1 1 -12 3  3  o 558.8926 13.99806 26824.13       1335.974 26502.12       1444.997 28719.77       3505.968 555.2328 15.24017 568.0129 36.33536 -12.78003      39.40205 
1 1 1 -12 3  4  o 316.5639 10.79017 8586.217       583.2994 7882.403       632.5013 12589.33       1508.451 303.1641 12.21748 380.2228 23.34516 -77.05875      26.34888 
1 1 1 -12 3  5  o 316.6606 9.136048 8583.308       494.0313 8551.383       515.7433 8938.696       1720.781 316.0337 9.556486 317.1409 32.22144 -1.107178      33.60874 
1 1 1 -12 3  6  o 340.6843 9.553683 9937.695       555.8081 9861.778       580.0014 10791.16       1944.704 339.3344 10.00920 348.3175 33.09211 -8.983032      34.57270 
1 1 1 -12 3  7  o 120.9193 13.46218 1270.667       273.2608 1207.726       385.8794 1333.981       387.0214 116.6111 20.10405 122.9110 19.05613 -6.299881      27.70034 
1 1 1 -12 3  8  o 457.1213 23.86946 18203.58       1856.806 19035.92       3216.169 17787.44       2274.083 458.4923 41.52826 449.3705 29.80379 9.121796       51.11617 
1 1 1 -12 3  9  o 245.3052 17.61821 5214.204       733.1083 6063.134       1038.010 4369.312       1035.538 263.2430 23.33280 221.8759 27.95120 41.36716       36.41002 
1 1 1 -12 3  10 o 144.5561 8.287385 1794.022       203.7228 1459.094       442.1884 1884.268       229.5343 128.2306 20.91464 148.0758 9.121801 -19.84512      22.81731 
1 1 1 -12 3  11 o 207.7686 7.908495 3693.576       280.5923 0.000000       0.000000 3693.576       280.5923 ?        ?        207.7686 7.908495 0.000000       7.908495 
1 1 1 -12 3  12 o 253.9618 6.250985 5514.525       271.0933 3136.582       690.5662 5947.751       294.7552 188.8937 21.80933 263.7314 6.544820 -74.83772      22.77019 
1 1 1 -12 3  13 f 290.2002 8.684035 7210.860       430.3495 6691.432       957.1674 7342.464       481.7922 277.0960 20.37095 292.7413 9.637708 -15.64536      22.53577 
1 1 1 -12 3  14 o 267.8186 8.723610 6143.012       398.9688 5754.669       1207.588 6190.595       422.7052 254.1320 28.30746 268.8069 9.208632 -14.67491      29.76762 
1 1 1 -12 3  15 o 358.5537 8.415977 11011.25       515.3007 10310.52       1276.570 11147.65       563.2263 343.2328 21.89396 360.6661 9.144830 -17.43335      23.72706 
1 1 1 -12 3  16 o 105.4994 6.008174 955.1364       107.7937 960.9113       138.6762 946.3207       171.3395 105.6444 7.740830 104.5855 9.704213 1.058937       12.41339 
1 1 1 -12 3  17 f 46.52004 9.133300 192.1148       69.96553 192.8549       76.60860 188.3942       171.7704 46.51003 9.946675 48.88754 16.90560 -2.377510      19.61468 
1 1 1 -12 3  18 o 150.0161 5.054801 1925.114       129.4923 2087.360       193.5197 1793.568       174.2517 156.0556 7.261794 144.6727 7.053237 11.38289       10.12333 
1 1 1 -12 3  19 o 225.8152 4.681983 4362.313       180.5448 4418.719       227.7684 4266.958       296.1437 227.1450 5.872030 222.9555 7.778257 4.189514       9.745872 
1 1 1 -12 3  20 o 203.3007 4.504672 3536.684       156.3882 3667.957       204.9570 3353.746       241.9509 206.8912 5.801213 197.6436 7.168735 9.247574       9.221975 
1 1 1 -12 3  21 o 205.3294 5.266586 3612.580       184.6640 3387.594       233.4832 3988.416       301.7713 198.5833 6.885113 215.2004 8.211697 -16.61716      10.71619 
1 1 1 -12 3  22 o 110.0005 6.109701 1041.952       114.3149 1129.662       170.7457 970.6987       153.8956 114.0422 8.836613 105.7143 8.599463 8.327965       12.33031 
1 1 1 -12 3  23 o 163.2942 4.509109 2284.588       125.7371 2328.953       164.0587 2221.429       195.7469 164.6815 5.833811 160.6064 7.137238 4.075165       9.218108 
1 1 1 -12 3  24 o 180.0154 4.305190 2776.668       132.3439 2767.988       172.4740 2789.096       206.3821 179.5100 5.626432 179.9639 6.715596 -0.4539337     8.761047 
1 1 1 -12 3  25 o 224.7157 4.584308 4330.668       175.9175 4183.839       224.8339 4562.461       282.4921 220.5359 5.970085 229.9118 7.195205 -9.375916      9.349486 
1 1 1 -12 3  26 o 118.5675 12.92765 1258.789       257.5084 1015.182       366.1272 1497.261       362.2476 102.2011 21.65177 127.3612 17.08670 -25.16014      27.58178 
1 1 1 -12 3  27 o 112.7729 7.711406 1106.166       147.6138 1009.672       288.7954 1140.291       171.7438 104.2470 16.79321 114.1710 8.878772 -9.923973      18.99591 
1 1 1 -12 3  28 o 133.4727 5.532916 1533.469       126.1097 1450.953       158.6116 1675.278       207.9309 129.2751 7.213619 138.3784 8.845575 -9.103302      11.41405 
1 1 1 -12 3  29 f 104.0690 5.466785 936.3574       96.81247 977.6263       131.0959 886.8535       143.5813 105.8381 7.298062 100.4062 8.452681 5.431877       11.16734 
1 1 1 -12 3  30 o 69.04667 10.95870 437.0886       124.8960 526.5927       138.2262 39.03078       291.5021 75.90318 10.98351 45.33799 19.82605 30.56520       22.66517 
1 1 1 -12 3  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 3  32 o 53.24058 9.729996 263.6349       85.20227 254.4424       110.4474 277.1457       133.8992 51.01035 12.72221 52.51439 14.46863 -1.504036      19.26644 
1 1 1 -12 3  33 o 20.23474 9.490613 -71.40455      82.85511 -134.1995      93.37618 161.0942       179.6735 19.21831 9.298207 42.68918 16.79866 -23.47087      19.20030 
1 1 1 -12 3  34 o 31.39733 11.02511 89.14069       73.18965 132.7610       99.61964 37.98144       107.8854 37.01753 12.87027 29.52623 12.46761 7.491302       17.91885 
1 1 1 -12 3  35 o 90.47105 5.763207 729.3400       88.57449 605.1957       120.9677 872.8290       130.0515 80.01823 9.009501 97.27332 7.897424 -17.25508      11.98083 
1 1 1 -12 3  36 o 18.11969 8.762833 -108.1179      82.70521 64.78876       112.2576 -313.3916      122.3141 30.73947 12.83199 17.86436 8.980247 12.87511       15.66221 
1 1 1 -12 3  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4  1  o 121.7672 4.134386 1266.665       85.96928 1348.219       112.7393 1153.355       132.8880 125.6057 5.256110 115.9472 6.740654 9.658470       8.547695 
1 1 1 -12 4  2  o 454.6324 7.283433 17676.42       565.4556 17535.03       813.9703 17808.30       786.1072 452.4118 10.53593 455.9864 10.09550 -3.574585      14.59195 
1 1 1 -12 4  3  o 350.2414 7.461770 10491.53       446.2838 10645.85       643.6316 10348.63       619.3499 352.4953 10.69257 347.5684 10.43503 4.926910       14.94058 
1 1 1 -12 4  4  o 499.8025 8.440714 21374.98       720.4096 18635.28       1015.974 24145.53       1021.676 466.0277 12.76641 530.7592 11.27233 -64.73154      17.03076 
1 1 1 -12 4  5  o 399.6599 11.49510 13693.10       784.5225 13551.13       817.8940 15327.10       2774.765 397.5039 12.04908 412.1302 39.92735 -14.62628      41.70580 
1 1 1 -12 4  6  o 193.7852 6.903221 3211.082       228.4411 3159.266       239.2052 3748.263       770.1913 192.1992 7.288147 206.8353 22.15024 -14.63608      23.31845 
1 1 1 -12 4  7  o 219.6833 7.237279 4127.410       271.5028 4012.271       296.0283 4737.179       681.2465 216.5579 8.004924 233.8542 17.17939 -17.29631      18.95284 
1 1 1 -12 4  8  o 294.9057 7.992448 7440.878       402.4991 7454.208       437.8063 7368.091       1023.051 295.1152 8.687372 291.0637 20.71819 4.051514       22.46584 
1 1 1 -12 4  9  o 405.9245 9.490171 14110.60       657.8415 12308.84       2345.678 14264.40       685.3450 369.5111 37.70212 408.0864 9.834566 -38.57529      38.96368 
1 1 1 -12 4  10 o 114.1222 9.599277 1123.329       185.3353 1131.029       412.4809 1121.381       207.4560 112.2548 22.30379 113.8709 10.79777 -1.616104      24.78006 
1 1 1 -12 4  11 o 146.8703 7.464246 1850.161       186.5911 1414.337       364.1557 2005.323       217.2820 126.9108 17.24997 152.8364 8.356867 -25.92560      19.16764 
1 1 1 -12 4  12 o 552.3657 12.61728 26205.34       1190.130 25568.93       3072.893 26317.65       1290.878 535.0424 33.80619 553.2668 13.66308 -18.22449      36.46283 
1 1 1 -12 4  13 o 289.9460 20.15166 7327.428       991.5700 7327.428       991.5700 0.000000       0.000000 289.9460 20.15166 ?        ?        0.000000       20.15166 
1 1 1 -12 4  14 o 230.6156 7.313532 4551.485       288.0168 4670.651       649.3778 4522.303       321.3537 231.9574 16.50172 229.8078 8.188731 2.149567       18.42179 
1 1 1 -12 4  15 f 467.8931 11.60142 18814.84       926.9569 18812.19       965.2092 18846.28       3325.622 467.7308 12.08436 447.5770 44.08366 20.15387       45.70997 
1 1 1 -12 4  16 o 158.9714 7.200602 2164.214       195.4743 2054.827       387.6630 2201.508       226.3575 153.4444 14.98583 160.0434 8.310983 -6.598999      17.13615 
1 1 1 -12 4  17 o 112.6235 4.922246 1084.794       94.66604 1064.212       121.4287 1116.687       151.1571 111.3023 6.415934 113.8585 7.821740 -2.556229      10.11651 
1 1 1 -12 4  18 o 304.5291 5.254876 7936.009       273.2708 7882.036       342.2701 8030.908       453.8486 303.2946 6.608494 305.7512 8.692424 -2.456665      10.91927 
1 1 1 -12 4  19 o 55.33804 6.846916 266.6272       63.32159 263.8965       84.30540 270.1616       95.91402 54.60649 9.378746 55.04545 10.58818 -0.4389610     14.14463 
1 1 1 -12 4  20 o 23.50055 9.483047 21.03194       58.70595 119.9703       80.11750 -93.68243      86.26885 37.20702 11.47095 20.39362 9.602631 16.81340       14.95972 
1 1 1 -12 4  21 o 154.1424 4.362204 2033.971       114.8233 2115.491       150.9189 1921.923       176.9360 157.0658 5.626785 149.5413 6.928721 7.524475       8.925687 
1 1 1 -12 4  22 o 123.0394 4.728142 1297.079       99.34290 1319.625       127.6073 1262.391       158.2804 123.9701 6.027769 120.7977 7.713284 3.172462       9.789216 
1 1 1 -12 4  23 o 121.1325 4.895404 1258.148       101.2631 1190.214       135.6767 1343.581       152.1502 117.3955 6.796947 124.6744 7.176803 -7.278915      9.884583 
1 1 1 -12 4  24 o 116.0615 4.933955 1155.659       97.78791 1277.798       129.1288 991.4310       149.7337 121.7115 6.233751 106.7291 8.280334 14.98241       10.36454 
1 1 1 -12 4  25 o 34.69465 13.69919 64.55611       119.8673 62.06192       130.9030 77.50584       298.2732 35.57685 14.22926 49.45127 20.79758 -13.87443      25.19943 
1 1 1 -12 4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4  27 o 115.5052 5.884882 1151.869       115.6910 1218.930       144.1342 1030.417       193.9712 118.5204 7.155052 107.8537 10.67178 10.66677       12.84841 
1 1 1 -12 4  28 o 229.1490 6.500987 4536.743       254.3894 4909.545       401.9363 4287.612       328.5728 236.5178 9.951569 221.7520 8.676849 14.76575       13.20308 
1 1 1 -12 4  29 o 163.2488 5.019605 2296.165       139.9334 2262.822       177.7308 2350.543       226.9704 161.5892 6.440927 163.9873 8.105075 -2.398102      10.35267 
1 1 1 -12 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 4  31 o 89.75832 8.325903 720.2515       126.1640 720.2515       126.1640 0.000000       0.000000 89.75832 8.325903 ?        ?        0.000000       8.325903 
1 1 1 -12 4  32 o 24.49570 11.04149 -32.86551      97.55845 -92.96284      108.3955 223.4073       223.8386 23.03136 10.81922 48.44376 18.84020 -25.41240      21.72576 
1 1 1 -12 4  33 o 48.10712 11.58574 227.1015       94.04263 224.4909       100.2443 246.2628       271.5869 47.51513 12.26941 49.35209 20.21657 -1.836967      23.64843 
1 1 1 -12 4  34 o 127.0303 4.958768 1413.240       107.5680 1297.796       140.1820 1578.558       167.7514 120.1983 6.857973 131.9948 7.472979 -11.79650      10.14284 
1 1 1 -12 4  35 o 44.30857 10.60575 197.2398       79.17923 213.3274       108.8298 179.1471       115.4126 44.44539 13.30185 40.79235 13.86523 3.653042       19.21416 
1 1 1 -12 4  36 o 69.62289 7.279204 449.3312       85.26459 375.1520       116.6825 534.3282       124.9013 59.90913 11.82521 73.32069 10.25631 -13.41156      15.65335 
1 1 1 -12 5  1  o 388.0939 7.135736 12881.67       472.9090 12490.78       682.0061 13243.67       656.3217 381.7938 10.46062 393.2213 9.774123 -11.42752      14.31636 
1 1 1 -12 5  2  o 255.9836 4.692250 5598.941       205.1139 5394.928       289.1895 5805.473       290.9685 251.1812 6.742074 260.5746 6.539010 -9.393417      9.392242 
1 1 1 -12 5  3  o 597.0160 9.515986 30521.68       970.1563 29871.47       1369.558 31176.56       1374.472 589.7296 13.59958 602.5373 13.35826 -12.80768      19.06284 
1 1 1 -12 5  4  o 260.8921 5.808038 5817.873       258.7570 6430.629       363.1378 5185.847       368.8035 274.1709 7.756186 246.1428 8.774167 28.02803       11.71087 
1 1 1 -12 5  5  o 186.1681 4.439762 2961.138       141.1454 2938.024       198.3828 2984.833       200.8598 185.3816 6.266653 186.8514 6.294984 -1.469833      8.882442 
1 1 1 -12 5  6  o 216.3840 6.549388 4003.407       242.0069 4105.528       264.2843 3473.130       602.2364 219.1014 7.063570 199.8820 17.83100 19.21942       19.17912 
1 1 1 -12 5  7  o 171.5392 6.267128 2515.733       183.5836 2496.813       201.3286 2609.088       447.2192 170.8694 6.899846 173.4849 15.25072 -2.615524      16.73895 
1 1 1 -12 5  8  o 119.8763 4.997246 1228.024       102.2977 752.2164       118.9625 2578.419       200.4124 93.47100 7.516557 173.6417 6.758786 -80.17071      10.10840 
1 1 1 -12 5  9  o 233.3451 5.786961 4654.546       230.5957 4047.366       310.4722 5401.597       344.3805 217.4555 8.360847 251.2388 8.026938 -33.78328      11.59032 
1 1 1 -12 5  10 o 190.8106 5.700734 3112.348       185.7528 2720.402       235.9549 3751.146       301.2295 178.3030 7.749405 209.3332 8.426700 -31.03017      11.44826 
1 1 1 -12 5  11 o 633.6946 8.058842 34372.07       872.0765 17871.76       2139.960 37658.02       954.9716 450.0485 27.98339 663.2162 8.432055 -213.1677      29.22618 
1 1 1 -12 5  12 o 219.4157 7.664504 4120.409       287.1796 3629.519       589.5138 4273.150       328.8366 204.2892 17.05437 223.3751 8.620717 -19.08586      19.10938 
1 1 1 -12 5  13 o 213.8010 7.717923 3913.134       281.7813 3990.064       300.7450 3360.194       806.2907 215.8594 8.158786 194.3132 24.86956 21.54619       26.17367 
1 1 1 -12 5  14 o 503.1279 10.32939 21726.68       887.4725 18002.38       2283.938 22389.01       963.1587 448.5259 29.99200 510.5482 11.04738 -62.02234      31.96193 
1 1 1 -12 5  15 o 213.9684 6.578548 3918.690       240.3707 3399.796       543.5339 4044.844       268.0022 197.4222 16.26719 217.3305 7.221308 -19.90826      17.79799 
1 1 1 -12 5  16 f 321.5712 6.247398 8852.316       343.0664 8782.277       476.9141 8927.425       493.8683 319.9005 8.730183 322.4881 8.968000 -2.587585      12.51563 
1 1 1 -12 5  17 o 174.1912 5.221931 2596.287       155.3314 2508.766       214.9520 2691.940       224.7167 171.0500 7.358961 177.1775 7.427194 -6.127518      10.45550 
1 1 1 -12 5  18 o 287.9060 5.614175 7098.322       276.0188 6766.992       340.4510 7733.832       471.5044 280.8586 7.098473 299.7713 9.210725 -18.91263      11.62866 
1 1 1 -12 5  19 o 141.2315 5.155421 1708.154       124.3362 1644.535       182.9362 1762.776       169.5066 138.0984 7.789066 143.3005 6.926869 -5.202026      10.42358 
1 1 1 -12 5  20 o 78.61192 5.456337 532.2258       72.79372 553.7729       92.26051 496.6909       118.4811 80.00613 6.817954 75.26860 9.424540 4.737526       11.63213 
1 1 1 -12 5  21 o 259.6021 5.087586 5776.172       225.5391 5671.698       279.3511 5971.775       382.2383 256.9678 6.366045 263.0652 8.508811 -6.097351      10.62668 
1 1 1 -12 5  22 o 162.8309 4.286071 2270.878       119.1786 2358.492       154.2918 2141.284       187.6508 165.7839 5.450026 157.7155 6.967456 8.068436       8.845802 
1 1 1 -12 5  23 o 24.46150 9.688842 28.75095       60.13330 78.63303       79.55747 -37.72498      91.84190 32.18626 11.47501 24.16407 10.81672 8.022194       15.76950 
1 1 1 -12 5  24 o 21.77243 9.320217 -1.525419      61.73005 -24.29905      81.38035 29.33383       94.73186 23.34785 10.33233 29.19452 11.94734 -5.846674      15.79544 
1 1 1 -12 5  25 f 52.92108 16.08250 256.3178       158.1956 255.8490       174.5398 258.4753       374.4190 53.21200 17.00597 61.01764 24.17386 -7.805645      29.55636 
1 1 1 -12 5  26 o 70.10023 6.842636 428.0513       80.86702 423.9763       108.0073 433.2498       121.9919 69.16793 9.386696 69.59839 10.59903 -0.4304581     14.15802 
1 1 1 -12 5  27 o 78.26192 6.260156 531.5543       82.96353 619.2917       110.2154 416.8439       126.0234 84.17044 7.755204 67.95018 11.25464 16.22026       13.66785 
1 1 1 -12 5  28 o 93.68175 5.854075 760.2352       93.18212 816.5970       117.4950 664.6925       152.9766 96.76922 7.161019 86.14391 10.62430 10.62531       12.81233 
1 1 1 -12 5  29 o 119.5053 5.581851 1234.801       113.9114 1183.269       144.1369 1320.531       185.9110 116.2592 7.297159 122.0848 8.980515 -5.825577      11.57144 
1 1 1 -12 5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 5  31 o 66.08775 9.353758 399.2567       102.6142 343.6679       113.3951 650.6023       241.1217 60.27808 11.43459 78.41213 18.33515 -18.13406      21.60851 
1 1 1 -12 5  32 f 132.1528 6.014018 1531.335       135.7197 1420.310       150.5318 2013.660       313.7537 126.5178 6.994627 144.5822 12.84152 -18.06438      14.62291 
1 1 1 -12 5  33 o 56.20150 11.89634 312.3297       110.6144 275.2499       123.8215 458.8604       246.1454 51.55177 13.79428 60.90350 20.24692 -9.351727      24.49939 
1 1 1 -12 5  34 o 74.31068 6.757612 499.1393       84.81522 550.0165       105.6894 407.1038       142.1503 77.09267 8.151816 61.92302 13.79613 15.16965       16.02452 
1 1 1 -12 5  35 o 48.13873 10.21583 230.3767       81.37986 208.2731       95.40795 289.4032       155.9108 44.45705 12.19865 49.20150 16.10232 -4.744450      20.20128 
1 1 1 -12 5  36 o 48.08577 10.92035 240.0972       87.62695 241.6590       118.6018 238.2197       130.0319 45.64091 13.93751 44.62795 14.71019 1.012955       20.26435 
1 1 1 -12 6  1  o 300.8571 5.900668 7738.286       303.1541 7715.957       437.8453 7758.847       420.1511 300.2139 8.540593 301.0809 8.171848 -0.8670654     11.82036 
1 1 1 -12 6  2  o 210.8098 4.985606 3797.857       179.4778 3633.829       250.5539 3970.726       257.2172 206.1124 7.118609 215.4620 6.990808 -9.349640      9.977274 
1 1 1 -12 6  3  o 448.7021 7.618866 17225.57       583.7816 15303.47       822.1042 19180.64       829.1243 422.3957 11.39739 473.0891 10.26301 -50.69339      15.33721 
1 1 1 -12 6  4  o 685.2465 10.71274 40253.64       1253.573 37845.71       1807.881 42483.41       1739.721 662.8169 15.97255 702.8033 14.49586 -39.98645      21.56971 
1 1 1 -12 6  5  o 330.3253 6.354545 9329.750       358.4496 9343.342       499.0414 9315.264       515.1929 330.3468 8.846360 329.8188 9.147292 0.5279846      12.72521 
1 1 1 -12 6  6  o 187.9801 4.823724 3019.630       154.8447 3255.564       245.6561 2864.091       199.4582 195.0783 7.374228 183.0182 6.381984 12.06015       9.752382 
1 1 1 -12 6  7  o 123.9868 4.660194 1313.601       98.66916 1006.313       108.2396 2824.374       240.0010 108.3365 5.872657 181.6796 7.735793 -73.34315      9.712394 
1 1 1 -12 6  8  o 255.6378 8.240251 5593.904       359.7224 5153.271       391.0328 8019.533       917.4594 245.2756 9.335916 304.1998 17.73839 -58.92415      20.04519 
1 1 1 -12 6  9  o 181.8731 5.888564 2828.056       182.8857 2925.809       227.3206 2648.679       307.9326 184.9288 7.198338 175.4684 10.32220 9.460464       12.58427 
1 1 1 -12 6  10 o 614.1978 10.82471 32361.83       1135.341 31536.30       1599.139 33200.88       1612.169 604.8294 15.48287 620.6901 15.21016 -15.86072      21.70410 
1 1 1 -12 6  11 o 293.1808 8.246108 7360.418       412.8444 7247.975       445.6611 8040.674       1096.156 290.8552 8.972758 303.2454 21.30301 -12.39017      23.11555 
1 1 1 -12 6  12 f 92.13078 6.424735 729.6379       100.4465 690.0165       106.9476 1026.133       292.5598 89.51752 7.053318 107.7752 16.41468 -18.25773      17.86592 
1 1 1 -12 6  13 o 213.8802 7.090413 3916.012       258.9667 3685.654       578.8999 3973.643       289.5545 205.6526 16.62641 215.3830 7.872576 -9.730484      18.39606 
1 1 1 -12 6  14 o 274.3500 5.617908 6438.683       263.1974 6309.733       373.0210 6566.526       371.4187 271.3210 8.050966 276.8123 7.857358 -5.491302      11.24972 
1 1 1 -12 6  15 o 431.0219 8.107266 15933.88       596.7271 15119.62       829.2317 16808.41       859.3743 418.8850 11.59256 441.7285 11.39266 -22.84351      16.25361 
1 1 1 -12 6  16 o 366.3239 6.939560 11501.58       434.1093 11338.45       606.8389 11672.55       621.2614 363.0341 9.788679 368.3186 9.877541 -5.284515      13.90626 
1 1 1 -12 6  17 o 143.4657 5.237143 1761.899       128.3053 1612.677       181.1031 1912.274       181.8009 136.8268 7.783079 149.2995 7.130761 -12.47270      10.55576 
1 1 1 -12 6  18 o 106.4645 4.639464 970.0892       84.34796 991.6700       110.2957 939.6890       130.9071 107.3860 6.039150 104.3357 7.395220 3.050255       9.547807 
1 1 1 -12 6  19 o 198.4235 4.606281 3370.812       156.0794 3276.928       194.2950 3541.620       262.0719 195.4831 5.820370 202.9239 7.562846 -7.440796      9.543236 
1 1 1 -12 6  20 o 181.9953 4.778977 2837.361       148.5241 2751.760       187.9036 2979.894       242.4661 179.0375 6.145951 186.0394 7.632102 -7.001831      9.799067 
1 1 1 -12 6  21 o 117.7390 4.583609 1187.683       92.15731 1128.051       116.6918 1286.523       150.2331 114.4527 5.991351 122.0192 7.242437 -7.566467      9.399425 
1 1 1 -12 6  22 o 157.9903 4.364802 2138.634       117.7598 2086.699       147.8786 2228.652       194.6874 155.8933 5.554896 160.8265 7.088890 -4.933182      9.006066 
1 1 1 -12 6  23 o 116.7843 4.619362 1169.502       92.12311 1169.121       112.7948 1170.265       159.6539 116.6401 5.662908 116.0362 8.108163 0.6038818      9.889935 
1 1 1 -12 6  24 o 137.7424 12.82150 1691.015       298.1205 1684.915       346.1402 1708.539       586.6828 136.3993 15.11476 129.5593 27.37491 6.840073       31.27046 
1 1 1 -12 6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 6  26 o 95.66231 5.418480 789.5602       88.15207 935.4540       113.5532 568.2859       139.8448 103.9423 6.428985 79.86003 10.50979 24.08231       12.32021 
1 1 1 -12 6  27 o 95.92692 5.396318 794.5673       88.03840 837.9937       113.0790 727.7322       140.2837 98.20979 6.784156 90.82490 9.170406 7.384895       11.40706 
1 1 1 -12 6  28 o 170.7310 4.799103 2509.275       139.9183 2565.446       175.1498 2410.208       232.6036 172.2535 5.954422 166.0324 8.203926 6.221130       10.13704 
1 1 1 -12 6  29 o 87.29110 6.318419 665.8452       93.54784 662.6723       108.8302 674.8231       183.0653 86.70795 7.421537 84.87753 13.04798 1.830421       15.01096 
1 1 1 -12 6  30 o 74.65324 9.158199 504.1895       114.3025 493.5846       127.0074 549.3824       262.1873 73.25275 10.44937 70.91042 20.49574 2.342339       23.00576 
1 1 1 -12 6  31 o 61.97861 9.635376 355.0633       98.66703 389.2802       108.4589 190.8213       237.6219 64.69154 10.15203 47.21550 19.06957 17.47605       21.60353 
1 1 1 -12 6  32 o 72.48888 14.33602 533.2416       171.1738 796.1921       213.2481 56.89552       287.0183 88.69887 14.58593 42.58546 19.08813 46.11341       24.02303 
1 1 1 -12 6  33 f 91.73792 6.283188 749.9022       97.83788 708.6810       111.2316 890.8125       205.6548 88.43873 7.434155 93.87789 13.19252 -5.439163      15.14296 
1 1 1 -12 6  34 o 32.18429 12.84037 82.93706       106.3225 82.93706       106.3225 0.000000       0.000000 32.18429 12.84037 ?        ?        0.000000       12.84037 
1 1 1 -12 6  35 o 33.15410 11.90341 108.2423       85.75165 46.09421       115.3076 185.1455       128.2673 29.72575 12.73184 40.65130 14.56213 -10.92555      19.34310 
1 1 1 -12 6  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 7  1  o 222.5157 5.333147 4232.812       202.6498 4093.063       284.9287 4375.868       288.2809 218.6707 7.630338 226.1110 7.466073 -7.440353      10.67541 
1 1 1 -12 7  2  o 124.7592 4.147774 1329.924       88.36692 1437.102       125.4339 1224.317       124.5106 129.6490 5.665573 119.4970 6.122205 10.15202       8.341470 
1 1 1 -12 7  3  o 339.0633 6.154490 9831.030       356.3483 10261.19       502.5564 9396.062       505.3606 346.1611 8.501678 331.1968 8.935386 14.96426       12.33368 
1 1 1 -12 7  4  o 207.1649 4.178309 3666.969       147.8150 4020.279       234.4637 3433.918       190.4247 216.8174 6.332564 200.4196 5.563922 16.39775       8.429626 
1 1 1 -12 7  5  o 411.2205 6.352427 14461.77       446.0837 15853.79       751.0311 13702.99       554.4903 430.0058 10.22779 400.0835 8.115988 29.92230       13.05668 
1 1 1 -12 7  6  f 143.2280 4.312445 1752.888       105.4759 1715.292       157.4985 1783.460       142.0291 141.6156 6.512733 144.4292 5.758646 -2.813553      8.693543 
1 1 1 -12 7  7  o 63.38850 5.109769 345.6731       54.84148 331.3305       69.54253 369.2633       89.18734 61.87750 6.687735 65.16360 8.196200 -3.286106      10.57845 
1 1 1 -12 7  8  o 316.2739 6.689904 8557.138       361.3143 8412.178       504.6377 8709.616       517.5583 313.2882 9.432650 318.7691 9.507826 -5.480896      13.39304 
1 1 1 -12 7  9  o 214.4185 4.943462 3929.802       181.0070 3648.551       236.0156 4331.497       282.0598 206.5094 6.692661 224.9626 7.342246 -18.45317      9.934802 
1 1 1 -12 7  10 o 170.0412 5.086978 2471.825       147.7121 2531.224       162.2635 2184.498       356.8779 172.0531 5.522763 158.7409 13.28746 13.31226       14.38949 
1 1 1 -12 7  11 o 237.2976 5.104901 4814.474       206.8629 4359.167       275.1148 5406.754       313.7802 225.6518 7.139590 251.2911 7.312175 -25.63930      10.21967 
1 1 1 -12 7  12 o 171.6787 4.381463 2519.350       128.4510 2427.104       163.5812 2667.708       207.4508 168.4421 5.686966 176.5171 6.882188 -8.074936      8.927827 
1 1 1 -12 7  13 o 177.3986 4.519983 2690.598       136.9270 2863.038       169.6562 2368.394       231.9085 182.9412 5.430705 166.1883 8.171736 16.75298       9.811719 
1 1 1 -12 7  14 o 106.7561 4.837898 974.7736       88.19653 908.2394       108.1903 1106.581       152.2776 102.8072 6.191468 113.3090 7.919713 -10.50181      10.05267 
1 1 1 -12 7  15 o 160.6935 4.793173 2209.047       131.5295 2190.000       164.2871 2243.051       219.5127 159.9107 6.016223 161.6533 7.951944 -1.742538      9.971377 
1 1 1 -12 7  16 o 231.4068 5.516131 4585.755       217.9780 4302.752       320.8324 4828.392       297.0718 223.7169 8.398030 237.1806 7.334668 -13.46361      11.15008 
1 1 1 -12 7  17 o 148.3090 4.847145 1883.031       122.7596 1903.012       186.7209 1867.819       162.9194 148.8385 7.346419 147.5566 6.465648 1.281876       9.786444 
1 1 1 -12 7  18 o 43.02845 8.294423 164.7723       58.73620 119.9971       75.44019 233.6935       93.59670 36.98987 11.07588 50.95996 11.07202 -13.97009      15.66093 
1 1 1 -12 7  19 o 199.2160 4.388060 3397.940       149.2790 3238.827       185.3949 3691.288       251.7309 194.3300 5.586707 207.1739 7.115404 -12.84384      9.046560 
1 1 1 -12 7  20 o 75.97852 5.833216 498.4705       75.10576 471.4327       97.36137 538.2053       118.0285 73.53094 7.876352 78.39392 8.978530 -4.862984      11.94366 
1 1 1 -12 7  21 o 52.11916 7.159472 238.3116       62.03754 167.1505       74.65369 397.1240       111.5250 42.99776 10.30230 66.89120 10.07605 -23.89344      14.41055 
1 1 1 -12 7  22 o 383.4501 6.202635 12649.46       406.1505 12664.69       495.6623 12618.33       708.5567 382.9706 7.579114 379.9867 10.91954 2.983917       13.29208 
1 1 1 -12 7  23 o 101.7236 13.24572 930.1949       224.6334 956.6459       249.3231 816.1339       517.7379 102.6307 14.64105 89.22420 29.34997 13.40646       32.79910 
1 1 1 -12 7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 7  25 o 93.53204 5.499214 754.9189       87.44762 849.3750       111.7406 605.6458       140.4711 98.99848 6.648256 82.62778 10.17009 16.37070       12.15031 
1 1 1 -12 7  26 o 27.74524 10.40597 51.62462       66.68767 35.07038       77.93604 96.88009       128.8603 27.44346 10.97825 37.84220 14.40320 -10.39874      18.11005 
1 1 1 -12 7  27 o 75.94901 6.728174 503.5114       86.35802 499.9653       97.49064 516.4324       186.0958 75.43307 7.675233 73.87872 15.25606 1.554352       17.07796 
1 1 1 -12 7  28 o 33.17240 10.85263 96.15530       70.82447 49.80767       82.74995 223.0956       136.9474 29.11267 11.41811 48.52065 15.00363 -19.40799      18.85423 
1 1 1 -12 7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 7  30 o 55.96827 9.303299 287.9961       85.79465 179.7595       100.7584 573.3956       163.6141 43.18266 12.77058 77.37288 12.83280 -34.19022      18.10438 
1 1 1 -12 7  31 o 28.33470 11.35968 46.74163       83.64657 -5.066019      89.72385 390.7795       231.2140 25.07405 10.98117 58.58884 19.62631 -33.51479      22.48951 
1 1 1 -12 7  32 o 42.28739 11.56881 176.9084       85.95977 197.3777       90.21011 -25.08598      283.3824 44.59542 11.69972 39.14042 18.08278 5.455002       21.53765 
1 1 1 -12 7  33 o 53.82351 8.978344 274.7210       79.61501 186.6321       98.18597 443.8206       136.0380 42.39987 12.62219 65.92007 12.54311 -23.52020      17.79464 
1 1 1 -12 7  34 o 117.0287 5.609828 1216.109       112.1099 1173.460       144.0152 1281.707       178.6055 113.0666 7.501447 116.3621 9.059792 -3.295486      11.76229 
1 1 1 -12 7  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 8  1  o 240.1823 6.852965 4938.580       281.0745 5009.370       306.5737 4565.354       703.9384 241.8422 7.423365 228.4277 18.19707 13.41451       19.65298 
1 1 1 -12 8  2  o 506.2846 8.298273 21966.87       717.4380 22293.18       1035.852 21666.02       994.6249 509.0337 11.91651 501.9209 11.60439 7.112854       16.63325 
1 1 1 -12 8  3  o 174.9699 4.466307 2616.664       133.4485 2491.190       215.5462 2694.652       169.9336 170.5694 7.400096 177.5053 5.606166 -6.935944      9.283885 
1 1 1 -12 8  4  o 105.6611 4.493883 954.2194       81.08466 852.2943       116.5897 1049.701       112.8441 99.55222 6.900743 110.6153 5.996348 -11.06313      9.142015 
1 1 1 -12 8  5  o 297.2852 5.341154 7556.927       271.1505 7182.134       440.3904 7785.754       344.1097 289.4477 8.909757 301.6299 6.680679 -12.18225      11.13621 
1 1 1 -12 8  6  o 177.0537 4.182266 2678.985       126.4499 2604.981       196.2076 2731.558       165.3741 174.4757 6.585350 178.7283 5.418415 -4.252563      8.527957 
1 1 1 -12 8  7  o 121.1645 4.397551 1254.770       90.98884 1177.982       125.8631 1338.833       131.6899 117.1660 6.313943 125.0960 6.164630 -7.930000      8.824316 
1 1 1 -12 8  8  o 309.6078 6.423763 8203.080       339.6278 8204.310       476.3219 8201.809       484.3924 309.2922 9.018404 309.2213 9.173309 0.7092285E-01  12.86395 
1 1 1 -12 8  9  o 283.6017 5.716938 6880.397       276.8689 6985.815       380.9269 6762.338       403.1182 285.5314 7.812426 280.8490 8.405386 4.682404       11.47539 
1 1 1 -12 8  10 o 144.1867 4.766086 1777.605       117.3516 1700.582       145.4245 1921.394       198.6965 140.9681 6.041084 149.5256 7.808762 -8.557541      9.872764 
1 1 1 -12 8  11 o 266.8805 4.671551 6090.371       212.9021 5791.866       265.3033 6630.324       356.8164 260.1370 5.972258 278.1360 7.512519 -17.99908      9.597177 
1 1 1 -12 8  12 o 263.1396 4.647770 5921.575       208.8492 5779.817       262.5370 6165.895       344.6648 259.8423 5.916687 268.1667 7.526450 -8.324310      9.573643 
1 1 1 -12 8  13 o 404.5477 6.505900 14022.33       449.4476 14391.85       552.1820 13296.95       773.6594 409.5075 7.896205 392.4857 11.54314 17.02188       13.98550 
1 1 1 -12 8  14 o 124.4755 5.496361 1326.662       116.8318 1222.886       175.6450 1409.010       156.4637 118.9445 8.708005 127.9536 7.189898 -9.009094      11.29265 
1 1 1 -12 8  15 o 207.5621 4.321836 3685.726       153.1857 3749.172       192.1064 3574.943       253.8495 209.2282 5.376749 204.0496 7.285151 5.178574       9.054438 
1 1 1 -12 8  16 o 173.3958 4.505201 2573.363       133.3996 2524.495       167.1000 2659.236       221.5093 171.6166 5.701841 175.9082 7.374016 -4.291550      9.321325 
1 1 1 -12 8  17 f 139.5912 4.112839 1667.472       98.03959 1633.184       124.0779 1724.455       159.9550 138.0503 5.263267 141.7060 6.610095 -3.655777      8.449575 
1 1 1 -12 8  18 o 112.8302 5.183800 1091.228       99.87930 995.0221       145.1212 1177.813       137.6742 107.1673 7.987234 116.8413 6.931052 -9.674011      10.57523 
1 1 1 -12 8  19 o 263.6770 5.087340 5961.524       229.0683 5683.785       282.7533 6491.916       390.7390 257.1343 6.439404 274.1778 8.345505 -17.04349      10.54103 
1 1 1 -12 8  20 o 174.1451 4.319172 2598.056       128.4439 2542.523       159.3348 2701.114       217.0602 172.1084 5.421339 177.0445 7.179524 -4.936096      8.996470 
1 1 1 -12 8  21 o 101.1828 4.559525 877.7227       78.78218 891.0830       98.46618 853.9554       131.3310 101.6780 5.693871 99.11501 7.822953 2.562996       9.675679 
1 1 1 -12 8  22 o 45.59609 13.54730 187.5777       113.1877 161.5718       119.7523 405.4588       346.6231 43.18479 14.11110 67.35373 23.95845 -24.16894      27.80523 
1 1 1 -12 8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 8  24 o 131.7051 4.832124 1489.220       108.6783 1504.642       136.4828 1462.498       179.6540 132.1810 6.046541 129.6201 8.158002 2.560852       10.15449 
1 1 1 -12 8  25 o 85.08155 5.677676 625.9335       82.01755 644.5143       102.9874 593.7153       135.6130 86.04813 7.071308 81.80475 9.910000 4.243385       12.17421 
1 1 1 -12 8  26 o 90.73296 5.870480 713.3337       90.47052 735.5658       101.7162 629.1386       197.9444 91.98708 6.517515 82.12704 14.65155 9.860039       16.03577 
1 1 1 -12 8  27 o 59.84137 8.244323 319.3140       82.01112 338.7872       98.27602 274.6491       148.8374 61.18748 9.731400 53.46317 15.43934 7.724308       18.25030 
1 1 1 -12 8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 8  29 o 63.85958 7.446570 363.7098       79.68030 343.1737       95.88301 409.5448       143.2458 61.22025 9.477870 65.05882 13.34138 -3.838573      16.36528 
1 1 1 -12 8  30 o 79.08344 6.369375 552.3478       85.28781 493.4234       98.22620 732.8654       171.9252 74.06392 7.887756 87.96329 11.73846 -13.89938      14.14242 
1 1 1 -12 8  31 o 62.55634 7.026067 351.5293       73.75801 392.2588       87.37467 250.5405       137.5839 65.68240 7.951955 48.98806 15.02033 16.69434       16.99541 
1 1 1 -12 8  32 o 85.73284 6.813694 660.9478       98.93155 629.1755       106.9138 850.2034       260.9362 83.11773 7.617217 85.31629 18.44740 -2.198563      19.95817 
1 1 1 -12 8  33 o 64.44881 7.701513 384.3216       83.08151 436.4022       102.3032 283.4381       142.3840 67.76629 9.067788 49.77773 15.28305 17.98856       17.77066 
1 1 1 -12 8  34 o 38.17933 11.74699 153.0197       84.06817 182.1854       107.7228 107.5844       134.4520 40.69587 13.38776 34.76408 14.23074 5.931789       19.53832 
1 1 1 -12 8  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 9  1  o 233.5269 5.647028 4667.290       225.1950 0.000000       0.000000 4667.290       225.1950 ?        ?        233.5269 5.647028 0.000000       5.647028 
1 1 1 -12 9  2  o 133.5820 4.975192 1526.239       113.4906 1566.237       142.9606 1458.072       186.6308 135.2568 6.189497 130.0824 8.447359 5.174423       10.47224 
1 1 1 -12 9  3  o 196.6039 4.313776 3304.513       144.8277 3147.248       227.9193 3411.017       187.5629 191.6734 6.963337 199.6677 5.500945 -7.994308      8.874033 
1 1 1 -12 9  4  o 81.87125 4.478597 574.7934       62.37724 553.0348       87.56728 597.2076       88.87675 80.11064 6.455821 83.28625 6.295527 -3.175606      9.017278 
1 1 1 -12 9  5  o 275.2423 4.912267 6478.954       230.8868 6450.588       386.6259 6494.678       287.8513 274.2349 8.255937 275.4532 6.119535 -1.218292      10.27663 
1 1 1 -12 9  6  o 204.5281 5.056672 3577.920       176.6118 3545.925       250.1093 3609.740       249.4256 203.4307 7.199650 205.2614 7.115933 -1.830673      10.12282 
1 1 1 -12 9  7  o 201.4366 4.135749 3468.682       142.2638 3796.788       227.8890 3259.164       182.1070 210.5800 6.337301 195.1719 5.463959 15.40814       8.367571 
1 1 1 -12 9  8  o 307.1948 5.300337 8073.803       278.0476 8667.211       455.6132 7721.645       350.9849 317.7995 8.395397 300.2178 6.846208 17.58167       10.83297 
1 1 1 -12 9  9  o 297.9270 4.930791 7592.619       250.8583 6916.118       405.9233 8010.632       319.0840 283.8530 8.374301 305.8678 6.108989 -22.01480      10.36574 
1 1 1 -12 9  10 o 58.38441 5.508678 294.3439       54.27282 276.5264       64.19481 338.9929       101.6209 56.39942 6.802691 62.00573 9.932595 -5.606304      12.03881 
1 1 1 -12 9  11 o 118.7106 4.319370 1205.213       87.56123 1257.757       109.1908 1110.551       146.5596 121.2218 5.274767 113.5069 7.605165 7.714905       9.255362 
1 1 1 -12 9  12 o 486.9633 9.066819 20407.74       753.9684 20112.21       1070.346 20698.82       1062.245 481.4174 13.01968 488.5593 12.73226 -7.141876      18.21051 
1 1 1 -12 9  13 o 249.2881 4.644611 5318.271       197.7210 5188.754       247.8147 5545.136       327.9799 246.0614 5.897685 254.0704 7.559468 -8.008957      9.587921 
1 1 1 -12 9  14 o 312.4339 5.290950 8362.090       282.2889 8345.496       354.2783 8390.944       467.1774 311.8268 6.653180 312.0808 8.766229 -0.2540588     11.00507 
1 1 1 -12 9  15 o 61.25649 5.831922 324.6617       60.26860 316.3707       73.68362 341.4208       104.7590 60.23193 7.313829 62.03287 10.24715 -1.800941      12.58953 
1 1 1 -12 9  16 o 93.88534 4.619137 754.8459       74.05605 648.3343       89.19410 991.2172       132.8724 86.70850 6.061969 107.1033 7.308552 -20.39485      9.495389 
1 1 1 -12 9  17 o 118.7448 4.513081 1207.694       91.51441 1313.692       112.9588 1005.241       156.1113 123.7686 5.344510 107.5702 8.569548 16.19833       10.09955 
1 1 1 -12 9  18 o 43.68674 7.779053 169.4188       55.90610 125.3628       66.38981 276.8167       103.6566 37.37893 10.14255 55.38032 11.34230 -18.00139      15.21575 
1 1 1 -12 9  19 f 43.43216 8.034346 168.0065       57.39390 167.9990       67.42101 168.0263       109.3805 43.19557 9.406674 43.55972 13.39874 -0.3641548     16.37106 
1 1 1 -12 9  20 o 207.1324 3.904898 3674.366       138.1210 3595.492       160.3840 3900.787       271.7395 204.7797 4.586401 212.5612 7.486295 -7.781464      8.779504 
1 1 1 -12 9  21 o 98.76125 10.83953 863.0795       179.8039 860.9478       196.3692 874.1392       447.2796 98.27427 11.94698 92.71211 26.76204 5.562157       29.30763 
1 1 1 -12 9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 9  23 o 108.1130 5.127613 1004.168       94.66619 993.8821       113.0188 1028.352       173.2984 107.2320 6.198411 108.2210 9.472765 -0.9889908     11.32049 
1 1 1 -12 9  24 o 90.50624 5.952870 708.7367       91.49066 777.6823       107.3191 525.3434       175.0313 94.66733 6.681476 75.47836 14.09818 19.18897       15.60131 
1 1 1 -12 9  25 f 35.14653 10.87897 109.5101       71.98028 105.9988       82.20450 121.0505       149.0298 35.21544 11.70037 40.98630 15.51580 -5.770866      19.43293 
1 1 1 -12 9  26 o 142.1743 4.992900 1742.391       121.2204 1698.910       148.4729 1829.322       209.9352 140.0273 6.209156 144.1242 8.568542 -4.096878      10.58175 
1 1 1 -12 9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 9  28 o 99.32392 5.106681 856.7891       86.32226 729.8882       101.5577 1187.140       163.8582 91.14200 6.569220 115.4001 8.371923 -24.25814      10.64161 
1 1 1 -12 9  29 o 40.94412 9.801634 157.9417       67.62128 118.5474       74.48657 342.5808       161.2585 35.63895 11.07258 57.54928 15.88732 -21.91032      19.36515 
1 1 1 -12 9  30 f 104.0695 5.123127 943.9047       91.04594 813.3444       109.6968 1232.968       163.2243 95.67764 6.757460 116.8378 8.233541 -21.16013      10.65150 
1 1 1 -12 9  31 o 20.17127 8.823256 -4.469976      57.76930 -33.19004      65.47704 96.42707       122.7257 19.38375 8.858079 34.87848 13.83304 -15.49473      16.42616 
1 1 1 -12 9  32 o 45.64545 8.689154 198.3755       65.25527 226.5228       73.38523 92.03707       142.6379 48.57609 9.183218 34.97878 14.52141 13.59731       17.18147 
1 1 1 -12 9  33 o 54.98162 8.284904 285.7043       75.37229 358.4451       98.32829 182.0699       117.3658 60.56979 9.844562 40.79074 13.98149 19.77905       17.09963 
1 1 1 -12 9  34 f 56.05494 9.203252 308.1743       85.03793 322.1238       106.3197 283.4038       141.6771 55.27967 11.63115 48.02569 15.31876 7.253983       19.23403 
1 1 1 -12 10 1  o 193.9977 4.173558 3218.859       138.2627 3265.320       224.0443 3190.281       175.7129 195.1292 6.723722 193.0314 5.330571 2.097778       8.580409 
1 1 1 -12 10 2  o 69.65527 4.659650 416.9619       55.10574 401.3625       80.78431 430.5370       75.36064 68.04242 7.055107 70.59845 6.317760 -2.556030      9.470407 
1 1 1 -12 10 3  o 55.75407 5.254409 268.4317       49.43670 223.1515       71.44447 310.0297       68.47796 50.25526 8.636263 59.74584 6.834815 -9.490582      11.01362 
1 1 1 -12 10 4  o 383.4911 9.750999 12664.83       638.5668 12637.63       692.1835 12820.27       1654.738 382.7868 10.58918 375.4834 25.96643 7.303406       28.04258 
1 1 1 -12 10 5  o 349.0305 6.409903 10440.13       382.0470 11011.46       550.2899 9908.497       530.8276 357.8104 9.006098 339.3753 9.159492 18.43515       12.84547 
1 1 1 -12 10 6  o 50.65951 6.015256 222.9164       51.02066 171.3378       63.21490 319.3005       86.41469 43.88169 8.742976 60.34971 8.630966 -16.46802      12.28549 
1 1 1 -12 10 7  o 286.9789 4.469847 7045.008       219.0507 7277.212       358.1269 6906.205       276.8856 291.2377 7.200910 283.9708 5.709851 7.266937       9.189968 
1 1 1 -12 10 8  o 120.3912 3.793545 1239.268       77.99052 1203.934       104.2964 1284.088       117.4646 118.5930 5.150012 122.4474 5.617661 -3.854424      7.621072 
1 1 1 -12 10 9  o 57.23838 5.786049 283.5239       55.77844 304.5260       72.28686 252.6169       87.69144 59.11753 7.316725 53.27790 10.00590 5.839630       12.39567 
1 1 1 -12 10 10 o 216.2209 4.061368 3998.864       149.9588 4048.971       210.2611 3946.990       213.9343 217.3898 5.663929 214.6117 5.837477 2.778076       8.133648 
1 1 1 -12 10 11 o 85.51448 5.987764 629.9834       86.88749 612.7426       137.0718 641.5641       112.3406 83.70705 9.773234 86.04929 7.727561 -2.342232      12.45919 
1 1 1 -12 10 12 o 129.4846 4.408312 1434.953       97.47482 1371.700       122.6711 1543.301       160.5504 126.4999 5.678716 133.8553 7.048669 -7.355423      9.051605 
1 1 1 -12 10 13 o 264.8465 4.850571 6007.406       219.3760 5954.185       274.8972 6100.740       364.0376 263.4350 6.110756 266.1963 8.008336 -2.761322      10.07347 
1 1 1 -12 10 14 o 165.4342 3.962386 2341.904       111.9397 2180.906       141.2280 2613.978       183.5918 159.5228 5.184371 174.5109 6.160680 -14.98810      8.051812 
1 1 1 -12 10 15 o 84.74993 4.516545 616.8946       65.12956 711.6647       80.18858 433.1938       111.6432 90.96501 5.183681 70.12366 9.573342 20.84135       10.88666 
1 1 1 -12 10 16 o 268.2871 4.865320 6169.576       222.9016 6120.166       274.5301 6265.166       381.8490 266.9359 6.022559 269.3633 8.301398 -2.427460      10.25595 
1 1 1 -12 10 17 o 55.93495 5.579134 271.2366       52.57973 265.6902       61.60933 286.1082       100.8831 55.17326 6.674820 56.39672 10.86933 -1.223461      12.75522 
1 1 1 -12 10 18 o 104.8215 4.410480 941.6218       78.94750 925.4683       97.98991 971.5034       133.2751 103.6606 5.555834 105.8643 7.419092 -2.203712      9.268777 
1 1 1 -12 10 19 f 189.6145 4.307841 3081.459       139.4868 3100.994       169.2945 3040.162       246.1421 190.0475 5.216496 187.5691 7.684624 2.478333       9.287910 
1 1 1 -12 10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 10 22 o 107.3639 4.331090 988.6343       79.40674 932.9106       89.54980 1193.661       171.7710 104.2127 5.032015 116.8862 8.667420 -12.67342      10.02224 
1 1 1 -12 10 23 o 192.0429 3.957829 3161.795       129.7948 2942.600       147.4479 3916.305       273.5617 185.1207 4.664249 212.6034 7.534998 -27.48277      8.861795 
1 1 1 -12 10 24 o 62.70081 6.292867 343.0887       66.46980 325.8053       70.96800 466.6076       189.7207 60.93972 6.943599 69.87634 16.21285 -8.936611      17.63718 
1 1 1 -12 10 25 o 36.53183 11.20632 120.4455       76.57314 112.2221       90.04762 141.9221       145.5219 36.15327 12.24739 41.97154 15.44213 -5.818264      19.70934 
1 1 1 -12 10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 10 27 o 29.97313 10.08668 77.44074       61.07349 62.63166       65.64278 172.8418       166.6093 28.47752 10.38738 44.38607 16.48693 -15.90855      19.48632 
1 1 1 -12 10 28 o 66.24046 6.402350 388.0767       71.51804 361.1573       82.34277 470.7473       144.3008 63.36570 7.772711 69.93048 12.54462 -6.564785      14.75745 
1 1 1 -12 10 29 o 78.25042 5.712458 538.6015       75.80546 600.1380       88.24654 365.3434       148.0738 82.35579 6.323092 59.63086 14.64741 22.72493       15.95393 
1 1 1 -12 10 30 o 87.31219 5.462426 671.4574       81.03502 658.8881       91.59074 716.7539       173.8712 86.07061 6.274753 85.28708 12.29337 0.7835312      13.80215 
1 1 1 -12 10 31 o 47.57971 8.121371 212.1207       63.61779 188.6350       69.96460 324.2339       152.8638 44.08926 9.567562 53.38724 15.71319 -9.297977      18.39681 
1 1 1 -12 10 32 o 44.44921 7.927150 186.2530       57.96377 213.0500       67.20122 108.3840       114.5556 47.20804 8.654984 34.45575 13.45633 12.75229       15.99943 
1 1 1 -12 10 33 o 19.59444 8.527285 2.070527       53.35431 -20.27561      61.79775 67.49659       105.7418 19.21584 8.712976 30.22697 12.52208 -11.01112      15.25511 
1 1 1 -12 11 1  f 66.48047 4.853721 380.4298       54.72162 354.6067       82.31668 400.8778       73.25041 63.76279 7.717043 68.06063 6.376831 -4.297844      10.01083 
1 1 1 -12 11 2  o 315.8803 6.384240 8560.349       344.3766 8614.682       497.1582 8510.231       477.4817 316.0676 9.211126 314.2494 8.897754 1.818237       12.80683 
1 1 1 -12 11 3  o 231.5892 5.143707 4593.476       203.4213 4616.811       292.6675 4571.667       282.9413 231.7983 7.393709 230.7033 7.181919 1.094940       10.30761 
1 1 1 -12 11 4  o 315.7491 6.527025 8554.437       351.9325 7783.363       1672.560 8590.157       359.9920 280.6896 35.70217 316.3750 6.663291 -35.68536      36.31865 
1 1 1 -12 11 5  o 246.4569 5.793306 5206.449       243.8200 5305.635       340.6874 5102.309       349.0934 248.3493 8.033249 243.4604 8.396752 4.888885       11.62061 
1 1 1 -12 11 6  o 239.4374 4.284968 4905.575       175.2029 4929.888       285.5100 4890.890       221.8942 239.6051 6.977876 238.9219 5.438610 0.6832275      8.846991 
1 1 1 -12 11 7  o 18.48282 7.709363 5.722877       40.47354 11.89025       48.61634 -8.203572      73.05542 20.78253 8.538062 23.25312 10.04857 -2.470592      13.18606 
1 1 1 -12 11 8  o 353.4226 5.345537 10702.35       322.6172 11224.27       536.2791 10406.34       403.8727 360.8999 8.701662 348.1272 6.793674 12.77274       11.03961 
1 1 1 -12 11 9  o 193.1458 5.674189 3198.231       187.1505 3044.957       274.6033 3331.174       255.7435 187.9754 8.554659 196.8003 7.609865 -8.824844      11.44955 
1 1 1 -12 11 10 o 188.6315 3.833142 3043.974       123.4727 3160.742       174.2934 2926.335       174.9419 192.0442 5.314690 184.7555 5.544910 7.288696       7.680622 
1 1 1 -12 11 11 f 211.9417 3.786232 3842.914       137.0331 3667.143       195.3781 4013.098       192.2481 206.8071 5.532335 216.3948 5.202515 -9.587692      7.594267 
1 1 1 -12 11 12 o 88.38029 4.631865 670.8511       69.66258 625.5142       86.80727 752.8655       116.7550 85.15807 6.007905 93.24283 7.393218 -8.084755      9.526521 
1 1 1 -12 11 13 o 134.4242 4.254228 1547.235       97.65625 1697.515       122.3277 1283.169       162.1556 140.7151 5.090753 121.7600 7.840439 18.95510       9.348168 
1 1 1 -12 11 14 o 223.9168 4.474969 4295.162       171.1113 4278.058       216.0113 4323.973       280.3547 223.2487 5.666119 224.0465 7.327701 -0.7978058     9.262835 
1 1 1 -12 11 15 o 70.38833 4.630909 426.4557       55.35249 411.0700       67.91284 456.9030       95.53615 68.93783 5.823383 72.34541 7.859556 -3.407585      9.781841 
1 1 1 -12 11 16 o 299.4862 5.141781 7696.162       262.9616 7655.437       323.6567 7775.256       451.0475 298.3051 6.353631 299.5904 8.816423 -1.285217      10.86729 
1 1 1 -12 11 17 o 81.54015 4.813957 572.2788       66.73375 613.3477       77.47769 454.2356       131.3532 84.33956 5.408019 71.26974 11.15895 13.06982       12.40036 
1 1 1 -12 11 18 o 244.3264 16.71142 5417.060       693.0601 5582.937       844.3862 5074.595       1213.263 244.5825 20.40309 218.3697 33.61388 26.21280       39.32148 
1 1 1 -12 11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 11 20 o 330.5129 5.701256 9395.691       321.7813 9274.656       395.9115 9631.249       552.3217 327.7327 7.074185 332.3179 9.732770 -4.585205      12.03208 
1 1 1 -12 11 21 o 129.0809 4.474402 1429.640       98.62770 1350.468       108.3234 1813.453       238.5052 125.3703 5.059709 143.7498 9.774076 -18.37949      11.00605 
1 1 1 -12 11 22 o 116.9487 4.281917 1173.628       85.51365 1054.934       94.86641 1688.109       197.5075 110.7749 5.014981 139.0539 8.356395 -28.27905      9.745736 
1 1 1 -12 11 23 o 123.5195 3.950302 1309.348       83.32354 1227.781       92.19991 1672.824       194.6314 119.5169 4.517512 138.1962 8.285595 -18.67932      9.437108 
1 1 1 -12 11 24 o 44.79828 7.190465 179.0346       53.14660 190.7259       55.63515 57.04847       179.7103 46.24314 7.286498 38.71557 16.20498 7.527573       17.76779 
1 1 1 -12 11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 11 26 o 63.09975 5.729794 348.8863       61.06717 310.8736       67.00179 535.3987       148.4144 59.23742 6.743711 75.54955 11.89733 -16.31214      13.67567 
1 1 1 -12 11 27 o 94.62223 4.488498 774.7043       72.52641 782.9254       81.15868 742.1079       161.6042 94.83711 5.029325 89.32580 10.81468 5.511314       11.92692 
1 1 1 -12 11 28 o 29.81271 9.036376 81.82611       49.99070 72.95054       52.69394 161.7330       158.1083 28.57755 9.361596 42.08078 15.96910 -13.50322      18.51085 
1 1 1 -12 11 29 o 32.87906 8.725830 102.2953       49.80547 72.47130       53.95043 274.3185       129.5703 28.38394 9.480588 51.06172 14.29405 -22.67778      17.15230 
1 1 1 -12 11 30 o 68.40838 5.851229 417.4432       67.69543 400.4019       76.87543 476.2868       142.8517 66.45605 6.873423 68.17072 12.73959 -1.714668      14.47553 
1 1 1 -12 11 31 o 35.45581 8.501859 121.0958       50.81026 80.50710       57.06696 276.3463       111.6089 29.23636 9.750307 51.00992 12.82599 -21.77356      16.11132 
1 1 1 -12 11 32 o 35.55099 9.320998 125.8616       57.28063 94.57603       66.43517 216.4970       113.0771 31.01724 10.51972 43.76105 13.65026 -12.74381      17.23352 
1 1 1 -12 12 1  o 139.7342 4.408037 1671.832       105.1840 1812.216       152.8958 1545.697       144.9292 145.2890 6.162554 134.1610 6.325975 11.12798       8.831479 
1 1 1 -12 12 2  o 111.7683 4.626035 1069.882       88.29366 1019.230       134.6641 1108.075       116.9363 108.6041 7.303575 113.4633 6.057110 -4.859154      9.488456 
1 1 1 -12 12 3  o 202.2524 4.305506 3501.880       148.7030 3421.972       242.9619 3549.742       188.0353 199.4751 7.132596 203.4749 5.411610 -3.999863      8.953181 
1 1 1 -12 12 4  o 87.82559 4.474444 662.1627       66.88375 650.4439       99.42020 671.8510       90.39801 86.74126 6.765417 88.27480 6.032949 -1.533531      9.064621 
1 1 1 -12 12 5  f 145.9350 4.827246 1824.437       120.2987 1382.435       337.2412 1888.880       128.7700 123.9725 16.32710 148.4637 5.079166 -24.49124      17.09889 
1 1 1 -12 12 6  o 172.1831 4.923667 2540.184       144.7708 2282.925       196.3496 2846.629       214.2998 162.9331 7.056977 181.9695 6.896380 -19.03635      9.867167 
1 1 1 -12 12 7  f 106.6682 6.422585 980.8495       116.4439 916.3703       244.0220 999.8609       132.5030 101.1042 14.55311 107.5605 7.256330 -6.456352      16.26184 
1 1 1 -12 12 8  o 219.0866 3.803822 4107.183       142.3108 3930.217       203.1906 4277.573       199.3793 214.0519 5.558818 223.3703 5.227001 -9.318420      7.630334 
1 1 1 -12 12 9  o 205.6429 3.823896 3618.901       134.2832 3717.625       191.9298 3524.236       187.9432 208.1968 5.398418 202.7041 5.429529 5.492691       7.656546 
1 1 1 -12 12 10 o 55.21183 5.628000 264.2605       52.32063 228.8712       67.12294 319.0534       83.52141 50.92379 7.981023 60.24402 8.342516 -9.320236      11.54532 
1 1 1 -12 12 11 o 87.19697 4.256227 651.1454       63.37648 613.8062       82.95609 703.4905       98.22086 84.35665 5.793860 90.23940 6.415707 -5.882751      8.644657 
1 1 1 -12 12 12 o 156.2179 4.566899 2091.229       121.8300 2226.568       154.8477 1871.337       197.3779 161.0428 5.630687 147.0475 7.889093 13.99533       9.692389 
1 1 1 -12 12 13 o 145.5964 4.129709 1815.574       102.6768 1870.250       131.2324 1729.277       164.8707 147.6386 5.205223 141.7186 6.812628 5.919952       8.573578 
1 1 1 -12 12 14 o 91.27412 4.632302 716.0400       71.96486 674.0975       85.05161 821.7506       135.0251 88.40665 5.663507 97.14880 8.216102 -8.742149      9.978960 
1 1 1 -12 12 15 o 120.8383 4.217285 1251.190       87.02408 1313.105       110.1535 1148.375       141.9471 123.6760 5.215678 115.1469 7.256034 8.529114       8.936069 
1 1 1 -12 12 16 o 33.65208 14.62810 -14.19935      156.6489 51.46352       168.5502 -430.5221      424.4088 38.44310 15.85773 43.87997 20.84974 -5.436878      26.19502 
1 1 1 -12 12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 12 18 f 121.1510 4.783232 1259.553       98.95785 1248.077       121.2701 1282.424       171.1969 120.4404 5.896299 121.3602 8.310756 -0.9197464     10.18995 
1 1 1 -12 12 19 o 121.6184 5.055046 1270.634       104.9847 1284.834       125.2643 1237.115       192.4534 122.1433 6.005588 118.7138 9.574849 3.429489       11.30243 
1 1 1 -12 12 20 o 67.53788 6.089138 396.2632       69.47197 401.2881       76.29744 371.8877       168.0429 67.85371 6.670906 62.85820 15.70118 4.995510       17.05954 
1 1 1 -12 12 21 o 77.49998 5.316681 519.5588       69.93751 478.5186       76.93123 714.9893       167.8781 74.20033 6.126270 89.19752 11.27318 -14.99718      12.83026 
1 1 1 -12 12 22 o 59.17929 6.277304 306.5113       62.46878 295.8664       66.27686 391.2397       186.9846 58.00377 6.821518 63.34580 16.95185 -5.342033      18.27288 
1 1 1 -12 12 23 o 48.28519 6.751424 206.7021       54.14619 182.3796       56.74713 453.9366       180.9231 45.06725 7.646964 68.10456 15.85344 -23.03731      17.60135 
1 1 1 -12 12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 12 25 o 88.12529 4.578400 672.9429       68.66219 679.6267       76.03060 643.3871       159.8806 88.42178 5.056311 83.00237 11.59655 5.419411       12.65094 
1 1 1 -12 12 26 o 64.48615 4.683817 362.1671       51.22638 367.4828       54.76778 325.0056       144.8074 64.87764 4.981456 56.56972 14.81458 8.307919       15.62968 
1 1 1 -12 12 27 o 111.8957 3.845905 1081.446       73.48753 1057.645       81.10059 1190.663       173.7281 110.5000 4.297936 114.2489 8.976925 -3.748932      9.952760 
1 1 1 -12 12 28 o 43.16188 5.783355 166.6810       41.55484 146.2135       43.75197 355.2491       132.8005 40.09720 6.620812 58.74750 13.51837 -18.65030      15.05262 
1 1 1 -12 12 29 o 13.78530 6.669950 -71.95592      48.06443 -116.7733      52.15126 180.8407       123.8589 12.73734 6.317233 41.38359 14.35300 -28.64626      15.68171 
1 1 1 -12 12 30 o 36.03524 13.37724 128.1308       109.6546 243.8349       168.1584 42.53223       144.6363 45.46389 16.61898 31.98574 13.97687 13.47815       21.71505 
1 1 1 -12 12 31 o 35.10055 13.13727 125.5294       106.1817 132.3804       168.3276 121.0017       136.8423 37.17637 15.62882 35.55893 14.43285 1.617439       21.27363 
1 1 1 -12 13 1  o 74.44709 5.038397 477.3917       63.67626 495.2826       94.05052 462.2499       86.52332 75.46531 7.393085 72.94695 7.032963 2.518356       10.20393 
1 1 1 -12 13 2  o 114.6424 4.809323 1126.512       94.15239 1032.700       129.7567 1230.827       136.8277 109.3148 6.987565 119.4266 6.736710 -10.11173      9.706148 
1 1 1 -12 13 3  o 77.77362 5.347513 521.3353       70.58931 436.5869       99.47520 607.2979       100.1853 70.61061 8.415574 83.69707 7.075874 -13.08646      10.99499 
1 1 1 -12 13 4  o 36.26343 9.643586 118.0237       60.75355 83.03452       85.83571 153.1482       86.00153 33.26119 11.91269 41.32295 11.67285 -8.061760      16.67836 
1 1 1 -12 13 5  o 189.2646 6.766497 3081.951       218.6932 3303.511       515.3163 3033.282       241.5215 192.1318 15.84767 187.5921 7.539444 4.539780       17.54970 
1 1 1 -12 13 6  o 129.7878 5.127800 1444.665       113.6493 1593.667       334.8124 1425.261       120.8230 133.3822 14.95712 128.8715 5.490231 4.510666       15.93293 
1 1 1 -12 13 7  o 125.6770 4.751163 1353.838       101.9666 1308.919       130.8745 1423.225       162.6577 123.2473 6.238675 128.2843 7.457223 -5.037025      9.722717 
1 1 1 -12 13 8  o 106.7532 3.900076 975.6445       71.09773 1019.472       98.43582 927.8437       102.8009 109.0030 5.288261 103.7747 5.824555 5.228249       7.867093 
1 1 1 -12 13 9  o 170.3511 3.596914 2483.539       104.6350 2593.258       150.1561 2379.968       145.8886 173.8764 5.057088 166.5615 5.129143 7.314850       7.202933 
1 1 1 -12 13 10 o 138.9256 3.725595 1652.150       88.38522 1733.001       123.8699 1568.292       126.1526 142.1248 5.103801 135.1547 5.465918 6.970169       7.478305 
1 1 1 -12 13 11 o 123.1984 3.765207 1299.440       79.21286 1293.480       111.4117 1305.533       112.6463 122.7511 5.315006 123.3174 5.349220 -0.5663376     7.540785 
1 1 1 -12 13 12 o 45.34786 14.29647 181.6442       123.6764 218.5654       152.8596 111.6657       210.4442 49.67414 15.91894 45.32703 18.07080 4.347103       24.08249 
1 1 1 -12 13 13 o 83.75578 14.60037 640.6027       201.2322 926.4825       304.1438 418.0156       268.3719 99.40813 18.60030 66.80788 21.05955 32.60025       28.09761 
1 1 1 -12 13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 13 16 o 148.8096 4.785031 1900.417       121.5955 2097.627       152.7817 1559.652       200.8323 156.1681 5.728980 133.7131 8.845413 22.45502       10.53862 
1 1 1 -12 13 17 o 154.1755 4.765615 2040.515       125.4690 2058.944       154.6098 2004.968       214.7247 154.6591 5.854094 151.7800 8.316143 2.879150       10.16999 
1 1 1 -12 13 18 o 213.9860 5.044750 3935.024       184.3431 3927.410       224.3747 3950.837       323.3612 213.4432 6.155872 212.9766 8.891073 0.4665985      10.81416 
1 1 1 -12 13 19 o 49.44025 7.510707 216.7107       61.41599 223.4293       64.81837 157.7069       192.0875 50.14188 7.825580 46.25496 17.59002 3.886917       19.25223 
1 1 1 -12 13 20 o 53.34497 6.956440 250.9440       61.86157 252.1312       65.51794 241.1893       187.8046 53.36698 7.387397 51.52470 17.68503 1.842278       19.16596 
1 1 1 -12 13 21 o 45.46806 7.212752 184.4076       54.13313 198.6758       58.00337 88.06676       150.7210 47.16892 7.448275 38.30058 15.28569 8.868340       17.00379 
1 1 1 -12 13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 13 23 o 98.31832 4.091333 832.7821       68.69122 760.1809       74.83145 1221.506       173.1541 93.80803 4.671348 116.9490 8.733311 -23.14098      9.904151 
1 1 1 -12 13 24 o 65.03110 5.547242 370.5233       61.01366 379.8597       67.10260 325.9691       146.5863 65.69544 6.049351 56.91725 14.90516 8.778191       16.08597 
1 1 1 -12 13 25 o 46.65329 13.04168 215.4048       107.9393 245.6602       173.1093 196.1592       138.0655 48.94896 16.96883 44.61382 15.16502 4.335136       22.75783 
1 1 1 -12 13 26 o 94.52709 8.297508 811.1022       132.5836 662.7493       227.5686 887.3337       163.1292 77.84824 17.53909 97.69308 9.915775 -19.84483      20.14801 
1 1 1 -12 13 27 o 63.69650 10.54937 390.8155       110.7317 540.7677       177.3054 294.9316       141.7811 71.30832 15.03423 52.19007 15.06810 19.11825       21.28557 
1 1 1 -12 13 28 o 25.45859 11.37133 -10.30947      100.9111 142.7714       164.6989 -102.3157      127.6847 39.14268 15.85257 24.27904 11.50709 14.86364       19.58870 
1 1 1 -12 13 29 o 38.35028 13.33232 153.7948       106.8995 301.7068       206.0511 99.32207       125.0440 48.55671 18.27573 34.26569 13.83549 14.29102       22.92212 
1 1 1 -12 13 30 o 43.39442 12.46881 205.0510       97.29424 381.0488       173.0858 123.7519       117.6388 54.49072 16.87041 35.13892 13.66032 19.35180       21.70749 
1 1 1 -12 14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 12 o 252.2552 4.537945 5456.768       195.4796 5748.241       282.4331 5188.748       270.8315 258.3519 6.401800 245.4371 6.461850 12.91473       9.096073 
1 1 1 -12 14 13 o 143.8607 4.260848 1774.196       104.6743 2062.818       145.7747 1466.978       150.3972 154.9127 5.510527 130.2418 6.785672 24.67090       8.741353 
1 1 1 -12 14 14 o 77.05337 5.011837 512.0039       65.58768 538.6078       78.62041 451.1113       118.9446 78.89548 5.877706 71.20562 10.06234 7.689857       11.65324 
1 1 1 -12 14 15 o 87.21915 4.955105 655.4748       73.49720 639.0316       87.75253 694.1162       134.5217 85.92885 6.018232 88.86777 8.987899 -2.938919      10.81672 
1 1 1 -12 14 16 o 151.0092 4.640701 1958.369       119.6710 1884.364       146.9629 2104.013       206.1687 147.8842 5.819477 155.7204 7.753095 -7.836243      9.694162 
1 1 1 -12 14 17 o 36.37268 7.586336 119.0549       45.59524 89.94756       47.71959 424.3108       154.5353 31.58850 8.610454 67.47243 13.87549 -35.88393      16.33001 
1 1 1 -12 14 18 o 85.20010 5.814857 629.9492       84.09670 650.4234       92.55097 532.9915       201.4040 86.45692 6.312354 74.41148 16.30072 12.04544       17.48026 
1 1 1 -12 14 19 o 93.17915 5.553459 753.2512       87.96460 738.3932       97.73370 816.6258       201.8464 92.05736 6.254138 93.94333 12.92436 -1.885971      14.35804 
1 1 1 -12 14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 14 21 o 17.22185 7.596303 -10.91241      43.63432 5.626293       45.02156 -266.9465      177.1409 19.14971 8.068296 25.91919 12.60238 -6.769478      14.96387 
1 1 1 -12 14 22 o 126.8449 4.279193 1388.691       92.69083 1333.340       102.4837 1637.502       217.2828 124.1069 4.835673 134.6408 9.511523 -10.53390      10.67018 
1 1 1 -12 14 23 o 54.36037 6.268218 262.1066       57.12113 260.6271       62.46026 269.6671       141.1996 53.98314 6.935971 51.51793 15.08442 2.465206       16.60263 
1 1 1 -12 14 24 o 52.79873 12.40936 274.5701       109.9950 387.9304       177.6456 204.0869       140.0770 60.13697 16.70266 45.10676 15.27537 15.03021       22.63439 
1 1 1 -12 14 25 o 62.00189 10.91356 370.2806       111.3309 375.9772       178.5993 366.6602       142.3781 58.06496 16.95450 59.43693 14.21858 -1.371967      22.12743 
1 1 1 -12 14 26 o 75.00379 9.283345 529.1938       116.3624 459.3865       184.1354 575.6057       150.1417 63.39792 16.75528 76.10172 11.94673 -12.70379      20.57824 
1 1 1 -12 14 27 o 36.09138 13.08604 128.0421       103.9572 -40.74384      168.6506 231.4723       132.0211 30.26258 13.97025 45.63396 14.81171 -15.37137      20.36061 
1 1 1 -12 14 28 o 37.55804 12.98633 147.4082       101.3571 190.1172       171.1683 124.3462       125.7799 41.39279 16.36191 35.96783 14.08539 5.424957       21.58959 
1 1 1 -12 14 29 o 27.41081 11.74178 35.61948       98.09319 145.2880       207.3694 4.005725       111.3376 38.50315 16.78262 26.65975 11.92345 11.84341       20.58701 
1 1 1 -12 15 1  o 43.29722 10.95563 170.2856       81.06802 0.000000       0.000000 170.2856       81.06802 ?        ?        43.29722 10.95563 0.000000       10.95563 
1 1 1 -12 15 2  o 46.91707 9.667065 198.3057       74.87437 225.1254       87.82733 126.9613       143.2459 49.86401 10.63861 41.52032 15.31407 8.343693       18.64673 
1 1 1 -12 15 3  o 59.93618 6.369196 312.6920       64.19028 199.7262       91.44630 422.4186       90.12565 46.82133 11.51675 69.49760 7.724812 -22.67627      13.86753 
1 1 1 -12 15 4  o 43.73059 9.325799 172.3333       67.51670 182.8749       95.13416 161.6355       95.83578 44.84196 12.13029 42.40900 12.43010 2.432968       17.36812 
1 1 1 -12 15 5  o 86.01924 5.329484 637.9316       77.90025 633.9164       118.7256 640.9669       103.2281 85.17372 8.266872 85.90575 7.100422 -0.7320328     10.89758 
1 1 1 -12 15 6  o 164.1910 5.404296 2316.059       151.5271 2181.413       204.2968 2480.707       225.9135 158.8876 7.529556 169.3606 7.811382 -10.47299      10.84951 
1 1 1 -12 15 7  o 242.4277 4.521298 5040.096       187.1748 4913.527       278.5526 5144.292       252.7366 238.6953 6.833789 244.4977 6.053289 -5.802460      9.129237 
1 1 1 -12 15 8  o 19.22459 8.570246 -21.83134      57.02275 -72.56203      71.16109 69.18837       95.31799 18.70872 8.781434 32.66166 12.39805 -13.95293      15.19293 
1 1 1 -12 15 9  o 207.0699 5.121941 3682.440       181.1146 3698.855       226.0422 3653.004       302.6954 207.1968 6.388582 205.1439 8.640627 2.052902       10.74590 
1 1 1 -12 15 10 o 86.55037 5.151228 645.7175       75.79037 703.0637       101.2773 572.7253       114.2610 90.05413 6.632445 80.83734 8.399872 9.216789       10.70267 
1 1 1 -12 15 11 o 187.4129 4.316106 3012.309       138.1318 3096.202       200.2386 2936.139       190.7989 189.5627 6.185759 184.6337 6.051498 4.928970       8.653568 
1 1 1 -12 15 12 o 130.4991 4.361805 1461.159       97.20210 1617.710       135.3289 1294.321       139.7046 137.0608 5.781962 122.2389 6.718449 14.82195       8.863895 
1 1 1 -12 15 13 o 153.2726 4.374013 2016.543       114.4845 2179.313       157.3212 1833.314       166.9155 159.0212 5.793357 145.6219 6.712248 13.39928       8.866637 
1 1 1 -12 15 14 o 35.44845 9.315350 114.0857       57.12640 138.5475       62.96574 0.2482568      135.8319 38.99198 9.535614 31.85116 13.73306 7.140820       16.71900 
1 1 1 -12 15 15 o 151.4339 5.008525 1974.730       129.5194 1944.090       150.8185 2060.814       252.7946 150.0124 5.887428 152.6293 9.749927 -2.616943      11.38960 
1 1 1 -12 15 16 o 127.4196 5.441238 1402.062       118.3957 1462.459       139.0554 1242.890       225.7426 129.8956 6.268903 117.2734 11.41705 12.62218       13.02491 
1 1 1 -12 15 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 15 19 o 96.33791 5.353298 806.7056       87.72124 797.5612       102.3098 832.0880       170.4525 95.46137 6.311689 95.44480 10.63906 0.1657104E-01  12.37041 
1 1 1 -12 15 20 o 36.02998 9.378982 120.8265       58.26782 107.2402       64.26697 183.5759       138.1154 34.09856 10.22570 44.12087 15.16481 -10.02231      18.29034 
1 1 1 -12 15 21 o 52.08348 6.888645 242.5870       59.76483 213.0040       66.05270 376.1508       140.3504 48.26115 8.314905 61.70824 13.67814 -13.44709      16.00716 
1 1 1 -12 15 22 o 73.98520 4.547386 476.1982       57.17414 447.8667       61.97378 638.1454       148.1700 71.56938 5.104289 82.47734 10.77796 -10.90796      11.92553 
1 1 1 -12 15 23 o 49.25101 12.83626 244.2077       109.0553 217.3272       177.5661 260.4881       138.1889 46.03934 17.03637 49.81268 15.00739 -3.773335      22.70374 
1 1 1 -12 15 24 o 45.20460 14.04834 214.4185       119.8938 -82.34512      175.6927 473.0576       164.0195 29.93964 13.96997 66.76958 14.77612 -36.82994      20.33455 
1 1 1 -12 15 25 o 49.02732 13.40931 255.3400       115.5034 385.6085       212.6228 200.8041       137.5724 55.16041 18.81904 43.08090 15.11623 12.07951       24.13828 
1 1 1 -12 15 26 o 26.85920 11.74213 12.98621       102.1868 168.0833       168.5112 -77.21987      128.5123 40.44475 16.15567 25.17823 11.81258 15.26652       20.01357 
1 1 1 -12 15 27 o 27.89343 12.04163 30.82091       104.6958 111.8989       209.0834 3.688507       120.9518 37.74485 16.63954 27.74672 12.41731 9.998137       20.76208 
1 1 1 -12 15 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 16 1  o 81.63442 5.188386 575.7646       71.95266 483.1593       109.3319 646.5167       95.56486 73.89214 8.840062 86.23883 6.537867 -12.34669      10.99502 
1 1 1 -12 16 2  o 97.75806 4.945674 823.7036       82.29346 803.7889       133.2797 835.9740       104.6178 95.77567 8.228959 98.20847 6.270863 -2.432793      10.34599 
1 1 1 -12 16 3  o 15.07197 7.311485 -98.05170      58.71891 -1.980848      81.98034 -199.2608      84.14409 24.91434 10.70494 16.11753 7.998868 8.796801       13.36329 
1 1 1 -12 16 4  o 136.9503 4.441424 1610.051       103.8693 1432.946       161.3700 1735.336       135.7234 128.3862 7.391645 141.9542 5.598926 -13.56799      9.272777 
1 1 1 -12 16 5  o 118.7687 4.742213 1211.837       96.18008 1256.813       149.8486 1180.327       125.4253 120.2281 7.333759 116.7739 6.313261 3.454109       9.676843 
1 1 1 -12 16 6  o 68.26789 6.226526 405.4213       71.78932 359.5352       102.6300 449.3838       100.4557 63.37203 9.799867 71.39127 8.400727 -8.019241      12.90773 
1 1 1 -12 16 7  o 219.6632 4.446329 4142.959       166.7865 3952.394       250.8057 4294.049       223.3226 213.7274 6.871876 223.1756 5.859817 -9.448212      9.031064 
1 1 1 -12 16 8  o 22.47980 9.542623 3.660959       63.74011 -21.34159      73.91548 76.18228       125.8856 22.23052 9.842010 35.88391 14.08013 -13.65339      17.17892 
1 1 1 -12 16 9  o 85.95969 4.997975 637.8297       73.04861 638.8474       104.8205 636.8688       101.8560 85.52255 7.245442 85.44095 7.043799 0.8160400E-01  10.10503 
1 1 1 -12 16 10 o 114.9591 4.367352 1135.360       85.73602 1140.089       124.2043 1131.055       118.4952 114.6322 6.370062 114.2525 6.095442 0.3797607      8.816581 
1 1 1 -12 16 11 o 136.2029 4.200650 1593.651       97.70234 1470.412       136.6644 1722.482       139.7306 130.3815 6.138149 141.2143 5.794433 -10.83281      8.441110 
1 1 1 -12 16 12 o 81.57813 4.969997 575.5487       68.90580 548.4718       89.56381 614.8201       107.8626 79.21972 6.682996 83.62263 7.637762 -4.402908      10.14879 
1 1 1 -12 16 13 o 55.67141 7.065293 274.0048       65.65616 269.4749       76.27471 286.9616       128.9986 54.81881 8.416993 54.87491 13.78422 -0.5610275E-01 16.15087 
1 1 1 -12 16 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 16 16 o 105.2312 5.469382 962.3046       97.94569 1027.838       117.2601 811.0541       178.1425 108.4357 6.360347 93.90675 11.33833 14.52894       13.00045 
1 1 1 -12 16 17 o 115.4662 5.269274 1155.982       103.8981 1170.753       119.9930 1111.731       207.6830 115.7557 6.091761 109.8631 11.22777 5.892548       12.77389 
1 1 1 -12 16 18 o 57.30334 6.861133 292.2076       65.80436 306.9941       71.29108 207.0861       171.0496 58.60937 7.279849 46.65133 16.80510 11.95804       18.31413 
1 1 1 -12 16 19 o 66.82507 5.893934 393.0582       66.56946 409.1556       74.74689 331.3280       146.3738 67.96661 6.520165 57.10732 14.86510 10.85929       16.23218 
1 1 1 -12 16 20 o 85.02818 5.385728 632.9677       77.79653 642.0714       89.58821 605.0523       156.8792 85.30357 6.192298 79.48282 11.92622 5.820755       13.43798 
1 1 1 -12 16 21 o 34.18589 9.202377 110.6104       54.91055 128.1510       58.41796 -22.44371      160.8937 36.73571 9.302636 31.43946 14.17474 5.296255       16.95472 
1 1 1 -12 16 22 o 30.18731 12.47725 50.74051       104.6431 -6.502743      174.5338 82.86573       130.7496 32.79369 14.77638 34.40301 14.05248 -1.609325      20.39151 
1 1 1 -12 16 23 f 44.13332 13.22817 204.5929       107.5682 400.2135       176.8142 89.64930       135.5353 58.66747 16.79485 34.71653 14.25844 23.95094       22.03112 
1 1 1 -12 16 24 f 45.33847 13.68678 222.0148       114.8542 415.6628       214.9266 144.6102       135.8836 56.58476 18.92258 38.27116 14.73621 18.31360       23.98374 
1 1 1 -12 16 25 o 32.65141 13.34750 84.42844       118.0763 123.3249       175.0912 51.98466       159.9098 37.49508 15.86052 33.15194 14.58582 4.343143       21.54768 
1 1 1 -12 16 26 o 20.59708 9.827535 -90.20953      96.31470 41.24619       169.7948 -152.5736      116.9504 32.63802 14.65178 20.94195 10.19543 11.69607       17.84997 
1 1 1 -12 17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 17 11 o 74.46872 5.911745 484.2059       74.55982 497.2411       98.79631 466.9589       113.6426 74.85557 7.845444 71.89519 9.488146 2.960381       12.31162 
1 1 1 -12 17 12 o 51.87138 7.073638 239.4424       61.02374 199.8776       70.95924 351.7993       119.5787 46.66784 9.231050 61.20976 11.86852 -14.54192      15.03576 
1 1 1 -12 17 13 o 98.55553 4.548055 838.5006       76.54356 856.5632       97.23419 809.0681       124.1205 99.12380 5.769278 95.57591 7.669495 3.547890       9.597173 
1 1 1 -12 17 14 o 54.17874 6.321772 259.5830       57.38859 217.5761       64.65775 415.5247       124.5780 49.02324 7.999471 66.60395 11.36075 -17.58072      13.89453 
1 1 1 -12 17 15 o 20.63805 8.425343 16.52671       46.96896 22.36991       49.14326 -45.15744      159.6709 21.66379 8.699381 31.09366 14.06035 -9.429863      16.53399 
1 1 1 -12 17 16 o 118.0044 5.177541 1210.172       104.3335 1276.288       127.6483 1077.104       181.0906 120.5702 6.220937 108.4846 9.883639 12.08555       11.67846 
1 1 1 -12 17 17 o 27.49701 9.948149 60.57651       60.03156 35.61671       64.79245 211.9376       159.5552 25.18323 10.03107 46.19387 16.27380 -21.01064      19.11698 
1 1 1 -12 17 18 o 27.67947 10.05108 61.92688       61.36189 20.15839       69.53928 208.8491       130.4216 24.23645 10.10693 45.36450 14.72158 -21.12805      17.85707 
1 1 1 -12 17 19 o 36.18529 13.25058 118.6350       106.9678 36.06853       180.1410 163.6039       132.9433 35.38818 15.52740 40.93438 14.80506 -5.546196      21.45437 
1 1 1 -12 17 20 o 46.00739 8.207898 197.4778       62.12021 225.9951       67.17416 29.06972       163.2411 49.25258 8.280596 33.44612 14.72561 15.80646       16.89414 
1 1 1 -12 17 21 o 64.74413 5.951287 374.5054       65.06149 342.9641       73.14452 494.0218       142.3820 61.36184 7.112295 69.84629 12.39117 -8.484455      14.28726 
1 1 1 -12 17 22 o 29.25621 12.29839 44.80539       104.2205 173.9527       174.7804 -26.45171      129.8268 41.17447 16.45122 27.56076 12.54752 13.61371       20.69016 
1 1 1 -12 17 23 o 81.03714 10.47856 646.4941       141.6103 792.1971       230.3123 557.9271       179.5639 81.60773 17.07506 70.01494 15.43404 11.59280       23.01668 
1 1 1 -12 17 24 o 46.23799 13.28761 238.1535       110.4855 172.6595       182.1918 276.2484       138.9507 39.71191 16.44290 48.10463 15.15227 -8.392727      22.35979 
1 1 1 -12 18 1  o 67.81123 5.774646 402.5425       66.23274 340.9466       109.4133 438.1689       83.21078 60.43788 11.00681 70.36927 7.018224 -9.931389      13.05394 
1 1 1 -12 18 2  o 83.79423 5.045850 609.8569       71.86545 477.2380       118.7586 686.4798       90.26965 72.32535 9.873455 88.61740 6.000508 -16.29205      11.55384 
1 1 1 -12 18 3  o 65.69272 5.838910 377.9917       64.81863 463.2813       104.7197 325.0200       82.52814 71.74857 8.726697 60.11094 8.257982 11.63763       12.01455 
1 1 1 -12 18 4  o 28.53125 9.368445 70.70049       52.75960 49.33494       71.01547 97.02021       78.82003 27.57854 10.64357 33.48463 11.45789 -5.906088      15.63869 
1 1 1 -12 18 5  o 66.24461 5.752273 384.0694       64.42569 450.4623       91.74425 319.4766       90.49202 71.14276 7.673183 59.21240 9.252139 11.93036       12.01998 
1 1 1 -12 18 6  o 92.05261 4.497587 731.4779       70.69971 735.4583       103.8899 728.0445       96.48882 91.47231 6.697483 91.18147 6.234201 0.2908401      9.149948 
1 1 1 -12 18 7  o 37.41629 9.044314 129.6490       57.14860 211.6989       78.79807 38.60044       83.00672 47.70220 9.993305 27.88936 11.26843 19.81284       15.06133 
1 1 1 -12 18 8  o 28.59591 9.261342 71.85093       51.63484 35.05693       72.82565 109.0458       73.22134 26.33054 10.58417 34.62281 11.00939 -8.292267      15.27191 
1 1 1 -12 18 9  o 58.59965 6.294254 303.1350       61.99862 376.7239       84.89014 219.0123       90.76277 64.86280 7.821903 48.03410 11.26089 16.82870       13.71093 
1 1 1 -12 18 10 o 55.20109 6.348325 269.7440       58.75282 312.9052       74.62426 199.3633       95.29277 59.09039 7.569390 45.52705 12.06367 13.56334       14.24176 
1 1 1 -12 18 11 o 54.72860 6.442022 265.7471       59.05309 205.0255       69.44370 424.3444       112.2300 47.14173 8.953730 67.80396 9.992430 -20.66223      13.41708 
1 1 1 -12 18 12 o 23.05111 9.557699 17.69167       61.68024 -45.29011      70.28893 228.6019       128.6259 19.71070 9.070175 47.87275 14.49137 -28.16205      17.09584 
1 1 1 -12 18 13 o 56.34827 7.073887 284.4271       66.56741 308.5847       80.74133 233.1575       117.6247 58.21139 8.362559 48.36582 13.64741 9.845570       16.00575 
1 1 1 -12 18 14 o 50.37165 8.021840 231.7877       66.68786 247.5682       86.43087 208.5726       104.8322 51.12527 10.25666 45.86578 12.86359 5.259483       16.45208 
1 1 1 -12 18 15 o 90.34717 5.978104 720.0626       91.71037 660.7921       107.1082 882.9019       177.5346 85.81496 7.380817 96.64412 10.95063 -10.82915      13.20579 
1 1 1 -12 18 16 o 34.06730 10.43221 110.5019       66.39234 74.45030       77.89598 206.2421       126.9404 30.23929 11.26510 44.70275 14.52461 -14.46346      18.38115 
1 1 1 -12 18 17 o 20.41493 9.018686 -9.569081      61.73917 0.7945739      67.78878 -59.98225      149.5111 22.16114 9.627980 28.45893 13.14325 -6.297789      16.29242 
1 1 1 -12 18 18 o 22.06293 9.304075 14.08829       59.95602 -54.65231      67.97139 255.0744       127.2669 18.47221 8.642240 48.66142 14.34167 -30.18921      16.74431 
1 1 1 -12 18 19 o 45.98040 8.441300 199.6228       63.83771 157.7541       72.55974 343.0463       134.2954 39.85159 10.51109 56.54329 13.98592 -16.69170      17.49540 
1 1 1 -12 18 20 o 37.52772 9.126846 136.8670       57.92607 154.9341       64.36297 59.85254       132.8856 39.75489 9.591201 32.30750 13.74822 7.447388       16.76320 
1 1 1 -12 18 21 o 25.01405 9.268879 51.65922       52.59628 14.41506       57.59191 238.8322       129.1082 21.49784 9.095134 45.74041 14.62704 -24.24257      17.22416 
1 1 1 -12 18 22 o 66.06803 10.67685 439.4177       116.3499 440.4823       192.5114 438.8051       146.0403 57.75276 17.77735 62.67163 13.99908 -4.918873      22.62760 
1 1 1 -12 19 1  o 43.26644 8.736254 174.0906       62.32384 225.6765       98.58485 139.7490       80.43678 48.00706 12.04534 38.19505 11.43681 9.812004       16.60996 
1 1 1 -12 19 2  o 53.89975 7.169939 261.2807       64.35661 271.9349       101.4139 254.0974       83.27223 53.08289 11.51864 52.09912 9.717283 0.9837723      15.06999 
1 1 1 -12 19 3  o 46.69218 7.690604 198.4498       59.18524 246.8417       95.82494 168.6038       75.25510 50.62035 11.36396 42.01842 10.51371 8.601925       15.48153 
1 1 1 -12 19 4  o 87.01479 4.911031 659.6036       72.67575 524.2913       119.1040 739.8696       91.73254 75.52126 9.441703 91.78424 5.883647 -16.26298      11.12488 
1 1 1 -12 19 5  o 94.23669 4.902771 773.2783       78.62514 688.2352       124.1342 830.2531       101.6047 87.23866 8.437994 97.11929 6.158277 -9.880630      10.44625 
1 1 1 -12 19 6  o 45.14849 7.994771 186.7374       59.38246 191.2732       84.82253 182.3774       83.16106 44.53656 11.17213 43.49630 11.14545 1.040260       15.78093 
1 1 1 -12 19 7  o 32.41630 9.190289 98.07561       53.20990 163.6093       77.93317 40.84896       72.82644 41.25010 10.89976 26.62533 10.62558 14.62477       15.22195 
1 1 1 -12 19 8  o 54.95826 7.928886 274.8317       72.26014 198.2190       103.7985 346.8765       100.6565 44.71525 12.88773 60.83358 10.03965 -16.11834      16.33671 
1 1 1 -12 19 9  o 49.87238 9.351508 232.8808       76.71638 299.3783       108.6501 166.7657       108.3372 55.40704 11.84231 41.24455 13.41901 14.16249       17.89721 
1 1 1 -12 19 10 o 57.53480 7.298436 298.9676       70.09457 336.7307       102.8344 266.1963       95.79675 59.50692 10.50374 52.49108 11.03731 7.015842       15.23649 
1 1 1 -12 19 11 o 40.24938 10.38156 156.5001       71.82217 225.5613       102.2368 89.20663       100.9198 47.45942 12.45720 33.29705 12.72894 14.16238       17.81033 
1 1 1 -12 19 12 o 29.45848 10.47639 74.95560       66.27365 141.9267       84.04031 -35.18913      107.7770 38.05990 11.75082 25.30198 11.48563 12.75792       16.43172 
1 1 1 -12 19 13 o 19.32513 8.920700 -43.17564      68.75379 -50.47023      84.51868 -28.90516      118.2148 21.36599 9.872570 26.70906 12.08605 -5.343079      15.60577 
1 1 1 -12 19 14 o 28.56673 11.22601 58.24806       80.13670 107.4507       88.57740 -163.6340      188.1004 34.01319 12.10999 28.38321 13.59440 5.629974       18.20603 
1 1 1 -12 19 15 o 69.72525 6.278186 435.5584       73.95094 489.9899       97.84106 363.0285       112.9417 72.97073 7.981990 60.53903 11.34165 12.43169       13.86886 
1 1 1 -12 19 16 o 24.22725 9.673026 36.08325       60.37988 44.90642       69.15935 7.799329       123.8250 26.08942 10.37255 28.85216 12.75779 -2.762741      16.44236 
1 1 1 -12 19 17 o 22.04765 9.520593 6.317885       65.48257 8.684950       72.65442 -3.927322      151.1532 23.21284 10.02607 30.37205 13.71202 -7.159204      16.98651 
1 1 1 -12 19 18 o 27.28483 10.23722 62.26123       64.55443 86.50225       75.49368 -3.677109      124.5100 30.64861 11.14560 27.89001 12.53168 2.758602       16.77103 
1 1 1 -12 19 19 f 26.40694 9.769641 59.76191       58.38747 22.95481       63.14557 276.7534       153.3199 22.96031 9.607696 47.62806 15.98185 -24.66774      18.64745 
1 1 1 -12 20 1  o 82.60477 5.884391 604.5153       82.46326 598.0468       123.9259 609.6555       110.4716 80.11199 9.227256 81.71691 8.019909 -1.604919      12.22543 
1 1 1 -12 20 2  o 27.78642 9.728366 67.02219       56.96539 106.0286       77.37292 20.85129       84.17921 33.61182 11.35294 25.90397 10.97959 7.707851       15.79369 
1 1 1 -12 20 3  o 69.95554 5.576890 432.6724       66.06821 316.1456       97.51308 531.5566       89.82839 57.36631 10.33425 76.90433 6.913970 -19.53802      12.43381 
1 1 1 -12 20 4  o 16.69324 7.646476 -28.74603      49.17714 -2.018032      84.10615 -42.63055      60.61917 24.23483 10.62227 17.95403 8.318839 6.280798       13.49206 
1 1 1 -12 20 5  o 59.51547 6.220589 316.6771       62.28707 363.0378       100.9460 288.1742       79.15131 61.80071 9.899339 55.63367 8.609483 6.167038       13.11946 
1 1 1 -12 20 6  o 35.78679 10.78794 124.5469       71.39182 129.7423       107.5710 120.4572       95.44052 36.97140 13.32587 35.69404 12.58510 1.277355       18.32931 
1 1 1 -12 20 7  o 44.37278 9.872597 190.1292       72.87878 272.6204       101.1923 101.2318       105.0481 52.32486 11.62685 34.24416 13.01147 18.08070       17.44941 
1 1 1 -12 20 8  o 33.36760 10.81034 106.3366       70.34711 166.6873       95.71118 35.42860       103.7455 40.56587 12.54284 28.92471 12.22051 11.64116       17.51182 
1 1 1 -12 20 9  o 48.31535 9.709148 224.4219       77.32710 167.7283       110.9526 277.9677       107.8284 40.51205 13.59554 52.31240 12.28079 -11.80035      18.32093 
1 1 1 -12 20 10 o 51.17384 8.244791 244.1380       69.60139 270.3083       104.2602 223.0988       93.48199 51.64815 12.04288 47.02573 11.69105 4.622421       16.78426 
1 1 1 -12 20 11 o 70.29563 6.075911 441.5536       72.21896 531.1094       103.7759 357.4527       100.5658 75.86520 8.137421 60.94514 10.01061 14.92007       12.90077 
1 1 1 -12 20 12 o 77.43356 5.953067 535.1360       78.11466 507.0840       108.1347 565.7501       112.9652 73.54836 8.783504 77.82992 8.645652 -4.281555      12.32466 
1 1 1 -12 20 13 o 29.44754 11.89186 60.66579       92.39408 -110.6477      218.4321 97.99603       101.9650 31.49961 14.96442 33.23346 12.77329 -1.733849      19.67463 
1 1 1 -12 20 14 o 24.25154 9.845328 34.27487       63.68995 104.2208       75.00884 -146.4539      120.5716 32.70979 11.17752 21.81088 10.55576 10.89891       15.37403 
1 1 1 -12 20 15 f 55.82997 7.346886 289.0201       68.34319 223.6033       85.84180 402.2691       112.9461 46.82413 10.93390 63.35221 10.82922 -16.52808      15.38903 
1 1 1 -12 20 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 21 2  o 118.4270 5.172156 1235.818       104.5983 1160.652       170.2997 1281.351       132.5455 111.0019 9.063337 119.3471 6.528308 -8.345200      11.16973 
1 1 1 -12 21 3  o 62.55618 7.162950 358.3533       75.13890 261.9128       108.5908 446.9443       104.0778 49.86363 12.71390 68.59821 9.110033 -18.73458      15.64085 
1 1 1 -12 21 4  o 69.81364 5.986477 436.8572       70.67927 594.1217       121.2390 355.8928       86.99091 79.16384 9.136116 61.50681 8.510267 17.65703       12.48572 
1 1 1 -12 21 5  o 33.24605 11.25837 107.7600       76.09117 188.9648       121.9401 55.97707       97.37542 41.74853 14.25163 29.41951 12.08461 12.32901       18.68547 
1 1 1 -12 21 6  o 38.88621 10.23927 150.8521       68.93041 88.29165       93.41477 225.6335       102.1321 31.85152 12.22982 46.20735 12.59737 -14.35583      17.55740 
1 1 1 -12 21 7  o 51.81577 8.970222 257.1882       76.49787 231.2133       108.8412 282.5453       107.5392 46.35539 13.14474 52.01802 12.29979 -5.662632      18.00192 
1 1 1 -12 21 8  o 76.68079 6.264414 529.9124       81.31278 657.6439       113.5400 395.4236       116.5046 84.13361 7.998982 62.61356 11.31248 21.52006       13.85481 
1 1 1 -12 21 9  o 29.55755 10.46715 80.72047       66.08956 64.69531       84.80632 105.5038       105.4647 29.03514 11.50430 33.78060 12.98897 -4.745464      17.35115 
1 1 1 -11 0  1  o 26.76250 11.64150 87.66849       55.12119 87.66849       55.12119 87.66849       55.12119 26.76250 11.64150 26.76250 11.64150 -0.000000      0.000000 
1 1 1 -11 0  2  o 73.22868 14.31388 508.4196       159.4257 508.4196       159.4257 508.4196       159.4257 73.22868 14.31388 73.22868 14.31388 -0.000000      0.000000 
1 1 1 -11 0  3  o 54.73612 15.23896 309.3869       123.2247 309.3869       123.2247 309.3869       123.2247 54.73612 15.23896 54.73612 15.23896 -0.000000      0.000000 
1 1 1 -11 0  4  o 387.7616 26.31914 13211.23       1724.332 13211.23       1724.332 13211.23       1724.332 387.7616 26.31914 387.7616 26.31914 0.000000       0.000000 
1 1 1 -11 0  5  o 53.77908 21.01001 340.8211       184.3747 340.8211       184.3747 340.8211       184.3747 53.77908 21.01001 53.77908 21.01001 -0.000000      0.000000 
1 1 1 -11 0  6  o 350.1891 35.64410 11084.89       2080.918 11084.89       2080.918 11084.89       2080.918 350.1891 35.64410 350.1891 35.64410 -0.000000      0.000000 
1 1 1 -11 0  7  o 214.2962 25.48872 4136.900       897.9421 4136.900       897.9421 4136.900       897.9421 214.2962 25.48872 214.2962 25.48872 0.000000       0.000000 
1 1 1 -11 0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  11 o 171.9041 23.00947 2675.101       641.5062 2675.101       641.5062 2675.101       641.5062 171.9041 23.00947 171.9041 23.00947 -0.000000      0.000000 
1 1 1 -11 0  12 o 154.7068 22.36341 2182.361       554.9146 2182.361       554.9146 2182.361       554.9146 154.7068 22.36341 154.7068 22.36341 -0.000000      0.000000 
1 1 1 -11 0  13 o 183.8148 8.137455 2905.016       254.2901 2905.016       254.2901 2905.016       254.2901 183.8148 8.137455 183.8148 8.137455 -0.000000      0.000000 
1 1 1 -11 0  14 o 230.0523 9.644651 4550.020       377.3775 4550.020       377.3775 4550.020       377.3775 230.0523 9.644651 230.0523 9.644651 0.000000       0.000000 
1 1 1 -11 0  15 o 130.0287 13.14980 1491.964       285.1383 1491.964       285.1383 1491.964       285.1383 130.0287 13.14980 130.0287 13.14980 0.000000       0.000000 
1 1 1 -11 0  16 o 335.1195 9.363723 9628.993       534.9124 9628.993       534.9124 9628.993       534.9124 335.1195 9.363723 335.1195 9.363723 -0.000000      0.000000 
1 1 1 -11 0  17 o 652.7789 14.08426 36606.38       1568.359 36606.38       1568.359 36606.38       1568.359 652.7789 14.08426 652.7789 14.08426 -0.000000      0.000000 
1 1 1 -11 0  18 o 662.1682 16.44789 37801.56       1857.268 37801.56       1857.268 37801.56       1857.268 662.1682 16.44789 662.1682 16.44789 0.000000       0.000000 
1 1 1 -11 0  19 o 105.1782 5.972896 954.8452       106.4872 954.8452       106.4872 954.8452       106.4872 105.1782 5.972896 105.1782 5.972896 0.000000       0.000000 
1 1 1 -11 0  20 f 63.04501 8.244938 357.3192       84.56154 357.3192       84.56154 357.3192       84.56154 63.04501 8.244938 63.04501 8.244938 0.000000       0.000000 
1 1 1 -11 0  21 o 20.74222 11.95791 46.19743       68.18530 46.19743       68.18530 46.19743       68.18530 20.74222 11.95791 20.74222 11.95791 -0.000000      0.000000 
1 1 1 -11 0  22 o 116.9321 9.840731 1199.269       193.2984 1199.269       193.2984 1199.269       193.2984 116.9321 9.840731 116.9321 9.840731 -0.000000      0.000000 
1 1 1 -11 0  23 o 26.08389 13.59309 85.72957       79.00523 85.72957       79.00523 85.72957       79.00523 26.08389 13.59309 26.08389 13.59309 -0.000000      0.000000 
1 1 1 -11 0  24 o 29.59618 14.41420 111.8551       85.68974 111.8551       85.68974 111.8551       85.68974 29.59618 14.41420 29.59618 14.41420 -0.000000      0.000000 
1 1 1 -11 0  25 o 185.4503 6.556030 2959.753       207.0321 2959.753       207.0321 2959.753       207.0321 185.4503 6.556030 185.4503 6.556030 -0.000000      0.000000 
1 1 1 -11 0  26 o 31.63581 17.63963 121.7899       141.8065 121.7899       141.8065 121.7899       141.8065 31.63581 17.63963 31.63581 17.63963 0.000000       0.000000 
1 1 1 -11 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  28 o 36.21835 17.07260 169.2728       119.1152 169.2728       119.1152 169.2728       119.1152 36.21835 17.07260 36.21835 17.07260 0.000000       0.000000 
1 1 1 -11 0  29 o 43.77051 17.23403 231.5775       123.6695 231.5775       123.6695 231.5775       123.6695 43.77051 17.23403 43.77051 17.23403 -0.000000      0.000000 
1 1 1 -11 0  30 o 47.80357 16.98494 266.0693       126.3020 266.0693       126.3020 266.0693       126.3020 47.80357 16.98494 47.80357 16.98494 -0.000000      0.000000 
1 1 1 -11 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  32 o 14.47020 10.27356 -136.0193      107.7352 -136.0193      107.7352 -136.0193      107.7352 14.47020 10.27356 14.47020 10.27356 0.000000       0.000000 
1 1 1 -11 0  33 o 146.4554 6.671134 1872.585       166.0544 1872.585       166.0544 1872.585       166.0544 146.4554 6.671134 146.4554 6.671134 -0.000000      0.000000 
1 1 1 -11 0  34 o 69.86449 11.02115 466.3612       121.7026 466.3612       121.7026 466.3612       121.7026 69.86449 11.02115 69.86449 11.02115 -0.000000      0.000000 
1 1 1 -11 0  35 o 71.24863 9.500922 476.0449       109.8411 476.0449       109.8411 476.0449       109.8411 71.24863 9.500922 71.24863 9.500922 -0.000000      0.000000 
1 1 1 -11 0  36 o 38.95078 15.33789 196.3714       97.94959 196.3714       97.94959 196.3714       97.94959 38.95078 15.33789 38.95078 15.33789 -0.000000      0.000000 
1 1 1 -11 0  37 o 14.91182 10.42017 -76.41228      97.73392 -76.41228      97.73392 -76.41228      97.73392 14.91182 10.42017 14.91182 10.42017 -0.000000      0.000000 
1 1 1 -11 1  1  o 158.5985 5.469262 2149.856       148.1255 2155.806       161.4758 2118.273       372.0405 158.8030 5.954522 156.3639 14.08439 2.439102       15.29138 
1 1 1 -11 1  2  o 187.6366 6.335475 3010.637       203.0012 2949.758       220.2951 3353.347       522.6791 185.7016 6.946838 196.6644 15.69421 -10.96272      17.16295 
1 1 1 -11 1  3  f 102.0274 5.494238 892.4754       95.37243 876.8787       104.8024 967.6307       230.0567 101.0804 6.100172 105.2978 13.07568 -4.217422      14.42864 
1 1 1 -11 1  4  o 264.3619 15.65359 6051.055       703.5195 6025.166       1218.268 6064.007       861.7251 259.9597 27.87830 263.7114 19.26881 -3.751678      33.88933 
1 1 1 -11 1  5  o 252.9648 15.30172 5540.368       657.8909 5549.533       1139.257 5535.783       805.8345 249.5385 27.17444 251.9604 18.86581 -2.421890      33.08125 
1 1 1 -11 1  6  o 180.1609 12.56041 2804.000       384.0084 3070.499       665.1124 2670.744       470.3157 186.6460 21.24632 175.1866 15.89426 11.45946       26.53363 
1 1 1 -11 1  7  o 174.0797 22.14965 2680.942       643.5283 2680.942       643.5283 0.000000       0.000000 174.0797 22.14965 ?        ?        0.000000       22.14965 
1 1 1 -11 1  8  f 178.4125 22.35412 2812.232       666.1082 2812.232       666.1082 0.000000       0.000000 178.4125 22.35412 ?        ?        0.000000       22.35412 
1 1 1 -11 1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 1  10 o 396.2675 39.06227 14213.02       2608.926 0.000000       0.000000 14213.02       2608.926 ?        ?        396.2675 39.06227 0.000000       39.06227 
1 1 1 -11 1  11 o 188.6490 22.88529 3132.656       722.1550 0.000000       0.000000 3132.656       722.1550 ?        ?        188.6490 22.88529 0.000000       22.88529 
1 1 1 -11 1  12 o 291.9883 8.150183 7295.180       406.3823 6041.531       1278.866 7435.987       428.5971 260.9388 29.20078 294.7638 8.514774 -33.82501      30.41688 
1 1 1 -11 1  13 o 35.86617 10.99676 110.2527       73.74632 101.0571       113.3885 116.9940       97.08527 37.75861 13.67039 38.06213 12.71785 -0.3035202     18.67146 
1 1 1 -11 1  14 o 207.6115 5.074482 3683.622       179.9057 3216.172       232.7965 4376.743       283.4740 193.9097 7.030317 226.1888 7.339057 -32.27904      10.16303 
1 1 1 -11 1  15 o 238.5729 6.593262 4867.879       268.6107 4088.834       358.3518 5866.902       405.8039 218.4460 9.606463 261.7163 9.079951 -43.27029      13.21853 
1 1 1 -11 1  16 o 205.8231 5.803125 3622.267       203.9661 3621.397       284.5790 3623.187       292.4867 205.6590 8.103136 205.6938 8.326894 -0.3479004E-01 11.61886 
1 1 1 -11 1  17 o 166.1100 4.605228 2358.362       130.6318 2159.660       166.2893 2678.626       211.1140 158.8952 6.128462 176.9113 6.988107 -18.01605      9.294713 
1 1 1 -11 1  18 o 174.9239 4.382934 2615.564       130.9230 2580.363       170.3037 2666.428       204.7161 173.6720 5.742385 176.4758 6.793053 -2.803757      8.894974 
1 1 1 -11 1  19 o 102.8970 4.858288 905.5727       85.36658 849.6304       111.7160 984.0778       132.3409 99.37665 6.620976 106.9039 7.292874 -7.527298      9.850042 
1 1 1 -11 1  20 o 196.2872 4.076285 3294.607       136.6339 3328.892       176.3010 3243.044       216.2076 197.2104 5.235075 194.5206 6.508839 2.689865       8.352903 
1 1 1 -11 1  21 o 203.2263 4.729019 3535.168       164.1167 3536.147       201.3073 3533.228       283.3981 203.1270 5.803502 202.6689 8.188569 0.4580841      10.03660 
1 1 1 -11 1  22 o 103.1920 4.908339 912.1125       86.49328 964.3893       137.9297 878.2330       111.0379 105.5883 7.702758 100.9343 6.476324 4.653992       10.06356 
1 1 1 -11 1  23 o 124.1258 4.842432 1320.199       102.6426 1277.051       143.4728 1365.436       146.9051 121.6607 6.934570 125.8265 6.862877 -4.165756      9.756400 
1 1 1 -11 1  24 o 184.0351 4.946348 2904.248       155.4487 2826.951       237.8154 2961.912       205.4041 181.0213 7.693227 185.5688 6.481898 -4.547577      10.05986 
1 1 1 -11 1  25 o 111.8891 4.836377 1073.855       92.40807 994.9904       124.3671 1171.062       138.0746 107.2474 6.826242 116.3518 6.981541 -9.104393      9.764195 
1 1 1 -11 1  26 f 95.87218 10.72131 813.6119       172.5210 756.1575       244.3014 870.7664       243.6629 90.29977 16.44904 97.61871 15.10464 -7.318932      22.33206 
1 1 1 -11 1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 1  28 o 45.28278 11.36117 187.6639       87.70719 283.1412       117.8745 69.23721       131.2788 55.42291 12.72353 36.00198 14.29799 19.42093       19.13951 
1 1 1 -11 1  29 o 192.0054 4.542211 3167.100       148.9301 4074.134       208.8159 2228.046       212.4697 217.4170 5.624295 160.1036 7.771303 57.31335       9.593010 
1 1 1 -11 1  30 o 172.3544 4.608204 2557.424       135.6301 2525.314       185.6107 2594.212       198.6748 170.6311 6.370049 172.7851 6.733404 -2.153931      9.269102 
1 1 1 -11 1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 1  32 o 93.57707 5.764947 765.4857       91.67428 626.2057       123.6559 935.4581       136.6028 83.28805 8.828828 102.4927 7.864840 -19.20461      11.82387 
1 1 1 -11 1  33 o 60.79702 8.268307 336.6510       83.61546 330.5162       115.1298 343.4991       121.6387 58.37371 11.95192 59.27088 12.41556 -0.8971672     17.23353 
1 1 1 -11 1  34 o 127.2091 4.780839 1410.605       103.8543 1367.322       148.3094 1452.250       145.4758 123.5851 7.056761 127.6680 6.696133 -4.082886      9.728107 
1 1 1 -11 1  35 o 63.92919 7.900978 378.0877       84.41878 385.8765       116.0385 369.3304       123.0414 62.21717 11.33949 59.99249 12.41931 2.224686       16.81736 
1 1 1 -11 1  36 o 54.77903 9.665810 292.8537       87.11272 141.1585       125.4723 434.0193       121.0393 37.27716 14.20675 65.61979 11.20384 -28.34263      18.09303 
1 1 1 -11 1  37 o 55.68761 9.411521 306.0903       86.30996 377.5735       144.3009 266.2718       107.6986 56.50695 14.78407 49.08377 12.73845 7.423183       19.51504 
1 1 1 -11 2  1  o 190.5639 4.583009 3102.702       149.1397 3167.279       209.8318 3036.773       212.0160 192.4772 6.383961 188.4622 6.587832 4.014999       9.173576 
1 1 1 -11 2  2  o 413.2043 10.22253 14630.34       721.3152 14676.59       781.5933 14364.72       1873.096 413.7305 11.06271 404.1880 27.29778 9.542542       29.45424 
1 1 1 -11 2  3  f 204.6639 7.550386 3583.985       263.8835 3409.794       287.6920 4507.649       662.4790 199.5760 8.441458 227.9116 17.14739 -28.33562      19.11259 
1 1 1 -11 2  4  o 398.8615 10.74396 13644.64       731.7932 13461.94       792.9709 14693.52       1899.974 396.0129 11.72590 408.0679 27.42477 -12.05499      29.82641 
1 1 1 -11 2  5  o 447.3950 29.74703 17763.03       2259.720 18442.30       3195.946 17083.94       3195.508 447.4562 42.32897 429.1187 44.24195 18.33743       61.22983 
1 1 1 -11 2  6  o 202.7873 16.26492 3570.108       558.5017 4020.518       790.3114 3120.769       789.3709 213.9044 21.94689 187.2429 25.33814 26.66151       33.52145 
1 1 1 -11 2  7  o 239.9485 17.99177 5003.906       731.8475 4736.864       1033.950 5272.023       1036.031 230.9870 26.70493 244.3266 25.19275 -13.33958      36.71278 
1 1 1 -11 2  8  f 111.7207 19.21959 1109.431       353.4512 1109.431       353.4512 0.000000       0.000000 111.7207 19.21959 ?        ?        0.000000       19.21959 
1 1 1 -11 2  9  o 385.7482 24.29957 13008.40       1592.498 16236.46       2252.807 9784.206       2251.459 428.1018 31.02645 327.0684 41.22694 101.0334       51.59749 
1 1 1 -11 2  10 o 214.6234 8.112690 3941.426       297.3336 5193.896       906.6216 3790.480       314.7411 243.7811 22.01587 210.4364 8.758520 33.34473       23.69410 
1 1 1 -11 2  11 o 335.5114 8.921124 9635.902       511.1270 0.000000       0.000000 9635.902       511.1270 ?        ?        335.5114 8.921124 0.000000       8.921124 
1 1 1 -11 2  12 o 160.5244 8.476836 2211.454       231.5444 0.000000       0.000000 2211.454       231.5444 ?        ?        160.5244 8.476836 0.000000       8.476836 
1 1 1 -11 2  13 f 306.3159 8.616293 8031.917       450.7045 8151.189       1099.468 8007.826       494.1301 305.9269 21.17594 305.7758 9.463161 0.1510620      23.19422 
1 1 1 -11 2  14 o 206.3175 5.313389 3638.246       187.2016 3444.354       246.4252 3902.833       287.8653 200.6586 7.191599 213.5551 7.893641 -12.89653      10.67842 
1 1 1 -11 2  15 o 596.0937 6.365256 30387.61       647.9363 28246.72       896.2802 32731.28       937.7676 574.2242 9.140298 618.1854 8.883305 -43.96112      12.74591 
1 1 1 -11 2  16 o 70.30563 6.404013 426.2837       76.04234 305.2883       91.59341 694.6655       136.4132 58.95644 9.414397 89.58810 9.040326 -30.63167      13.05214 
1 1 1 -11 2  17 f 176.9111 4.433283 2674.960       133.9314 2496.743       161.9483 3060.596       238.2273 170.8678 5.550272 189.0666 7.378612 -18.19888      9.233063 
1 1 1 -11 2  18 o 153.4856 4.510646 2014.004       118.2247 2187.115       156.6702 1785.061       180.1726 159.8831 5.738284 144.1620 7.343051 15.72102       9.319244 
1 1 1 -11 2  19 o 253.6819 6.158741 5510.702       266.7985 5484.085       281.9821 5738.075       824.1701 253.0236 6.526173 255.0713 19.05911 -2.047638      20.14548 
1 1 1 -11 2  20 o 263.1607 5.149996 5927.842       231.4354 5912.103       327.8600 5943.474       326.7411 262.4789 7.314626 263.1823 7.270180 -0.7033997     10.31306 
1 1 1 -11 2  21 o 165.8938 4.561054 2355.467       129.2104 2361.979       173.6751 2347.393       193.3694 165.9626 6.128096 165.3603 6.847854 0.6022186      9.189487 
1 1 1 -11 2  22 o 144.6319 4.285818 1790.542       105.8521 1854.821       143.4721 1713.754       156.8107 147.0627 5.712983 141.2677 6.500263 5.794937       8.653993 
1 1 1 -11 2  23 o 86.77464 5.881138 649.3187       86.63316 521.1422       136.0911 736.6508       112.3342 76.75050 10.67240 92.24007 7.188417 -15.48957      12.86753 
1 1 1 -11 2  24 o 288.1359 4.710469 7116.827       231.7734 6935.095       324.8972 7305.148       330.7349 283.8592 6.702567 291.3530 6.647502 -7.493866      9.440005 
1 1 1 -11 2  25 o 292.9138 5.137836 7364.615       256.9934 7032.035       427.4272 7552.919       321.6213 284.7794 8.789248 296.2198 6.358122 -11.44043      10.84789 
1 1 1 -11 2  26 o 176.8594 11.92364 2765.642       358.0113 2794.429       501.0017 2735.604       511.7793 174.7565 17.00353 172.4734 17.62395 2.283096       24.48926 
1 1 1 -11 2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 2  28 o 160.7412 4.690835 2218.523       128.7595 2113.615       171.4826 2354.115       194.9539 156.5137 6.416022 165.0388 6.917419 -8.525085      9.434831 
1 1 1 -11 2  29 o 118.9862 5.360858 1219.562       108.9264 1183.452       151.4930 1258.211       156.7307 116.4413 7.661538 120.0699 7.684262 -3.628616      10.85113 
1 1 1 -11 2  30 o 80.58055 6.439501 567.1384       87.87013 624.4174       120.7309 502.6200       128.1335 83.88705 8.547354 74.50690 10.35038 9.380142       13.42340 
1 1 1 -11 2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 2  32 o 34.17653 11.16736 105.8987       75.00052 303.7475       106.3996 -89.49395      105.7370 56.55758 11.41016 22.91964 10.74077 33.63794       15.67022 
1 1 1 -11 2  33 o 28.59271 10.67923 62.87595       70.09317 88.27599       97.04890 35.17792       101.3440 33.21472 12.53353 29.20893 12.19261 4.005791       17.48569 
1 1 1 -11 2  34 o 42.90918 10.06381 178.0635       72.46614 137.2837       100.3465 222.5104       104.7612 37.61812 12.92630 46.71533 12.76788 -9.097210      18.16887 
1 1 1 -11 2  35 o 38.32096 11.01047 147.6788       75.86794 293.8329       111.4539 21.47830       103.5667 53.21774 12.48030 27.64071 11.95444 25.57703       17.28197 
1 1 1 -11 2  36 o 31.89379 11.84052 94.92345       85.91096 -7.376023      124.4090 188.1741       118.7794 27.59929 12.45194 41.25191 14.06579 -13.65262      18.78556 
1 1 1 -11 2  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 3  1  o 488.2172 9.089935 20400.92       757.8370 18740.34       1092.870 21939.01       1051.796 467.2083 13.69797 505.8012 12.17726 -38.59286      18.32813 
1 1 1 -11 3  2  o 133.1563 4.967367 1515.048       112.9509 1568.888       163.2231 1465.574       156.4646 135.2633 7.091123 130.7254 7.034856 4.537903       9.988654 
1 1 1 -11 3  3  o 536.4012 10.76986 24658.83       986.5108 24266.94       1423.972 25020.52       1367.985 531.0089 15.70355 539.4155 14.85101 -8.406677      21.61375 
1 1 1 -11 3  4  o 521.2877 16.12196 23405.20       1435.150 22685.89       1494.749 31889.54       5133.566 512.9471 17.06451 583.3826 52.07796 -70.43549      54.80248 
1 1 1 -11 3  5  o 299.2306 8.738844 7665.210       446.5415 7627.396       466.2866 8083.547       1550.926 298.4540 9.149000 301.4946 30.54538 -3.040619      31.88612 
1 1 1 -11 3  6  o 92.31631 7.108780 733.2283       111.2043 689.7299       117.5541 1103.551       342.9977 89.44936 7.773170 111.5681 18.66237 -22.11870      20.21649 
1 1 1 -11 3  7  o 195.1323 13.07441 3284.168       433.1460 3131.401       750.3560 3360.514       530.4492 188.3024 23.87109 196.9280 15.90959 -8.625595      28.68700 
1 1 1 -11 3  8  o 750.4427 38.51863 50536.78       4919.542 54648.64       8521.038 48480.95       6025.134 744.1327 67.80042 724.2554 49.00454 19.87732       83.65609 
1 1 1 -11 3  9  o 533.9351 13.12500 24474.64       1196.712 24482.14       4231.311 24473.99       1247.651 514.6582 48.72545 533.8010 13.68711 -19.14276      50.61133 
1 1 1 -11 3  10 o 412.3318 10.87348 14571.10       765.6269 15126.74       2660.306 14520.93       799.4503 409.8488 38.46058 411.5485 11.37545 -1.699768      40.10756 
1 1 1 -11 3  11 o 310.2366 8.358355 8236.441       442.8083 7322.635       1442.134 8331.563       465.2847 287.3333 29.82577 311.9906 8.733238 -24.65738      31.07806 
1 1 1 -11 3  12 o 154.9728 6.826421 2053.835       180.6552 1693.866       310.1516 2238.676       222.2493 139.8354 13.14258 161.7468 8.046424 -21.91136      15.41014 
1 1 1 -11 3  13 f 301.3100 6.450377 7763.234       331.8949 4600.340       966.8438 8185.732       353.3675 228.2501 25.22691 309.3833 6.688487 -81.13313      26.09852 
1 1 1 -11 3  14 o 167.1509 8.312904 2391.822       237.2813 2882.488       491.2415 2242.507       270.9905 182.1817 15.95093 161.4637 9.875751 20.71802       18.76067 
1 1 1 -11 3  15 o 83.53281 7.105929 601.3274       100.4002 494.3125       124.5045 800.3125       169.7747 75.29088 9.925645 96.02744 10.52572 -20.73656      14.46752 
1 1 1 -11 3  16 o 149.5872 4.337426 1912.240       110.7971 1922.531       140.9587 1895.603       179.2271 149.9490 5.504860 148.8277 7.052092 1.121262       8.946256 
1 1 1 -11 3  17 o 206.0701 5.325027 3631.511       187.3867 3732.297       194.7684 2376.999       687.1579 208.9016 5.459776 162.1369 25.67352 46.76472       26.24764 
1 1 1 -11 3  18 o 139.0108 4.550999 1652.263       108.0332 1615.401       146.0905 1696.748       160.4861 137.3673 6.227832 140.7558 6.676810 -3.388580      9.130481 
1 1 1 -11 3  19 f 186.5027 4.033514 2973.878       128.4608 2972.464       168.7116 2975.828       198.1636 186.3677 5.301178 186.3916 6.225806 -0.2391052E-01 8.176990 
1 1 1 -11 3  20 f 35.93235 10.03669 114.5386       63.95499 152.1487       76.51006 27.30856       116.5197 41.21769 10.75604 31.94142 13.18137 9.276270       17.01296 
1 1 1 -11 3  21 o 121.3339 5.247860 1261.269       108.7342 1346.540       159.9589 1188.021       148.2542 124.9221 7.533621 117.3272 7.438037 7.594894       10.58678 
1 1 1 -11 3  22 o 239.1915 4.613699 4899.759       188.4503 4904.219       238.7190 4892.383       306.9979 239.0820 5.847069 238.4115 7.540606 0.6704712      9.541958 
1 1 1 -11 3  23 o 239.3932 4.464011 4909.263       182.4900 4922.438       232.9977 4888.353       293.5167 239.4684 5.697727 238.2566 7.214162 1.211731       9.192836 
1 1 1 -11 3  24 o 115.9769 4.321510 1152.448       85.58719 1148.338       110.1255 1158.716       136.0080 115.6367 5.576869 115.7793 6.910616 -0.1425858     8.880207 
1 1 1 -11 3  25 o 159.4224 4.477894 2179.020       121.9060 2166.619       157.8244 2197.361       191.9424 158.7428 5.822082 159.6089 7.042256 -0.8661499     9.137286 
1 1 1 -11 3  26 o 118.5095 12.67374 1254.697       252.5074 1050.656       348.4372 1480.370       366.4414 104.8731 20.18888 126.5080 17.42465 -21.63490      26.66851 
1 1 1 -11 3  27 o 45.58479 12.57871 189.7772       101.1129 216.7431       204.7888 181.0842       116.2741 51.27044 18.39649 44.91745 13.81420 6.352993       23.00571 
1 1 1 -11 3  28 o 43.54036 12.06210 173.2222       92.77139 87.32505       122.3234 289.5252       142.3362 36.55711 14.00470 55.67014 14.74008 -19.11302      20.33228 
1 1 1 -11 3  29 o 60.62725 8.912584 328.2311       89.51877 207.6640       113.4541 527.1054       145.7120 47.26034 13.42704 76.18058 11.56416 -28.92024      17.72048 
1 1 1 -11 3  30 o 40.01294 13.63109 141.0969       111.5502 177.5763       123.9390 -14.49427      255.9627 43.94625 14.35544 41.08986 18.24713 2.856396       23.21716 
1 1 1 -11 3  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 3  32 o 31.90853 11.23149 86.81715       75.98324 112.4545       96.01323 43.85284       124.2936 35.77540 12.62184 32.28850 13.49253 3.486900       18.47591 
1 1 1 -11 3  33 o 38.91502 11.15179 146.1398       77.92044 67.85894       100.6381 263.3090       123.1237 31.63255 12.53259 50.90854 13.81175 -19.27599      18.65021 
1 1 1 -11 3  34 o 47.21202 9.679808 213.7173       75.42048 180.5040       104.7156 249.5181       108.7183 42.00629 13.14128 49.32434 12.79751 -7.318050      18.34311 
1 1 1 -11 3  35 o 65.08578 8.448166 397.1927       91.68210 436.5981       128.9692 356.9341       130.3581 65.54890 11.96255 57.86841 13.44757 7.680492       17.99833 
1 1 1 -11 3  36 o 61.46682 9.228330 365.5585       93.87316 104.0947       134.8838 611.1556       130.7271 34.58727 14.21693 79.03973 9.902785 -44.45246      17.32589 
1 1 1 -11 4  1  o 526.8791 8.583167 23753.54       772.2545 22754.31       1113.949 24678.15       1071.550 515.0266 12.66584 536.5417 11.69518 -21.51520      17.23951 
1 1 1 -11 4  2  o 580.3525 10.16979 28845.25       1007.872 25859.51       1453.264 31612.11       1398.979 548.3929 15.51853 606.8484 13.49986 -58.45551      20.56869 
1 1 1 -11 4  3  o 396.9480 7.831762 13478.25       530.8784 13198.00       749.8383 13759.90       751.7158 392.4264 11.18942 400.7200 10.98527 -8.293579      15.68054 
1 1 1 -11 4  4  o 269.8626 6.296572 6225.548       290.1676 6983.934       400.1543 5384.548       421.3863 285.7084 8.201674 250.7575 9.840667 34.95090       12.81039 
1 1 1 -11 4  5  o 364.1506 9.178899 11351.44       570.7863 11427.22       595.5360 10496.13       2000.724 365.3258 9.546095 342.8277 34.65074 22.49814       35.94165 
1 1 1 -11 4  6  o 164.9420 6.710239 2326.145       189.0041 2180.468       206.7129 3068.757       466.7154 159.6631 7.581604 188.4053 14.62082 -28.74226      16.46964 
1 1 1 -11 4  7  o 199.2218 6.433407 3393.151       218.8668 3401.593       239.1045 3349.518       543.5856 199.4451 7.020409 196.5894 16.34027 2.855652       17.78456 
1 1 1 -11 4  8  o 319.7820 7.572554 8746.931       413.5217 9295.508       588.8194 8213.051       580.8775 329.3897 10.46815 309.5640 10.98834 19.82574       15.17649 
1 1 1 -11 4  9  o 363.6865 9.686287 11326.91       601.5703 0.000000       0.000000 11326.91       601.5703 ?        ?        363.6865 9.686287 0.000000       9.686287 
1 1 1 -11 4  10 o 306.1238 9.045844 8022.627       472.8770 9417.603       1130.453 7726.762       520.6144 329.3462 20.19762 300.3231 10.15139 29.02313       22.60519 
1 1 1 -11 4  11 o 309.6589 8.056013 8205.198       425.9961 7380.880       1031.502 8374.702       467.7487 291.1635 20.88458 312.7790 8.757359 -21.61548      22.64635 
1 1 1 -11 4  12 o 859.7921 18.60710 63893.23       2731.958 60278.00       7202.544 64500.77       2952.600 800.0709 53.01804 863.0375 20.03425 -62.96661      56.67701 
1 1 1 -11 4  13 o 129.6520 7.497357 1443.069       165.2844 1513.044       298.7274 1412.196       198.4242 132.0029 13.43971 128.0839 9.131708 3.919052       16.24851 
1 1 1 -11 4  14 o 325.6917 6.533405 9072.722       363.3692 8827.979       513.1190 9318.925       514.6478 320.9763 9.361451 329.8083 9.137903 -8.831970      13.08197 
1 1 1 -11 4  15 o 369.9755 7.074025 11713.71       446.9320 10971.19       621.8595 12507.00       642.7739 357.6272 10.18263 381.8949 9.856267 -24.26767      14.17152 
1 1 1 -11 4  16 o 134.4186 6.013378 1545.647       138.0320 1537.807       144.8185 1623.461       456.2489 134.0638 6.325729 135.0118 20.42763 -0.9480286     21.38464 
1 1 1 -11 4  17 o 226.0274 5.346649 4369.970       206.3691 4396.978       300.6696 4345.913       283.7637 226.4973 7.773643 225.2207 7.378134 1.276550       10.71757 
1 1 1 -11 4  18 o 110.7111 4.834260 1048.391       91.39512 974.8790       124.1623 1135.327       135.0243 106.4443 6.867339 114.8980 6.913921 -8.453712      9.744878 
1 1 1 -11 4  19 o 137.0734 4.195258 1606.875       98.20049 1515.243       126.1804 1747.625       156.3830 133.0266 5.554583 142.7961 6.413150 -9.769516      8.484214 
1 1 1 -11 4  20 o 127.4874 5.352041 1392.200       116.5168 1272.397       178.2666 1481.553       153.9534 121.2626 8.665862 131.1978 6.895836 -9.935196      11.07473 
1 1 1 -11 4  21 o 120.4556 4.216721 1241.780       86.73689 1206.465       110.4741 1298.536       140.0503 118.6370 5.453034 122.7782 6.705125 -4.141205      8.642586 
1 1 1 -11 4  22 f 150.6798 4.316606 1943.988       111.0706 1984.997       146.4563 1888.472       170.4049 152.1112 5.638261 148.2171 6.732585 3.894104       8.781668 
1 1 1 -11 4  23 o 88.18941 4.850576 668.7523       72.76778 717.2830       95.78054 602.4998       111.9102 91.14783 6.190290 83.17693 7.976722 7.970901       10.09692 
1 1 1 -11 4  24 o 150.6022 3.985567 1942.514       102.4999 1963.250       133.3642 1912.588       160.2149 151.2471 5.163574 149.0977 6.292598 2.149353       8.139981 
1 1 1 -11 4  25 o 107.7097 4.765460 995.3705       87.65196 1143.646       112.8039 769.4247       139.2486 115.3301 5.727692 93.76402 8.799604 21.56605       10.49950 
1 1 1 -11 4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 4  27 o 95.13306 5.840253 782.0475       94.41904 901.7310       120.6239 592.7059       151.7188 101.9325 6.971614 81.38372 11.21480 20.54878       13.20512 
1 1 1 -11 4  28 o 31.70316 11.61404 73.59563       82.18905 40.74461       102.6151 132.3826       137.2706 30.87401 12.50976 41.24371 15.02456 -10.36970      19.55074 
1 1 1 -11 4  29 o 39.04980 13.65195 127.9505       112.1619 -193.6468      196.0992 284.3120       136.7365 30.29345 14.32907 54.71414 14.42824 -24.42069      20.33462 
1 1 1 -11 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 4  31 o 121.5603 7.075170 1301.144       146.2339 1347.711       168.9962 1162.363       291.7445 123.1626 8.079985 108.2218 16.29156 14.94075       18.18519 
1 1 1 -11 4  32 o 70.41145 7.426878 443.5967       87.95280 356.7528       105.3093 643.8733       159.9235 61.74699 10.35385 82.47708 11.68133 -20.73009      15.60947 
1 1 1 -11 4  33 o 47.07532 10.07446 211.4631       78.54090 95.80257       99.29132 404.8111       128.3774 33.87089 12.69860 64.31309 12.13417 -30.44220      17.56396 
1 1 1 -11 4  34 o 29.42025 11.03980 71.31777       75.07754 107.1089       105.1487 34.09336       107.2334 34.59639 13.04821 29.06360 12.35856 5.532782       17.97192 
1 1 1 -11 4  35 o 24.50454 10.45480 18.62697       77.20760 -33.08284      112.6889 64.37545       105.9944 25.39431 11.61102 30.67484 12.60509 -5.280533      17.13780 
1 1 1 -11 4  36 o 87.20509 6.570158 693.0537       97.12194 761.3047       131.7817 611.9080       143.6923 89.30898 8.753399 77.56096 11.17120 11.74802       14.19217 
1 1 1 -11 5  1  o 454.0819 8.242547 17641.94       639.1423 16330.89       922.3458 18853.03       886.4875 436.3133 12.37922 469.0168 11.06834 -32.70349      16.60582 
1 1 1 -11 5  2  o 94.94362 5.179780 772.5875       83.66329 767.6802       117.5346 777.6277       119.1168 94.45936 7.344239 95.06807 7.395500 -0.6087112     10.42263 
1 1 1 -11 5  3  o 124.7109 4.188384 1328.652       89.19750 1104.522       113.5929 1689.107       144.0543 113.5255 5.879590 140.5742 6.000930 -27.04873      8.401234 
1 1 1 -11 5  4  o 130.7088 4.394612 1459.609       98.09057 1408.771       139.4475 1509.401       138.0058 128.3710 6.361239 132.8839 6.081675 -4.512833      8.800690 
1 1 1 -11 5  5  o 486.4890 8.738501 20255.07       725.9586 20578.86       1047.819 19956.17       1006.734 489.7585 12.52860 482.3477 12.22229 7.410858       17.50286 
1 1 1 -11 5  6  o 180.9072 6.368972 2797.885       196.7556 2751.984       214.9949 3034.491       488.1292 179.3930 7.018118 187.2124 15.40529 -7.819321      16.92858 
1 1 1 -11 5  7  o 541.0453 9.893085 25071.22       914.0445 23803.25       1312.216 26266.31       1273.942 526.2343 14.60240 553.0611 13.48884 -26.82678      19.87910 
1 1 1 -11 5  8  o 197.8006 5.276783 3343.618       178.2374 3191.445       233.8761 3554.452       275.2882 193.1773 7.089696 203.8276 7.909022 -10.65024      10.62151 
1 1 1 -11 5  9  o 509.5671 9.747671 22240.37       848.2115 21647.72       1193.652 22844.88       1205.540 501.9113 13.92673 515.6583 13.69045 -13.74701      19.52901 
1 1 1 -11 5  10 o 135.0844 5.274100 1559.544       121.6621 1507.349       146.3276 1676.423       218.9666 132.7730 6.453784 139.6138 9.236519 -6.840805      11.26786 
1 1 1 -11 5  11 o 138.5367 7.564669 1646.943       178.2833 2133.348       333.2940 1451.982       211.0094 157.1354 12.52488 129.8405 9.584524 27.29492       15.77136 
1 1 1 -11 5  12 o 700.2672 9.297073 42007.29       1111.762 41803.39       1544.888 42226.32       1601.160 697.4850 12.97060 700.8621 13.37828 -3.377136      18.63370 
1 1 1 -11 5  13 o 147.7901 6.091889 1867.760       153.7443 1762.934       221.7154 1964.851       213.3788 143.1614 9.116631 151.2595 8.292500 -8.098129      12.32390 
1 1 1 -11 5  14 o 239.8137 8.208362 4925.313       336.1494 4928.044       356.3828 4903.290       1012.035 239.8354 8.701649 234.9239 25.64356 4.911469       27.07972 
1 1 1 -11 5  15 o 128.4413 5.757570 1410.985       126.2832 952.6259       232.0070 1603.955       150.5369 104.3277 13.32718 136.9136 6.438644 -32.58596      14.80101 
1 1 1 -11 5  16 o 273.1343 6.202518 6384.832       289.2986 6578.772       405.6130 6184.015       412.7400 276.9541 8.576344 268.4547 9.003339 8.499359       12.43438 
1 1 1 -11 5  17 f 120.3944 4.390193 1239.352       90.25928 1150.847       113.7146 1390.060       148.3885 115.9581 5.742660 127.1931 6.857130 -11.23491      8.944180 
1 1 1 -11 5  18 o 172.3753 5.590603 2543.938       164.5643 2518.308       236.6153 2567.950       229.0283 171.2497 8.091166 172.9695 7.753853 -1.719818      11.20666 
1 1 1 -11 5  19 o 162.7481 4.368353 2266.097       121.4047 2258.836       152.6869 2278.579       200.1893 162.3910 5.506022 162.9151 7.195777 -0.5240936     9.060657 
1 1 1 -11 5  20 o 160.6312 3.848107 2207.180       105.5550 2149.596       132.6166 2306.723       174.3634 158.4305 4.901815 163.9675 6.227241 -5.537003      7.925044 
1 1 1 -11 5  21 o 195.5383 4.611730 3274.555       153.9918 3256.990       190.8960 3307.279       260.5657 194.8517 5.737079 195.9646 7.786417 -1.112976      9.671730 
1 1 1 -11 5  22 o 133.4730 4.234531 1525.578       96.51631 1412.063       120.8868 1725.162       160.2930 128.2800 5.518461 141.6349 6.627387 -13.35484      8.624133 
1 1 1 -11 5  23 o 158.7113 4.239102 2157.862       114.8904 2189.536       142.7908 2099.708       193.4805 159.7336 5.234824 156.0610 7.260069 3.672592       8.950530 
1 1 1 -11 5  24 o 86.23844 4.918190 640.1677       72.12817 485.5704       91.07735 900.2354       118.1280 74.67749 7.232613 101.9780 6.822714 -27.30051      9.942842 
1 1 1 -11 5  25 o 64.35738 17.19062 389.9100       192.5041 414.5240       205.7488 216.9837       545.3514 66.22117 17.80781 66.44762 28.04303 -0.2264557     33.21941 
1 1 1 -11 5  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 5  27 o 79.22955 6.306365 544.7332       84.61705 562.4612       105.8677 513.3755       140.8009 80.17409 7.832683 75.58703 11.25130 4.587059       13.70922 
1 1 1 -11 5  28 o 184.8257 5.014148 2939.313       158.2565 2980.031       197.8208 2866.925       263.7603 185.7113 6.237804 181.2254 8.522923 4.485947       10.56174 
1 1 1 -11 5  29 o 116.6161 5.264550 1174.035       104.8388 1182.515       129.4195 1157.849       178.8037 116.5198 6.530576 114.1751 9.250216 2.344620       11.32320 
1 1 1 -11 5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 5  31 o 65.86863 16.66391 447.5114       187.5792 458.5216       247.9468 432.7765       286.8362 64.39008 20.23407 62.01075 21.82261 2.379330       29.75977 
1 1 1 -11 5  32 o 38.21404 12.13944 139.2232       89.04102 139.2232       89.04102 0.000000       0.000000 38.21404 12.13944 ?        ?        0.000000       12.13944 
1 1 1 -11 5  33 o 72.06944 6.774214 465.3061       82.39203 474.1726       101.3934 448.0704       141.3667 71.86839 8.421361 66.92592 12.83646 4.942474       15.35233 
1 1 1 -11 5  34 o 40.50849 12.03546 167.9257       89.33518 181.8608       110.0904 141.0568       152.8686 41.58635 13.52700 38.75967 15.41768 2.826679       20.51059 
1 1 1 -11 5  35 f 63.84136 8.596831 385.4240       91.33947 358.9263       123.4261 417.5042       135.8067 58.34838 12.74409 62.73529 13.09959 -4.386902      18.27597 
1 1 1 -11 5  36 o 40.41874 12.04513 176.7181       89.37851 258.5867       120.0245 74.80564       133.9137 47.32651 13.92177 32.23867 13.76206 15.08784       19.57575 
1 1 1 -11 6  1  o 385.4384 7.218943 12706.71       475.1498 12793.65       671.1225 12619.34       672.8074 386.4261 10.17029 383.7722 10.26633 2.653961       14.45104 
1 1 1 -11 6  2  o 190.6572 4.267165 3105.545       138.9296 2946.235       191.5086 3282.527       201.8512 185.6470 6.040855 195.9563 6.032125 -10.30925      8.536888 
1 1 1 -11 6  3  o 133.2460 4.282565 1516.843       97.44515 1321.331       135.5535 1725.927       140.1795 124.1511 6.415709 142.0983 5.776885 -17.94718      8.633291 
1 1 1 -11 6  4  o 181.6072 4.677432 2818.046       145.0582 2584.908       203.4213 3059.248       206.9098 173.8617 6.851577 189.1606 6.405433 -15.29884      9.379428 
1 1 1 -11 6  5  o 306.3303 5.215850 8019.362       272.8456 7738.707       455.2633 8176.667       340.8380 300.6685 8.866920 309.2467 6.454178 -8.578247      10.96716 
1 1 1 -11 6  6  o 417.4233 6.420346 14897.75       457.6537 14233.58       795.1689 15226.73       559.6351 407.4076 11.42953 421.8730 7.768218 -14.46539      13.81953 
1 1 1 -11 6  7  o 265.3902 5.467214 6019.794       247.7723 4871.538       322.3392 7678.000       387.3585 238.6089 7.910875 299.5824 7.571725 -60.97342      10.95048 
1 1 1 -11 6  8  o 539.0842 9.794949 24896.04       901.6972 25248.84       1267.378 24534.40       1283.153 542.0322 13.69238 534.2130 14.06573 7.819214       19.62972 
1 1 1 -11 6  9  o 408.0012 7.538015 14242.25       525.1948 13543.68       731.2937 14986.32       754.7361 397.4482 10.77480 418.1128 10.57060 -20.66461      15.09417 
1 1 1 -11 6  10 o 534.6765 8.217947 24471.06       750.3369 18694.58       1052.381 30443.85       1070.114 466.3955 13.21347 595.8882 10.51631 -129.4927      16.88753 
1 1 1 -11 6  11 o 332.6816 5.721364 9462.214       325.0351 8479.729       403.1346 11287.39       549.4647 314.7904 7.499404 363.0242 8.863441 -48.23380      11.61041 
1 1 1 -11 6  12 o 241.3930 5.789578 4982.408       238.6566 4971.991       245.3311 5166.074       1030.151 241.1303 5.957976 241.4837 25.35979 -0.3533325     26.05027 
1 1 1 -11 6  13 o 202.5992 8.054351 3515.301       278.6572 3426.913       295.1950 4238.492       844.3859 199.9901 8.643675 219.0271 22.91493 -19.03696      24.49096 
1 1 1 -11 6  14 o 243.1391 6.890558 5060.388       286.0956 4273.564       656.1202 5245.110       317.9099 221.2568 17.50841 247.4769 7.522592 -26.22005      19.05607 
1 1 1 -11 6  15 o 85.25216 7.570370 627.6490       109.0642 593.4032       157.2894 659.3621       151.3615 82.24594 11.51477 86.97609 10.39700 -4.730148      15.51411 
1 1 1 -11 6  16 o 144.9610 5.419062 1798.075       134.1459 1595.992       194.1804 1982.568       185.5365 136.1130 8.395152 152.0959 7.143480 -15.98288      11.02306 
1 1 1 -11 6  17 o 292.0532 5.934798 7304.976       295.9851 7074.642       406.7832 7564.127       431.4799 286.9950 8.300165 296.7110 8.515789 -9.716034      11.89165 
1 1 1 -11 6  18 f 46.50412 7.802066 190.7856       59.76436 222.4725       77.45963 144.1758       93.94509 50.01763 9.414278 40.67756 12.40056 9.340065       15.56928 
1 1 1 -11 6  19 o 223.5089 4.741120 4277.123       180.9579 4188.126       222.7550 4449.829       310.3100 221.0050 5.902329 227.4046 7.990882 -6.399551      9.934369 
1 1 1 -11 6  20 o 155.9570 4.523498 2082.620       120.4706 1903.644       152.1629 2383.245       197.2075 148.9476 5.982372 166.5164 6.935285 -17.56882      9.158982 
1 1 1 -11 6  21 f 117.9069 4.214919 1190.318       84.86534 1144.272       104.2911 1280.570       146.0084 115.5115 5.287132 121.7913 7.050523 -6.279739      8.812697 
1 1 1 -11 6  22 o 112.4246 4.462055 1082.975       85.66397 1018.128       106.5122 1201.749       144.1495 108.7307 5.756982 117.8858 7.195048 -9.155106      9.214746 
1 1 1 -11 6  23 o 47.24276 8.173424 198.3804       63.55210 179.8662       80.17682 229.6746       104.2388 44.53271 10.68066 50.15791 12.27075 -5.625202      16.26800 
1 1 1 -11 6  24 o 162.0359 14.00387 2351.115       383.6823 2477.255       440.7056 1956.101       779.8811 165.3265 15.80252 133.2379 34.12608 32.08862       37.60730 
1 1 1 -11 6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 6  26 o 168.2568 4.595739 2429.727       132.0474 2518.129       165.2614 2273.630       219.6024 171.0637 5.657331 161.9371 7.941248 9.126556       9.750323 
1 1 1 -11 6  27 o 108.4172 5.270980 1011.298       97.58689 920.4294       121.8040 1174.175       163.0733 102.9131 6.972018 115.8954 8.294597 -12.98230      10.83556 
1 1 1 -11 6  28 o 24.87370 10.21200 21.06108       69.49035 89.20135       87.10680 -98.21421      115.2459 33.59027 12.00375 24.26471 11.31946 9.325560       16.49910 
1 1 1 -11 6  29 o 91.14410 6.497657 726.3785       100.4694 744.1259       109.0871 627.1786       257.9064 92.08765 6.989104 77.88448 19.44982 14.20318       20.66744 
1 1 1 -11 6  30 o 118.2042 6.055906 1219.920       121.8297 1188.818       136.3838 1342.758       271.0406 116.3036 6.897812 119.0061 13.58036 -2.702499      15.23174 
1 1 1 -11 6  31 o 123.3327 5.649647 1326.461       118.9875 1261.639       132.1197 1604.773       273.7612 119.7249 6.486409 130.0827 12.47704 -10.35781      14.06236 
1 1 1 -11 6  32 o 28.71402 10.83551 62.58577       72.53539 65.06905       89.09486 57.70421       124.9160 30.39819 11.86838 32.83616 13.60714 -2.437971      18.05582 
1 1 1 -11 6  33 o 47.80760 14.12954 242.0349       123.3772 596.9802       195.9781 9.003153       158.7941 73.97102 15.98151 32.18610 14.32848 41.78493       21.46425 
1 1 1 -11 6  34 o 54.49566 11.05911 297.3787       99.39928 359.4394       146.1213 243.9256       135.6101 56.72795 14.89401 46.57339 15.00109 10.15456       21.13917 
1 1 1 -11 6  35 o 25.60267 11.11937 16.78399       90.35505 -105.5068      113.0387 233.1795       150.3676 22.15974 10.59347 44.23894 15.77534 -22.07920      19.00219 
1 1 1 -11 7  1  o 89.23574 4.050333 680.3278       61.72081 694.9255       88.25076 666.3512       86.35299 89.97466 5.774249 88.09808 5.771867 1.876572       8.164336 
1 1 1 -11 7  2  o 71.01251 5.688233 433.8430       68.39957 463.3567       100.2311 408.1190       93.57479 73.12554 8.166047 68.57281 8.150713 4.552727       11.53770 
1 1 1 -11 7  3  o 354.4030 5.858133 10737.65       354.5345 11096.29       585.0140 10529.48       445.7065 359.9046 9.518685 350.8165 7.439899 9.088074       12.08129 
1 1 1 -11 7  4  o 126.5640 4.568109 1368.742       98.72989 1509.014       112.6090 902.5873       205.2823 132.8821 4.962545 101.8505 12.03546 31.03165       13.01841 
1 1 1 -11 7  5  o 221.0390 4.288472 4174.468       161.8726 2975.799       218.5423 5631.396       240.9377 186.5276 6.861048 256.6745 5.496929 -70.14691      8.791485 
1 1 1 -11 7  6  o 278.6388 6.062518 6638.125       288.4673 6075.434       415.1461 7163.447       401.1237 266.3386 9.127775 289.2983 8.119524 -22.95969      12.21650 
1 1 1 -11 7  7  o 252.8038 4.859512 5461.689       209.7868 5668.245       329.1808 5320.420       272.2325 257.3818 7.489533 249.4317 6.391260 7.950180       9.845878 
1 1 1 -11 7  8  o 84.62417 5.286091 614.4988       76.00649 534.7471       89.07620 828.0366       145.7568 78.78815 6.683660 97.93707 8.809510 -19.14891      11.05797 
1 1 1 -11 7  9  o 266.4770 5.749655 6071.209       261.6395 5792.799       356.9467 6394.478       384.6306 260.1288 8.035503 273.2858 8.241851 -13.15701      11.51075 
1 1 1 -11 7  10 o 112.1448 4.445322 1074.729       85.13030 1166.210       100.4446 841.4483       160.3992 116.8061 5.035693 98.60896 9.649059 18.19714       10.88405 
1 1 1 -11 7  11 o 558.7983 9.609639 26775.68       916.9888 26753.21       955.6899 27036.30       3255.277 558.4595 10.02128 546.3876 35.07402 12.07190       36.47757 
1 1 1 -11 7  12 o 256.0169 5.594816 5605.443       244.6000 5396.051       341.0178 5827.315       351.0328 250.9829 7.956663 260.8277 7.881193 -9.844803      11.19918 
1 1 1 -11 7  13 o 305.7061 5.046277 7991.497       263.4372 7851.994       325.0655 8258.434       449.6591 302.9016 6.284451 310.3474 8.484640 -7.445740      10.55857 
1 1 1 -11 7  14 o 99.65414 4.768934 849.2260       81.15561 749.6036       103.1194 1011.340       131.5442 93.34030 6.510250 108.4150 7.145323 -15.07475      9.666386 
1 1 1 -11 7  15 o 98.02971 6.073292 825.9772       101.1673 888.8669       161.3066 785.2002       129.8883 101.2547 9.437741 95.32433 8.054695 5.930382       12.40762 
1 1 1 -11 7  16 o 76.75599 6.781958 509.0056       87.97880 404.2492       124.8788 612.2391       123.9678 67.55763 11.21810 83.94072 8.778219 -16.38309      14.24440 
1 1 1 -11 7  17 o 32.51332 9.488904 92.79871       55.95491 76.93856       71.72867 117.4542       89.43259 31.45688 10.92188 37.43082 12.19281 -5.973936      16.36924 
1 1 1 -11 7  18 o 165.7713 3.923902 2350.767       111.0783 2259.772       137.3741 2522.615       188.7859 162.4405 4.952319 171.4492 6.448107 -9.008652      8.130408 
1 1 1 -11 7  19 o 158.9257 3.960004 2161.207       107.4711 2181.576       134.2828 2124.911       179.2515 159.5786 4.927694 157.2741 6.674271 2.304520       8.296268 
1 1 1 -11 7  20 o 82.03027 5.036155 578.9484       70.20524 576.8237       87.22488 582.8568       118.3016 81.70338 6.300344 81.71710 8.607090 -0.1371765E-01 10.66660 
1 1 1 -11 7  21 o 16.37312 7.473813 -30.46128      46.44624 -33.66478      56.83271 -24.01892      80.59517 18.34284 8.331930 23.28430 10.29437 -4.941465      13.24368 
1 1 1 -11 7  22 o 138.5724 4.334221 1645.455       102.5628 1596.851       125.2982 1744.145       178.5450 136.3783 5.380193 141.9968 7.388729 -5.618546      9.140011 
1 1 1 -11 7  23 o 93.21769 4.972117 747.8813       78.86243 798.5200       97.32819 651.0820       134.5655 96.16853 5.955883 86.07074 9.303384 10.09779       11.04651 
1 1 1 -11 7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 7  25 o 100.4977 4.955828 867.3295       85.04997 800.9902       106.4622 984.3494       141.3970 96.16193 6.521776 106.3287 7.842674 -10.16677      10.20005 
1 1 1 -11 7  26 o 38.78020 8.875553 136.0900       57.50645 184.8737       64.58775 -50.50494      126.3173 45.37599 8.651095 28.11797 12.62902 17.25801       15.30796 
1 1 1 -11 7  27 o 60.43152 5.825677 318.0148       59.37435 266.2379       70.15468 448.7325       111.4695 54.81760 7.707247 70.92423 9.437948 -16.10663      12.18509 
1 1 1 -11 7  28 o 144.4105 5.012327 1799.164       123.6061 1828.838       153.6104 1744.658       208.1899 145.2021 6.195064 140.5017 8.720195 4.700363       10.69676 
1 1 1 -11 7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 7  30 o 48.84099 8.864202 219.1290       71.20809 218.6300       84.70181 220.3316       131.4981 48.15011 10.58937 47.29049 14.71511 0.8596268      18.12924 
1 1 1 -11 7  31 f 68.00018 7.519576 415.5493       85.85703 416.9816       95.89024 409.7594       192.7953 67.67105 8.484436 61.41464 17.52232 6.256413       19.46837 
1 1 1 -11 7  32 o 64.94295 7.614458 383.0071       82.84208 399.9691       103.6119 352.9481       137.9300 65.30398 9.575561 58.42245 14.00695 6.881527       16.96720 
1 1 1 -11 7  33 o 38.13879 11.54276 146.3249       81.61266 125.8662       105.2246 177.2134       129.2937 36.13397 13.15575 41.11914 14.63186 -4.985165      19.67652 
1 1 1 -11 7  34 o 109.3666 5.940712 1069.176       110.5333 1123.764       134.7032 956.6587       193.3929 111.0390 7.141846 97.22889 11.89591 13.81009       13.87511 
1 1 1 -11 7  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 8  1  o 586.1992 9.471554 29463.75       948.1310 29459.96       1368.657 29467.24       1314.690 584.8217 13.70469 585.0938 13.15818 -0.2721558     18.99885 
1 1 1 -11 8  2  o 60.70309 4.871430 316.9860       50.07205 300.4244       71.79634 332.6700       69.86817 58.79763 7.308222 61.99670 6.706342 -3.199070      9.918928 
1 1 1 -11 8  3  o 398.7846 6.058147 13600.22       412.5534 12329.63       692.3082 14299.86       513.7323 379.0571 10.69530 408.7575 7.359854 -29.70038      12.98294 
1 1 1 -11 8  4  o 409.5914 6.322960 14349.07       442.2555 15433.19       753.5135 13779.36       546.2360 424.1584 10.40306 401.1736 7.973445 22.98471       13.10723 
1 1 1 -11 8  5  f 367.2487 5.773253 11532.39       362.0619 11128.39       613.2297 11748.58       448.5974 360.2446 9.968363 370.5394 7.089580 -10.29480      12.23235 
1 1 1 -11 8  6  f 136.1209 4.251732 1583.316       98.83088 1526.378       144.7770 1633.003       135.2453 133.5857 6.346547 138.1954 5.730953 -4.609634      8.551168 
1 1 1 -11 8  7  o 326.3984 5.506564 9108.903       306.9239 8164.464       505.9232 9658.919       386.0869 308.5817 9.600912 335.9943 6.729011 -27.41263      11.72421 
1 1 1 -11 8  8  o 150.7854 3.709065 1942.559       95.50490 1678.229       141.6980 2162.599       129.2829 140.0805 5.923575 159.0627 4.759603 -18.98216      7.598852 
1 1 1 -11 8  9  o 288.8187 5.508942 7133.277       271.7036 7240.162       285.2443 6086.987       892.4516 290.9553 5.741016 263.6453 19.97095 27.31003       20.77975 
1 1 1 -11 8  10 o 324.4189 6.177369 9005.212       342.2249 9238.231       477.3766 8758.839       490.8633 328.2803 8.515581 319.5759 8.994658 8.704468       12.38624 
1 1 1 -11 8  11 o 155.3085 4.201657 2061.700       111.4340 1973.686       138.1774 2225.422       188.4578 151.9082 5.326650 161.2153 6.845512 -9.307159      8.673767 
1 1 1 -11 8  12 o 58.26141 5.602234 293.0983       55.04990 302.1818       67.94862 275.7474       93.91045 59.00209 6.872683 55.77313 10.23750 3.228962       12.33045 
1 1 1 -11 8  13 o 245.3199 4.787696 5147.300       200.5678 5147.344       251.8588 5147.223       331.6071 245.1999 6.014989 244.9542 7.927515 0.2457581      9.951160 
1 1 1 -11 8  14 o 127.1554 5.393949 1383.921       117.1233 1567.617       172.2229 1225.862       159.7539 134.9708 7.501811 119.2502 7.889534 15.72059       10.88678 
1 1 1 -11 8  15 o 264.9482 4.884246 6007.613       220.9838 5945.088       274.2338 6123.399       373.1845 263.3954 6.096924 266.9297 8.186999 -3.534332      10.20781 
1 1 1 -11 8  16 o 104.1295 4.740069 928.1313       84.28696 994.0034       107.6049 823.5447       135.5873 107.5299 5.882341 97.50407 8.219842 10.02582       10.10781 
1 1 1 -11 8  17 o 54.92704 6.984313 263.2809       64.02914 250.9870       77.95808 288.7655       112.2419 53.25787 8.884893 56.61226 11.98375 -3.354385      14.91816 
1 1 1 -11 8  18 o 191.7440 4.916728 3149.821       160.9904 3500.202       246.0918 2887.687       212.8569 201.7493 7.143043 183.3096 6.799867 18.43967       9.862112 
1 1 1 -11 8  19 o 131.9578 4.568113 1491.646       102.9376 1528.269       131.0433 1432.635       166.3418 133.4403 5.750766 128.7310 7.600575 4.709290       9.531005 
1 1 1 -11 8  20 o 254.5356 4.840654 5554.340       210.4042 5620.738       262.1146 5434.042       352.8152 255.7743 6.001121 250.8023 8.237852 4.972015       10.19194 
1 1 1 -11 8  21 o 89.92236 4.947641 695.7058       75.68222 664.5284       88.67379 779.3393       145.2331 87.72636 5.954461 94.37272 9.125840 -6.646362      10.89663 
1 1 1 -11 8  22 o 246.7724 4.546625 5221.929       191.5966 5056.421       231.8111 5578.751       340.3700 242.5626 5.596395 253.9891 7.847553 -11.42651      9.638658 
1 1 1 -11 8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 8  24 o 79.01998 5.546733 539.5037       74.37306 561.7090       91.49923 496.2669       127.6780 80.41907 6.724507 74.68708 10.28349 5.731987       12.28695 
1 1 1 -11 8  25 o 117.3404 4.721733 1182.275       94.61301 1149.483       112.7959 1260.109       173.7798 115.5503 5.716366 120.0938 8.529240 -4.543503      10.26766 
1 1 1 -11 8  26 o 10.98456 5.484492 -111.9920      42.07964 -122.1894      44.39848 -21.94795      131.9323 11.14268 5.573926 30.17572 13.26311 -19.03304      14.38676 
1 1 1 -11 8  27 o 78.35989 6.296284 535.5655       83.54063 504.7165       94.37724 647.2321       179.5595 75.75218 7.389867 83.58512 13.00255 -7.832939      14.95582 
1 1 1 -11 8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 8  29 o 92.86874 5.966879 754.2695       94.12691 806.2632       109.8789 610.9190       182.4478 95.70972 6.766507 79.47212 13.95281 16.23759       15.50698 
1 1 1 -11 8  30 o 80.20713 5.865611 565.1029       79.78212 582.8746       94.91601 522.3170       147.2738 81.02503 6.926472 73.89588 12.08901 7.129150       13.93270 
1 1 1 -11 8  31 f 46.07553 9.384341 200.1305       71.32925 86.12201       92.83231 364.4544       111.4502 32.57696 12.26585 61.67636 10.98450 -29.09940      16.46543 
1 1 1 -11 8  32 o 152.6414 5.147061 2043.124       134.1633 2025.165       162.9810 2080.874       236.2963 150.9622 6.322178 149.4380 9.305806 1.524185       11.25024 
1 1 1 -11 8  33 o 75.81062 6.882171 522.0696       88.12496 595.9227       110.3893 392.3021       146.3273 80.06565 8.189060 59.74327 14.49138 20.32238       16.64514 
1 1 1 -11 8  34 o 33.36910 11.71036 111.0386       82.56438 193.2423       106.2580 -14.21591      131.1633 41.91304 13.25559 27.74074 12.62268 14.17231       18.30417 
1 1 1 -11 9  1  o 284.0950 6.148921 6907.597       298.3077 7342.886       417.5286 6453.718       426.3514 292.6169 8.355740 274.2167 9.104831 18.40021       12.35784 
1 1 1 -11 9  2  o 76.49799 4.381994 501.8712       57.00489 502.9249       82.95952 500.9285       78.46250 76.38499 6.419517 76.27008 6.074657 0.1149063      8.838079 
1 1 1 -11 9  3  o 156.0107 3.974763 2080.096       105.8931 1947.960       161.3640 2180.041       140.3385 150.8705 6.263256 159.6647 5.147142 -8.794128      8.106876 
1 1 1 -11 9  4  o 164.4052 3.894999 2309.858       109.3515 2359.603       173.2608 2276.925       140.9768 166.0594 6.109911 163.1796 5.059177 2.879730       7.932609 
1 1 1 -11 9  5  o 371.3050 5.944392 11795.75       376.9121 11997.77       646.6785 11691.82       463.8434 373.7409 10.13248 369.4648 7.351846 4.276123       12.51866 
1 1 1 -11 9  6  o 296.9963 5.110143 7543.005       259.1708 8160.163       420.8288 7165.900       328.9566 308.5643 7.986525 289.3215 6.658187 19.24280       10.39789 
1 1 1 -11 9  7  o 168.5838 4.275887 2429.336       123.0960 2465.097       168.5475 2388.457       180.2047 169.7399 5.814824 167.0495 6.317121 2.690414       8.585930 
1 1 1 -11 9  8  o 326.8441 5.061726 9136.124       282.5148 8915.521       352.8375 9530.202       471.5860 322.7162 6.402537 333.3629 8.284031 -10.64673      10.46984 
1 1 1 -11 9  9  o 164.4315 3.983219 2311.039       111.8462 2163.326       175.6762 2411.723       145.0393 158.9503 6.472165 167.9202 5.058026 -8.969818      8.214168 
1 1 1 -11 9  10 o 172.8597 3.919586 2554.128       115.7007 2578.325       144.0977 2510.222       194.1057 173.6247 4.860082 171.1896 6.639860 2.435059       8.228495 
1 1 1 -11 9  11 o 307.9752 5.233896 8115.949       275.2598 8204.157       342.2186 7954.304       463.2673 309.4675 6.475698 304.2705 8.915996 5.196991       11.01951 
1 1 1 -11 9  12 o 239.8486 6.402950 4929.421       262.2523 5092.930       391.8077 4796.710       352.9846 243.2880 9.430840 236.2333 8.750092 7.054672       12.86487 
1 1 1 -11 9  13 o 133.2841 4.004092 1519.168       91.13479 1565.053       114.6232 1440.314       150.2627 135.2254 4.963781 129.4092 6.823732 5.816116       8.438154 
1 1 1 -11 9  14 o 123.4094 4.494887 1303.244       94.72598 1335.034       116.6586 1241.718       162.2945 124.8393 5.472220 119.9197 7.970610 4.919624       9.668289 
1 1 1 -11 9  15 o 214.4418 4.184780 3934.726       153.2442 3644.910       189.0302 4490.378       261.7407 206.2521 5.366992 228.7036 6.701876 -22.45151      8.586020 
1 1 1 -11 9  16 o 75.57481 4.929224 491.3091       63.26640 489.3334       77.68597 495.1999       109.0193 75.27441 6.095912 75.30591 8.633557 -0.3150177E-01 10.56875 
1 1 1 -11 9  17 o 169.0541 4.541471 2447.529       131.1065 2494.613       163.2695 2362.050       219.9883 170.5385 5.606359 165.5961 7.779427 4.942368       9.589094 
1 1 1 -11 9  18 o 57.47158 6.535505 287.5686       63.00009 315.3727       79.49043 240.6035       103.3114 59.95778 7.960470 51.48857 11.97593 8.469208       14.38027 
1 1 1 -11 9  19 o 36.90741 7.642417 121.7738       46.58112 202.0396       52.34754 -183.5225      102.0920 48.02757 6.553778 19.43497 9.475770 28.59260       11.52138 
1 1 1 -11 9  20 o 133.6985 3.737175 1530.379       85.32413 1459.037       99.36087 1730.728       166.5093 130.4704 4.459659 141.7247 6.880043 -11.25430      8.198997 
1 1 1 -11 9  21 o 87.92341 11.30293 687.8037       165.7764 727.5249       179.7685 462.0267       428.5902 90.25474 11.95830 72.13351 26.50688 18.12122       29.07947 
1 1 1 -11 9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 9  23 o 97.39859 5.144651 817.1387       85.26431 737.8080       105.8067 964.0748       143.9982 92.23444 6.764849 105.1786 8.079024 -12.94421      10.53726 
1 1 1 -11 9  24 o 49.09378 7.789521 213.8259       63.12324 213.4221       76.10335 214.7162       113.0037 48.65496 9.500428 48.30047 13.28534 0.3544846      16.33274 
1 1 1 -11 9  25 o 118.7289 4.881094 1212.153       98.96364 1153.784       117.0769 1358.234       185.2168 115.4876 5.956839 124.4182 8.773776 -8.930557      10.60486 
1 1 1 -11 9  26 o 78.09146 5.671599 529.6216       75.11678 438.8349       85.92623 823.8947       154.6999 70.65870 7.222823 96.18260 9.544757 -25.52390      11.96961 
1 1 1 -11 9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 9  28 o 58.94766 7.501174 310.2890       73.79829 339.8965       81.87285 182.0065       170.4208 61.56685 7.974755 45.20465 16.69752 16.36221       18.50415 
1 1 1 -11 9  29 o 59.08937 6.889263 311.2226       68.21082 284.6447       78.71690 391.3315       136.6623 55.86433 8.521238 63.31757 13.07244 -7.453239      15.60449 
1 1 1 -11 9  30 o 60.19617 6.895228 324.5122       69.60091 367.7677       83.17487 223.4681       127.1237 63.72812 7.806127 46.84246 14.45066 16.88566       16.42429 
1 1 1 -11 9  31 o 54.83243 7.117434 272.9386       65.07235 279.3733       73.85856 250.6171       137.5615 55.01972 8.103751 48.31094 15.05349 6.708782       17.09615 
1 1 1 -11 9  32 o 55.24742 7.260039 280.1791       66.83557 282.2740       76.48085 273.4094       137.4849 54.81347 8.441724 49.45239 14.98491 5.361073       17.19914 
1 1 1 -11 9  33 f 20.98802 9.268789 -5.221375      65.15806 11.89011       75.91053 -53.11584      126.9992 23.73431 10.24979 25.83014 11.99373 -2.095829      15.77681 
1 1 1 -11 9  34 o 62.48823 8.373116 373.3527       87.10163 371.7381       109.7812 376.0959       143.0978 60.04804 11.11537 56.66026 14.67308 3.387783       18.40790 
1 1 1 -11 10 1  o 258.4229 6.028514 5719.592       266.0377 7001.175       1225.922 5656.255       272.5323 277.4107 26.18826 256.9639 6.210749 20.44681       26.91465 
1 1 1 -11 10 2  o 66.93842 5.594014 386.2137       63.35810 381.7936       74.43503 397.8383       120.7136 66.42146 6.651877 67.09901 10.90989 -0.6775436     12.77784 
1 1 1 -11 10 3  o 35.72927 7.604159 113.6487       44.97133 123.1012       67.46178 106.0887       60.33194 37.24852 10.27293 34.65969 9.771986 2.588821       14.17832 
1 1 1 -11 10 4  f 67.99197 5.020188 397.6451       57.87582 435.7615       83.03866 361.6376       80.70862 70.97038 6.940581 64.51466 7.463687 6.455719       10.19207 
1 1 1 -11 10 5  o 170.5714 4.285365 2487.773       124.8234 2472.481       172.9342 2504.404       180.3533 169.9321 5.959414 171.0080 6.175978 -1.075897      8.582385 
1 1 1 -11 10 6  o 167.1870 4.244785 2390.022       121.1882 2430.249       165.8123 2343.892       177.5623 168.4861 5.763030 165.4240 6.285653 3.062073       8.527717 
1 1 1 -11 10 7  f 88.10040 3.828839 663.5161       57.60323 605.3766       77.52687 735.1707       86.06740 83.92592 5.438737 92.51665 5.472081 -8.590736      7.715150 
1 1 1 -11 10 8  o 607.3703 7.858085 31665.00       815.0274 30914.75       1152.799 32414.79       1152.447 598.4575 11.28024 612.9619 11.00996 -14.50439      15.76271 
1 1 1 -11 10 9  o 277.5958 4.029467 6589.305       191.0127 6885.579       273.7852 6308.330       266.6227 283.5651 5.653994 271.4048 5.752780 12.16028       8.066110 
1 1 1 -11 10 10 o 270.7446 5.127004 6274.823       237.0421 6584.111       410.7643 6120.399       290.2471 276.6755 8.694009 267.2085 6.360857 9.466980       10.77248 
1 1 1 -11 10 11 o 207.7317 4.416147 3692.047       156.6564 3771.763       196.2376 3551.988       260.1139 209.8469 5.476182 203.3632 7.490129 6.483673       9.278502 
1 1 1 -11 10 12 o 139.0437 4.124585 1653.928       97.93402 1747.408       122.1709 1485.863       163.8130 142.8535 5.008121 131.3142 7.334560 11.53931       8.881275 
1 1 1 -11 10 13 o 340.4022 5.839661 9935.207       339.4548 9825.408       422.2531 10135.82       570.7550 338.1144 7.313196 342.5406 9.757438 -4.426147      12.19387 
1 1 1 -11 10 14 o 219.8110 4.808482 4138.082       180.4926 4082.867       224.7158 4238.461       302.9901 218.1485 6.032252 221.8635 7.997252 -3.714966      10.01719 
1 1 1 -11 10 15 o 195.5868 4.276234 3274.797       142.8246 3263.968       175.8611 3295.779       244.7904 195.1302 5.277684 195.7199 7.324152 -0.5897217     9.027577 
1 1 1 -11 10 16 o 205.6279 4.481062 3621.683       157.3493 3585.768       196.7756 3685.372       262.0384 204.4178 5.637034 206.8601 7.417992 -2.442291      9.316800 
1 1 1 -11 10 17 o 81.02708 4.620751 564.4181       63.67098 572.4995       77.15342 547.1629       112.7388 81.48128 5.578490 79.13538 8.474351 2.345894       10.14565 
1 1 1 -11 10 18 o 130.1526 4.110000 1450.858       91.34751 1501.582       112.2036 1351.157       157.3078 132.3141 4.965909 124.9548 7.405190 7.359291       8.916115 
1 1 1 -11 10 19 o 97.95903 4.263466 822.2900       71.31965 686.1516       81.63016 1261.397       146.6038 89.22866 5.382476 120.7309 7.142682 -31.50224      8.943655 
1 1 1 -11 10 20 o 57.66946 15.63695 308.7372       157.8688 308.7372       157.8688 0.000000       0.000000 57.66946 15.63695 ?        ?        0.000000       15.63695 
1 1 1 -11 10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 10 22 o 100.4411 3.977527 864.5559       68.22234 836.4183       77.39178 962.6389       144.4935 98.73298 4.590190 105.0784 8.115429 -6.345421      9.323627 
1 1 1 -11 10 23 o 64.54221 5.952912 361.8328       64.87138 359.0982       69.16984 381.8059       186.9364 64.21221 6.393077 63.46759 16.93417 0.7446213      18.10076 
1 1 1 -11 10 24 o 100.4249 5.074144 869.9768       86.73547 862.9558       100.1668 891.0175       173.4021 99.83869 5.901422 100.0860 10.29229 -0.2473450     11.86415 
1 1 1 -11 10 25 o 64.04955 6.329206 358.8306       68.32002 372.6786       76.76013 306.0436       149.8669 65.11208 7.014254 56.46075 15.20470 8.651329       16.74463 
1 1 1 -11 10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 10 27 o 33.29856 9.645224 101.8884       58.00835 48.97682       64.06792 342.5790       136.6454 26.75845 10.16277 59.34160 13.75315 -32.58315      17.10061 
1 1 1 -11 10 28 o 107.2681 5.036669 998.7099       92.26050 932.5657       110.6211 1149.854       167.2201 102.9972 6.319965 112.9828 8.734960 -9.985619      10.78153 
1 1 1 -11 10 29 o 35.83193 9.078636 120.7769       55.61745 102.3249       61.64771 201.4932       128.9364 33.09250 10.03575 44.82024 14.64205 -11.72773      17.75122 
1 1 1 -11 10 30 o 66.62772 6.005280 394.5039       67.59236 372.6793       76.64692 470.8506       143.3563 64.24756 7.105042 68.63809 12.69836 -4.390533      14.55095 
1 1 1 -11 10 31 o 30.11843 10.00750 84.90631       60.13747 112.7293       67.66828 -19.63830      131.1699 33.97050 10.55355 28.13137 12.73024 5.839132       16.53591 
1 1 1 -11 10 32 o 24.75825 9.779880 41.77459       61.11493 57.13874       69.34633 -11.66307      129.3281 27.15776 10.50748 28.02477 12.66503 -0.8670082     16.45631 
1 1 1 -11 10 33 o 19.15636 8.478084 -6.055983      54.80227 35.98116       64.29359 -117.7441      104.7984 24.22506 9.869918 20.62320 9.946589 3.601860       14.01249 
1 1 1 -11 11 1  o 138.6663 4.295559 1645.108       101.7168 1621.940       162.2313 1660.115       130.5684 137.2896 6.942373 139.2078 5.492531 -1.918274      8.852369 
1 1 1 -11 11 2  o 117.4113 5.125562 1180.377       102.7669 1312.767       424.5203 1172.136       105.9172 119.4380 21.60941 116.9891 5.301749 2.448898       22.25029 
1 1 1 -11 11 3  o 429.5173 8.084501 15861.51       592.9742 16609.58       850.0450 15152.44       827.5901 438.0550 11.36348 418.2868 11.58615 19.76825       16.22860 
1 1 1 -11 11 4  o 209.4965 4.584074 3755.692       163.9949 3701.281       228.3295 3813.670       235.6933 207.7497 6.436054 210.8645 6.545485 -3.114807      9.179661 
1 1 1 -11 11 5  o 207.1521 3.990345 3670.153       141.1567 3775.864       226.1083 3602.642       180.6935 209.8486 6.309699 205.1218 5.158563 4.726776       8.150035 
1 1 1 -11 11 6  o 55.85263 5.135472 269.3514       48.43216 297.1274       64.17527 232.5995       73.81976 58.49744 6.536076 51.28422 8.742751 7.213223       10.91586 
1 1 1 -11 11 7  o 117.6566 3.580984 1183.641       71.94830 1140.206       103.2483 1224.643       100.3156 115.3845 5.240029 119.6025 4.911636 -4.218071      7.182066 
1 1 1 -11 11 8  o 179.1988 3.698497 2746.124       113.1781 2772.965       161.4300 2720.176       158.7203 179.9296 5.253875 178.2128 5.215449 1.716827       7.402980 
1 1 1 -11 11 9  o 82.10822 6.363106 581.8228       88.52232 789.6094       151.8905 474.9433       108.9354 95.20528 9.468194 73.73036 8.827606 21.47491       12.94501 
1 1 1 -11 11 10 o 172.3048 3.872035 2539.647       113.9301 2531.968       166.2433 2546.448       156.4457 171.8624 5.664496 172.3941 5.314219 -0.5316620     7.767075 
1 1 1 -11 11 11 o 84.13525 4.153298 605.7646       59.67233 609.9764       84.16580 601.5078       84.61483 84.12799 5.895851 83.52898 5.971461 0.5990143      8.391627 
1 1 1 -11 11 12 f 147.1374 3.933331 1852.424       98.82928 1950.849       127.3651 1703.486       156.6751 150.9032 4.942541 140.8384 6.514437 10.06476       8.177200 
1 1 1 -11 11 13 o 196.4033 4.285122 3302.542       143.7189 3380.308       181.5338 3171.944       235.2500 198.5513 5.354053 192.0121 7.174623 6.539230       8.952157 
1 1 1 -11 11 14 f 76.68183 5.028771 506.2182       65.48540 497.6796       80.20243 523.2960       113.4254 75.85895 6.246790 77.34366 8.741242 -1.484711      10.74391 
1 1 1 -11 11 15 o 204.5755 4.418266 3585.190       154.3503 3569.791       195.5105 3610.665       251.4729 203.9294 5.614204 204.7454 7.192420 -0.8160553     9.124155 
1 1 1 -11 11 16 o 84.34715 4.615022 611.5936       66.22112 644.1491       82.03229 550.6893       112.2011 86.43643 5.587486 79.37718 8.405385 7.059250       10.09309 
1 1 1 -11 11 17 o 245.1205 4.813256 5153.136       201.4747 5347.284       249.9123 4792.688       340.5197 249.4254 5.867393 235.2936 8.474815 14.13177       10.30771 
1 1 1 -11 11 18 o 312.8446 19.28762 9021.836       1025.384 9133.974       1253.028 8794.518       1784.033 308.7444 23.95370 281.2314 38.13145 27.51306       45.03096 
1 1 1 -11 11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 11 21 f 103.1414 4.038057 911.8879       71.12254 908.2159       80.83825 924.4686       149.6308 102.8734 4.601634 102.8009 8.602663 0.7247162E-01  9.756067 
1 1 1 -11 11 22 o 48.35694 8.210382 208.5253       65.37451 197.7874       72.28979 256.7319       153.1686 46.80616 9.371131 52.65321 15.78563 -5.847054      18.35767 
1 1 1 -11 11 23 o 51.91472 6.201534 236.0927       53.89014 221.4738       56.51525 382.5789       178.8985 50.13427 6.774810 63.13766 16.43339 -13.00339      17.77511 
1 1 1 -11 11 24 o 72.82767 4.800515 458.8763       59.36682 426.0078       64.34537 646.9605       153.9230 70.03040 5.422853 84.49564 10.92334 -14.46523      12.19536 
1 1 1 -11 11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 11 26 o 98.61932 4.046323 837.8820       68.14352 737.4666       74.81640 1326.671       165.0660 92.24414 4.765869 122.3175 7.945604 -30.07338      9.265319 
1 1 1 -11 11 27 o 154.8373 3.970551 2068.090       104.9852 1897.420       117.7635 2728.976       231.7366 148.0270 4.658736 175.3837 7.737551 -27.35667      9.031806 
1 1 1 -11 11 28 o 25.73537 8.226303 58.83965       40.83998 71.04216       42.32338 -106.1395      155.6218 27.86731 8.285030 27.87591 13.05288 -0.8604050E-02 15.46025 
1 1 1 -11 11 29 o 65.24304 5.453325 375.6940       60.20009 389.3227       65.51447 301.7658       152.5862 66.26336 5.849838 52.70102 15.74555 13.56234       16.79711 
1 1 1 -11 11 30 o 48.48698 7.227896 215.9896       58.01781 193.8859       67.11559 281.3447       115.4065 45.03378 9.041495 51.84560 13.04583 -6.811829      15.87269 
1 1 1 -11 11 31 o 57.79622 6.145390 301.2807       59.72234 234.0651       69.00611 501.8870       119.2133 49.71684 8.429090 71.97240 9.967209 -22.25556      13.05354 
1 1 1 -11 11 32 o 30.98608 8.617484 93.80038       47.25470 58.95502       52.34970 247.1248       109.8114 25.82475 9.297503 47.23960 13.13615 -21.41485      16.09354 
1 1 1 -11 12 1  o 111.3040 4.322188 1060.440       82.15167 1084.925       127.1117 1042.876       107.6569 112.1934 6.664557 110.1245 5.744654 2.068886       8.798714 
1 1 1 -11 12 2  o 114.0889 4.748794 1114.679       92.51848 1135.377       128.7875 1092.606       132.9957 114.7985 6.597283 112.5519 6.953692 2.246620       9.585299 
1 1 1 -11 12 3  o 174.2717 4.564971 2600.180       135.8522 2626.533       220.7450 2584.114       172.3587 174.7683 7.396500 173.5862 5.814552 1.182129       9.408359 
1 1 1 -11 12 4  o 147.2517 4.792515 1856.891       120.5107 1699.225       346.4709 1878.591       128.5365 138.3618 14.89879 148.0821 5.083023 -9.720337      15.74201 
1 1 1 -11 12 5  o 113.0581 4.136588 1093.816       79.86306 1067.852       117.7034 1115.968       108.7178 111.3816 6.213087 114.0930 5.580074 -2.711388      8.351029 
1 1 1 -11 12 6  o 61.55437 4.948219 326.6365       51.57323 302.9572       68.43382 357.7635       78.46130 58.98311 6.926061 64.09980 7.298092 -5.116692      10.06143 
1 1 1 -11 12 7  o 165.9930 5.053262 2360.751       143.2397 2265.164       217.0331 2434.522       190.6623 162.2058 7.835339 168.3572 6.631799 -6.151398      10.26515 
1 1 1 -11 12 8  o 102.4855 3.975791 898.7850       69.58057 1003.630       97.39532 789.4918       99.44012 108.2079 5.270807 95.71664 6.115710 12.49126       8.073618 
1 1 1 -11 12 9  o 131.6386 3.647443 1482.444       81.99242 1494.138       113.7541 1469.799       118.2884 132.0404 5.044966 130.9365 5.290288 1.103943       7.310187 
1 1 1 -11 12 10 o 165.2955 3.722964 2337.806       105.0877 2518.668       149.8170 2162.626       147.4443 171.4101 5.118264 158.7928 5.437449 12.61728       7.467428 
1 1 1 -11 12 11 o 37.70147 7.663365 126.8506       47.65625 154.8819       59.07513 74.61497       80.64302 41.60107 8.599841 31.91070 11.53244 9.690365       14.38592 
1 1 1 -11 12 12 o 131.1107 3.856194 1471.355       86.33743 1592.366       128.4342 1371.586       116.6183 136.2201 5.521255 126.4381 5.401157 9.781921       7.723778 
1 1 1 -11 12 13 o 124.2476 3.892375 1321.589       82.58564 1436.752       105.5426 1139.722       132.6319 129.4618 4.774022 114.8767 6.791230 14.58513       8.301331 
1 1 1 -11 12 14 o 109.0474 3.994927 1018.305       74.39201 1135.273       93.93365 821.5132       121.8406 115.0673 4.780435 97.32970 7.385756 17.73759       8.797837 
1 1 1 -11 12 15 o 197.0967 4.504538 3329.944       151.6113 3569.240       190.4144 2915.495       250.5927 203.8662 5.469565 183.6525 7.990421 20.21370       9.683128 
1 1 1 -11 12 16 o 79.61700 15.93617 586.7645       209.1058 546.6172       242.3201 703.8431       413.8089 75.90672 18.79381 84.20174 26.08792 -8.295029      32.15256 
1 1 1 -11 12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 12 19 o 235.3255 5.399800 4760.422       216.9944 4936.060       267.8934 4425.332       370.0286 239.2452 6.557177 225.2486 9.619914 13.99657       11.64214 
1 1 1 -11 12 20 o 223.4866 4.350315 4284.598       166.0252 4080.977       189.3750 4960.947       345.1411 217.9239 5.088805 238.9317 8.459036 -21.00783      9.871738 
1 1 1 -11 12 21 o 116.9764 4.264244 1174.447       85.18089 1172.022       92.40608 1188.155       219.7416 116.8008 4.632899 115.3757 11.29809 1.425079       12.21108 
1 1 1 -11 12 22 o 103.2946 4.138354 916.4049       72.99739 924.3645       80.09315 877.3605       177.3900 103.6829 4.523623 98.93936 10.66799 4.743530       11.58746 
1 1 1 -11 12 23 o 64.58873 4.724685 361.4188       51.74965 321.1503       55.09650 662.9863       150.7764 60.73206 5.367831 85.58089 10.53977 -24.84883      11.82794 
1 1 1 -11 12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 12 25 o 121.9862 4.759544 1286.931       99.14663 1295.181       117.0886 1266.027       186.3777 122.0719 5.616903 118.5903 9.277213 3.481682       10.84510 
1 1 1 -11 12 26 o 105.6035 7.524672 992.4607       134.8088 642.9942       219.6073 1203.781       170.7710 78.68249 16.85214 115.5711 8.717086 -36.88857      18.97320 
1 1 1 -11 12 27 o 90.85059 8.534624 749.5433       130.8559 803.4030       234.6963 725.2474       157.6310 87.79848 16.25228 87.88214 10.72620 -0.8365631E-01 19.47275 
1 1 1 -11 12 28 o 60.16793 11.38134 353.8358       112.6558 373.8209       222.5280 346.9486       130.6329 55.78477 19.24471 58.17403 13.42290 -2.389256      23.46344 
1 1 1 -11 12 29 o 24.20889 10.89257 -19.89009      94.44691 -185.5004      212.9627 20.65788       105.3767 29.51126 14.21958 27.88738 12.05978 1.623880       18.64496 
1 1 1 -11 12 30 o 95.86093 8.039193 851.0867       130.3848 972.6140       282.7361 818.2618       146.9423 87.92137 19.35567 92.67166 9.416130 -4.750290      21.52453 
1 1 1 -11 12 31 o 44.24670 13.14502 216.8105       106.5695 444.7663       269.1420 174.4252       116.0549 52.82586 20.62708 39.63445 13.88513 13.19141       24.86510 
1 1 1 -11 13 1  o 314.1382 5.461162 8465.836       292.9595 8946.123       502.1783 8218.052       360.6983 321.5586 9.145255 309.0940 6.833632 12.46460       11.41640 
1 1 1 -11 13 2  o 234.9036 5.203660 4731.616       208.7375 4506.523       301.0999 4939.892       289.6329 228.6652 7.710961 239.5833 7.079287 -10.91805      10.46782 
1 1 1 -11 13 3  o 43.69479 6.789799 168.0098       49.01805 119.1651       68.39248 219.6030       70.29047 36.58809 10.43539 49.74051 8.585607 -13.15242      13.51333 
1 1 1 -11 13 4  o 72.40266 4.648129 450.9599       57.16546 421.1976       78.16576 485.1823       83.81823 69.68060 6.649766 74.83367 6.627585 -5.153069      9.388519 
1 1 1 -11 13 5  o 157.6469 6.768283 2137.535       182.2074 2519.271       413.8400 2045.740       202.9356 168.3887 14.53430 153.8623 7.748517 14.52644       16.47075 
1 1 1 -11 13 6  o 34.83813 9.353133 108.6860       56.81361 66.69050       67.13431 214.6503       106.6406 29.70567 10.54635 48.61949 12.70387 -18.91382      16.51102 
1 1 1 -11 13 7  o 140.6242 3.880355 1692.653       93.18227 1635.755       138.0659 1740.253       126.2805 138.0221 5.857818 142.4485 5.191304 -4.426407      7.827111 
1 1 1 -11 13 8  o 170.9557 3.646925 2500.962       106.4664 2330.001       154.4657 2655.688       146.9479 164.7772 5.489501 176.0085 4.889088 -11.23126      7.351040 
1 1 1 -11 13 9  o 27.50628 8.359685 65.70441       42.74202 89.40328       54.69884 28.54394       68.49438 31.86345 9.405447 25.67927 10.28497 6.184179       13.93711 
1 1 1 -11 13 10 o 52.12492 5.480167 235.7600       48.04948 235.2651       61.31049 236.5480       77.35815 51.78699 7.121291 51.51949 9.126999 0.2675056      11.57648 
1 1 1 -11 13 11 o 124.1451 3.497699 1318.890       74.15049 1439.025       105.1165 1199.900       104.6145 129.5530 4.751401 118.2541 5.180526 11.29890       7.029485 
1 1 1 -11 13 12 o 285.0724 4.371120 6964.190       212.7894 6792.792       302.7791 7131.462       299.1135 280.9872 6.310118 287.9840 6.082271 -6.996826      8.764223 
1 1 1 -11 13 13 o 49.10729 15.30577 215.7315       142.2000 218.1078       171.3822 210.4806       254.7600 50.26371 16.89689 53.57986 20.28558 -3.316154      26.40094 
1 1 1 -11 13 14 o 57.47704 24.37748 107.4495       415.3824 0.000000       0.000000 107.4495       415.3824 ?        ?        57.47704 24.37748 0.000000       24.37748 
1 1 1 -11 13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 13 16 o 277.5254 5.481447 6618.862       259.7765 6500.920       318.7679 6852.069       448.2409 274.5660 6.798700 280.6501 9.352860 -6.084015      11.56280 
1 1 1 -11 13 17 o 17.43188 7.683577 -12.45122      44.56612 -62.34735      47.34420 375.6704       132.0436 14.45065 6.893578 64.17421 12.49856 -49.72356      14.27359 
1 1 1 -11 13 18 o 80.63506 5.515224 561.8461       75.48735 652.7568       84.34383 195.8802       169.2256 86.90576 5.715208 48.13048 16.77216 38.77528       17.71917 
1 1 1 -11 13 19 o 144.9233 4.818440 1804.872       119.2468 1766.238       141.3822 1900.097       221.9655 143.1615 5.783182 147.3252 8.864064 -4.163757      10.58380 
1 1 1 -11 13 20 o 77.22312 5.564527 516.8885       72.88822 536.2568       81.57455 440.1973       162.3237 78.54087 6.130721 68.44025 14.34756 10.10062       15.60251 
1 1 1 -11 13 21 o 146.1726 4.079909 1836.228       101.8400 1838.369       114.7063 1828.260       221.3113 146.1303 4.596688 143.7787 9.060122 2.351593       10.15950 
1 1 1 -11 13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 13 23 o 80.10329 9.771235 582.2577       130.8899 632.5458       227.9990 557.5372       159.8560 78.93301 17.38487 76.91706 12.60731 2.015953       21.47505 
1 1 1 -11 13 24 o 61.35214 10.94655 352.8377       110.4790 178.1995       172.4836 474.3293       143.8637 44.66924 16.73886 70.54669 12.39417 -25.87745      20.82798 
1 1 1 -11 13 25 o 51.01311 12.85004 256.5430       111.8839 186.0772       195.6402 290.7896       136.3885 45.37415 17.62270 53.53564 14.54184 -8.161491      22.84786 
1 1 1 -11 13 26 o 67.20328 10.54586 427.2032       117.0410 289.2971       200.8384 498.1228       144.0251 51.46747 18.24452 71.53844 12.22888 -20.07096      21.96379 
1 1 1 -11 13 27 o 36.81115 13.25855 127.9875       106.4676 89.31028       219.3345 139.9100       121.7767 39.59583 17.25941 38.35278 14.12386 1.243050       22.30181 
1 1 1 -11 13 28 f 21.77253 10.17056 -63.86118      93.53628 -129.1161      213.7502 -48.40597      104.0249 30.94805 14.73144 23.84300 10.99451 7.105049       18.38191 
1 1 1 -11 13 29 o 69.20657 9.764865 462.6541       112.1958 548.7028       228.0407 435.1726       128.8724 64.60996 19.23653 65.24182 12.00983 -0.6318588     22.67774 
1 1 1 -11 13 30 o 73.49573 11.08447 548.7743       134.7922 1071.443       280.2888 391.5316       153.7367 91.28947 18.61088 57.41353 15.37386 33.87594       24.13960 
1 1 1 -11 14 1  o 34.29887 16.35453 -318.7155      265.8351 -253.2817      331.6184 -436.3696      444.6732 41.41780 19.28115 45.39694 21.50385 -3.979137      28.88214 
1 1 1 -11 14 2  o 301.2595 17.05861 8180.168       873.9756 8021.345       1520.227 8258.574       1068.136 280.1833 32.36922 298.6187 21.08175 -18.43533      38.62910 
1 1 1 -11 14 3  o 191.9787 10.10908 3213.696       330.2430 2833.189       456.2166 3632.560       478.6594 177.9140 15.16079 202.2879 13.94166 -24.37387      20.59659 
1 1 1 -11 14 4  o 62.77701 13.10191 359.0362       135.9157 289.7993       170.1293 481.1862       225.9731 56.27401 16.58081 71.56158 18.39160 -15.28757      24.76235 
1 1 1 -11 14 5  o 80.70131 12.18603 582.8857       162.7052 606.8856       215.9059 551.3429       247.5203 81.11249 16.15502 76.41631 19.03809 4.696175       24.96865 
1 1 1 -11 14 6  o 318.8608 15.12580 9050.989       823.6096 8558.090       1159.076 9553.679       1170.529 301.8897 22.64845 320.4335 21.51638 -18.54379      31.23950 
1 1 1 -11 14 7  o 53.31577 13.48100 260.5055       122.8115 229.3660       145.9726 335.9500       227.2108 50.49690 15.46955 60.74561 19.40186 -10.24870      24.81409 
1 1 1 -11 14 8  o 105.3222 11.82611 983.7025       209.0223 1035.892       281.2364 919.2976       312.4211 106.5758 15.94270 98.92354 19.18670 7.652298       24.94592 
1 1 1 -11 14 9  o 118.9727 12.49842 1257.819       250.1291 1302.845       347.5620 1209.445       360.2511 118.9005 17.65377 113.7253 19.23606 5.175217       26.10903 
1 1 1 -11 14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 14 13 o 76.58450 4.854362 505.2882       63.15726 581.4692       80.53033 383.5583       101.7970 82.03214 5.785840 65.80425 9.319516 16.22789       10.96947 
1 1 1 -11 14 14 o 88.92563 5.074645 681.2812       76.74152 693.9532       87.71081 639.9109       158.4800 89.63701 5.760630 84.70070 11.23402 4.936310       12.62490 
1 1 1 -11 14 15 o 114.0859 4.735897 1117.176       92.26485 1062.363       107.8779 1266.500       178.0555 110.9763 5.711834 120.4216 8.717591 -9.445366      10.42216 
1 1 1 -11 14 16 o 39.10687 7.835206 137.1573       50.50115 127.6883       54.40594 196.1096       135.7521 37.58776 8.655011 46.84418 15.00063 -9.256416      17.31843 
1 1 1 -11 14 17 o 136.9432 5.025634 1612.867       117.5258 1603.867       134.5946 1641.756       241.1322 136.4021 5.778359 136.1796 10.44878 0.2225647      11.94012 
1 1 1 -11 14 18 o 196.5048 4.984574 3324.075       167.2642 3228.689       200.9347 3539.333       301.8508 193.2782 6.087938 201.0459 8.792151 -7.767761      10.69415 
1 1 1 -11 14 19 o 88.59541 5.596781 680.9313       84.23904 706.1599       93.65501 574.0520       192.7664 90.08917 6.124106 77.59040 15.09192 12.49877       16.28714 
1 1 1 -11 14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 14 22 o 26.79177 11.75133 -9.545144      103.0973 52.83887       164.7858 -49.67042      132.1576 36.52290 15.41454 28.11480 12.74540 8.408102       20.00133 
1 1 1 -11 14 23 o 50.02003 13.20742 246.3779       114.4802 16.89572       203.3707 352.8242       138.5095 37.26664 16.42062 59.65049 13.86160 -22.38385      21.48909 
1 1 1 -11 14 24 o 30.69584 12.41912 54.71346       100.9721 120.8362       161.6444 12.40369       129.3021 39.59365 15.82046 30.58459 13.29238 9.009066       20.66336 
1 1 1 -11 14 25 o 70.01702 10.26713 463.5479       119.1125 370.3642       204.0495 511.7135       146.7014 56.70716 18.41454 72.15012 12.35092 -15.44295      22.17296 
1 1 1 -11 14 26 o 21.82019 10.25544 -77.39375      97.60143 -51.81739      188.4374 -86.77084      114.0990 31.87065 14.73169 23.51239 11.06272 8.358263       18.42299 
1 1 1 -11 14 27 o 48.75985 12.70936 249.2014       106.9037 515.0701       250.5998 190.0551       118.1981 61.33968 20.43109 42.13683 14.03141 19.20285       24.78527 
1 1 1 -11 14 28 o 26.11431 11.83770 -19.15714      113.9817 -77.34021      218.8294 2.505472       133.5250 32.09806 15.16857 28.99026 13.00509 3.107803       19.98044 
1 1 1 -11 14 29 o 81.32426 8.668601 631.8152       118.5292 1022.517       236.9321 501.3961       136.8900 94.38412 15.21770 69.17393 12.02502 25.21019       19.39535 
1 1 1 -11 15 1  o 86.22649 10.67335 658.4286       153.8029 0.000000       0.000000 658.4286       153.8029 ?        ?        86.22649 10.67335 0.000000       10.67335 
1 1 1 -11 15 2  o 245.4953 5.023795 5171.592       210.6091 5444.125       355.9337 5024.767       261.2523 250.7998 8.310745 241.6320 6.331459 9.167816       10.44777 
1 1 1 -11 15 3  o 40.54549 9.117112 148.1628       61.59274 64.45553       95.22947 208.3634       80.75887 32.26919 12.35801 48.04353 10.16101 -15.77434      15.99896 
1 1 1 -11 15 4  o 124.8579 4.513995 1336.434       96.24519 1290.608       156.5137 1364.300       122.0486 122.0350 7.547495 126.0069 5.672007 -3.971825      9.441205 
1 1 1 -11 15 5  o 108.4710 4.388741 1008.460       81.29343 1181.784       126.9883 888.1094       105.8181 117.0052 6.379683 101.4267 6.138413 15.57856       8.853275 
1 1 1 -11 15 6  o 110.0726 5.587783 1043.628       104.6873 990.5171       137.3376 1117.286       161.7373 106.8325 7.577229 113.2875 8.420576 -6.455002      11.32786 
1 1 1 -11 15 7  o 163.9253 5.272521 2307.442       147.5932 2768.861       390.1605 2230.385       159.4416 176.6035 13.02927 161.0697 5.796767 15.53374       14.26059 
1 1 1 -11 15 8  o 232.8843 5.223090 4657.263       207.7158 4608.766       261.9511 4739.409       340.9210 231.2657 6.632956 233.8192 8.538306 -2.553436      10.81197 
1 1 1 -11 15 9  o 86.60677 5.054473 646.1331       74.42847 690.3687       101.9655 595.6845       108.8910 89.23530 6.741102 82.62936 7.809721 6.605942       10.31669 
1 1 1 -11 15 10 o 196.5851 4.279285 3313.107       143.6560 3295.257       209.1059 3329.061       197.6946 195.6039 6.260180 196.7031 5.885477 -1.099289      8.592363 
1 1 1 -11 15 11 o 84.91093 4.782122 620.7449       69.05807 615.2748       92.24150 627.7211       104.1683 84.24775 6.460818 84.93640 7.251386 -0.6886520     9.712094 
1 1 1 -11 15 12 o 39.89419 8.169009 142.9173       53.77919 151.9852       67.31834 126.9213       89.40963 40.92961 9.767422 38.14949 12.16938 2.780117       15.60437 
1 1 1 -11 15 13 o 61.08332 5.719537 324.0099       58.96571 291.9101       72.07321 388.9900       102.5447 57.58924 7.507295 66.14989 9.337481 -8.560650      11.98115 
1 1 1 -11 15 14 o 28.82547 9.026686 72.12370       49.39378 -14.53592      55.64141 394.3131       107.2866 19.48736 8.587704 66.41936 9.749242 -46.93201      12.99217 
1 1 1 -11 15 15 f 105.5326 5.120897 958.8142       92.28576 949.6616       106.9333 985.5273       182.6839 104.7002 6.005967 105.2331 10.29788 -0.5329056     11.92132 
1 1 1 -11 15 16 o 34.66484 10.10833 108.6622       63.52246 122.3261       70.69496 51.38921       144.7358 36.68391 10.65419 35.62656 14.69523 1.057346       18.15108 
1 1 1 -11 15 17 f 108.1117 5.331506 1009.618       98.42933 1031.880       111.8225 933.0275       207.4162 108.9622 6.033196 100.8476 12.29890 8.114563       13.69899 
1 1 1 -11 15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 15 19 o 79.29343 5.629246 548.0325       75.72823 502.4454       85.65248 711.2655       162.0777 75.58072 6.705963 88.05505 11.02005 -12.47433      12.90005 
1 1 1 -11 15 20 o 81.24062 5.343953 575.0239       73.72370 606.7274       84.19956 470.8678       152.6157 83.25922 5.961549 69.98259 13.25577 13.27663       14.53464 
1 1 1 -11 15 21 o 21.83690 10.39310 -117.4371      106.3164 -90.47353      200.0043 -128.0569      125.5191 32.92457 15.20417 23.94693 11.36689 8.977636       18.98349 
1 1 1 -11 15 22 o 41.92125 13.62906 170.6973       111.7631 -60.64396      204.3694 269.4024       133.4933 34.00358 15.58013 51.47019 14.54430 -17.46661      21.31378 
1 1 1 -11 15 23 o 77.54466 9.701597 559.3386       125.6571 666.7552       180.8842 459.1529       174.6897 81.94209 13.38933 65.91424 15.73729 16.02785       20.66245 
1 1 1 -11 15 24 o 40.49999 13.12311 165.2778       103.6642 283.5632       166.2446 90.02315       132.6016 50.41901 16.63354 35.04078 14.21272 15.37824       21.87866 
1 1 1 -11 15 25 o 24.37458 11.13069 -36.47736      103.1474 -41.11284      225.4068 -35.24958      116.0061 34.39240 15.97248 25.89798 11.81771 8.494413       19.86903 
1 1 1 -11 15 26 o 42.24427 12.73440 187.8769       99.47864 311.9962       197.7869 145.8464       115.0960 49.95822 18.05987 37.88980 13.76450 12.06842       22.70727 
1 1 1 -11 15 27 o 52.80678 13.04084 301.9232       116.8996 509.0986       201.9655 197.5468       143.3538 62.98665 17.92150 41.63169 15.32522 21.35496       23.58055 
1 1 1 -11 15 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 16 1  o 81.09987 5.017690 567.3538       69.14924 529.8104       109.8913 591.9640       88.97207 77.63342 8.424390 82.59789 6.356697 -4.964470      10.55357 
1 1 1 -11 16 2  f 81.11774 5.595909 568.9015       77.04138 513.1560       120.4267 607.5220       100.2368 76.12188 9.468898 83.53265 7.094090 -7.410767      11.83157 
1 1 1 -11 16 3  o 153.6748 4.395641 2026.081       115.3525 1849.680       185.5505 2137.204       147.2697 145.9936 7.467619 157.6262 5.471205 -11.63255      9.257398 
1 1 1 -11 16 4  o 34.01976 10.06249 102.9632       62.55161 208.3887       91.08515 8.867173       86.05194 47.72993 11.34249 26.37102 11.13502 21.35890       15.89468 
1 1 1 -11 16 5  o 58.10275 6.712945 295.2070       65.37966 217.7460       93.57549 369.0840       91.38503 48.77918 11.43301 64.65050 8.482220 -15.87132      14.23593 
1 1 1 -11 16 6  o 104.5798 4.680953 938.9811       83.59570 959.6497       124.3912 921.9582       112.8885 105.1528 6.966812 103.1812 6.439037 1.971558       9.486711 
1 1 1 -11 16 7  o 85.99463 4.889137 637.3224       71.50032 574.8311       105.2250 690.9254       97.45487 81.08744 7.691128 89.25571 6.437098 -8.168266      10.02944 
1 1 1 -11 16 8  o 67.32139 8.770827 401.1237       98.43675 0.000000       0.000000 401.1237       98.43675 ?        ?        67.32139 8.770827 0.000000       8.770827 
1 1 1 -11 16 9  f 177.0020 4.769658 2691.995       144.1675 2634.095       178.1765 2801.771       245.3359 174.7764 5.969883 179.5513 8.001486 -4.774887      9.983150 
1 1 1 -11 16 10 o 100.0700 4.742633 860.6973       81.04484 842.5764       110.7726 881.5701       118.8865 98.48952 6.624804 100.6654 6.958641 -2.175835      9.607846 
1 1 1 -11 16 11 o 120.9564 4.169136 1256.077       86.11462 1208.471       123.7685 1300.748       119.8928 118.1056 6.158070 122.7924 5.717678 -4.686806      8.403193 
1 1 1 -11 16 12 o 96.71259 4.420557 803.9858       73.00657 910.1255       102.5224 694.7921       103.9869 102.4724 5.883482 89.23199 6.877295 13.24043       9.050555 
1 1 1 -11 16 13 o 91.54186 4.772605 723.5754       74.34821 742.5986       97.46556 697.1009       114.9804 92.38709 6.213988 89.07572 7.632689 3.311371       9.842337 
1 1 1 -11 16 14 o 105.5993 4.949829 961.7893       89.25924 1008.678       116.2370 894.4037       139.3455 107.6156 6.353266 100.6592 8.177260 6.956383       10.35527 
1 1 1 -11 16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 16 17 f 88.16512 5.500409 676.8293       82.39890 627.7817       92.16796 872.1041       183.9053 84.59589 6.428203 97.31861 11.27500 -12.72272      12.97873 
1 1 1 -11 16 18 o 74.12867 5.738123 481.0104       72.07117 444.1066       82.56600 599.1257       147.7129 70.81647 6.915823 80.32428 11.06232 -9.507813      13.04620 
1 1 1 -11 16 19 o 87.28215 5.189801 664.1310       77.00462 669.9731       88.68490 646.2310       155.2360 87.37476 5.979716 83.07705 11.23014 4.297707       12.72294 
1 1 1 -11 16 20 o 57.14145 6.572845 290.8452       62.96836 296.5827       68.19338 257.6503       164.0277 57.51844 7.093046 49.86787 16.52566 7.650570       17.98357 
1 1 1 -11 16 21 o 56.69933 12.77454 320.2459       120.7205 109.5334       175.3037 510.2949       166.4864 39.24840 16.17903 70.85684 14.25307 -31.60844      21.56180 
1 1 1 -11 16 22 o 64.50502 10.40034 397.8412       110.6666 523.9672       176.1869 315.6544       142.2238 70.35651 15.11512 54.36655 14.88393 15.98996       21.21316 
1 1 1 -11 16 23 f 85.38211 8.266712 672.4023       119.0226 620.7450       186.8830 707.6545       154.3822 76.12115 14.91022 85.45135 10.82234 -9.330193      18.42383 
1 1 1 -11 16 24 o 26.21294 11.86074 -21.77941      113.8257 79.54860       198.3918 -71.50233      138.9752 37.11486 16.28977 26.56454 12.40506 10.55033       20.47540 
1 1 1 -11 16 25 o 73.27010 8.700500 507.8345       106.7335 377.8723       180.0401 578.2612       132.5346 55.04104 17.23323 76.73816 10.38024 -21.69712      20.11799 
1 1 1 -11 16 26 o 24.96557 11.18783 -5.378071      98.54077 222.1972       229.2056 -56.97937      109.1423 42.56080 18.08238 23.54148 10.99332 19.01932       21.16189 
1 1 1 -11 17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 17 2  o 82.28368 6.485948 590.6857       90.39691 600.3555       120.8294 578.3933       136.2334 82.25999 8.735321 80.19668 10.17682 2.063316       13.41169 
1 1 1 -11 17 3  o 180.1345 4.478209 2791.171       137.7537 2911.044       234.6694 2728.147       170.1548 182.7375 7.520154 177.7170 5.606778 5.020508       9.380228 
1 1 1 -11 17 4  o 45.90966 8.319676 189.8334       62.82306 171.2996       94.04336 204.7694       84.42358 43.00369 12.22699 47.10337 10.73473 -4.099682      16.27064 
1 1 1 -11 17 5  o 119.4684 4.422313 1227.500       90.22032 1200.401       138.3533 1247.548       119.0034 117.3326 6.935900 120.1283 5.801127 -2.795616      9.042111 
1 1 1 -11 17 6  o 142.5501 4.078351 1745.899       99.27825 1780.118       151.4623 1720.124       131.4551 143.3607 6.186892 141.1480 5.453818 2.212723       8.247531 
1 1 1 -11 17 7  o 91.24500 4.891491 719.4239       75.93951 690.7956       111.7318 744.0018       103.5264 88.71249 7.444303 92.34856 6.608435 -3.636070      9.954349 
1 1 1 -11 17 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 17 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 17 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 17 12 o 91.02673 9.755194 746.4651       149.2751 713.3140       226.5030 771.9197       198.4763 85.32465 16.13637 90.71144 13.19997 -5.386795      20.84758 
1 1 1 -11 17 13 o 33.97853 9.558867 106.1142       57.79515 172.0694       70.92938 -24.19233      99.69759 43.05585 9.859314 25.59345 11.37569 17.46240       15.05365 
1 1 1 -11 17 14 o 76.07487 5.576498 505.0507       71.93961 468.7478       93.54005 557.6125       112.5543 72.57938 7.662996 78.87994 8.489598 -6.300568      11.43656 
1 1 1 -11 17 15 o 21.95188 9.490882 -1.893684      65.23547 -10.58463      72.32831 36.01248       151.0531 22.40906 9.835549 34.38867 14.64645 -11.97961      17.64247 
1 1 1 -11 17 16 o 49.61338 8.121605 223.9268       66.42709 271.7431       76.48491 77.13772       134.0092 54.62373 8.474145 35.38649 14.31066 19.23724       16.63148 
1 1 1 -11 17 17 o 34.18958 9.986507 109.2790       61.95422 102.4689       67.37214 146.5846       157.6853 33.35976 10.55549 41.39978 15.89098 -8.040020      19.07725 
1 1 1 -11 17 18 o 43.92213 8.384931 178.4007       60.59641 192.9162       68.05223 122.8326       133.1494 45.44424 9.086775 38.21186 14.61777 7.232384       17.21188 
1 1 1 -11 17 19 o 24.22110 9.324164 39.84594       54.39248 46.22275       58.11005 -5.262664      154.5536 25.40051 9.671128 31.64074 14.10706 -6.240231      17.10380 
1 1 1 -11 17 20 o 28.35140 8.650035 74.59741       45.69803 33.87275       48.91869 353.6848       128.0608 22.71624 8.815071 58.85521 13.08100 -36.13897      15.77397 
1 1 1 -11 17 21 o 32.93531 12.77453 90.14319       102.6959 234.1143       169.5771 6.761195       129.0523 45.81544 16.69783 29.38468 13.00723 16.43077       21.16614 
1 1 1 -11 17 22 o 34.84229 13.75874 104.8728       120.9220 134.6025       205.1230 89.03818       149.7001 39.98538 17.04982 35.23360 14.77156 4.751778       22.55871 
1 1 1 -11 17 23 o 22.97609 10.43597 -25.88418      89.14572 83.57765       166.5190 -69.85880      105.5440 35.30011 15.21281 22.84033 10.71233 12.45978       18.60601 
1 1 1 -11 17 24 o 84.03430 8.634145 671.2560       122.1402 767.2024       190.1673 603.8837       159.3537 83.91932 13.74610 75.35519 12.84418 8.564133       18.81298 
1 1 1 -11 18 1  o 69.90546 5.405963 425.8802       64.03203 471.6237       112.0014 403.6695       78.04427 72.23211 9.295844 67.63152 6.852141 4.600586       11.54836 
1 1 1 -11 18 2  o 42.03888 8.180243 160.8264       56.61113 15.28973       95.41930 239.8801       70.32523 27.62366 11.69803 51.54832 8.268551 -23.92466      14.32525 
1 1 1 -11 18 3  o 65.46482 6.032811 375.5090       66.68307 301.7472       104.8719 425.5727       86.39828 56.85891 11.19933 69.29636 7.416302 -12.43745      13.43229 
1 1 1 -11 18 4  o 25.26110 9.311917 46.54269       52.95274 101.6293       84.41887 10.80861       67.99199 34.41201 11.85432 23.55525 9.919329 10.85676       15.45698 
1 1 1 -11 18 5  o 39.35677 8.776688 142.3354       57.48409 241.1782       84.07806 55.57736       78.77079 51.11640 9.990229 29.10180 11.21579 22.01460       15.01994 
1 1 1 -11 18 6  o 60.47192 6.159541 321.3021       62.71886 339.3773       92.52037 305.9333       85.31308 61.18509 9.134823 58.12879 8.875976 3.056305       12.73687 
1 1 1 -11 18 7  o 24.12555 9.071906 39.95530       50.74883 95.96237       74.41048 -8.751153      69.39146 33.15826 11.13380 22.16078 9.682434 10.99748       14.75504 
1 1 1 -11 18 8  o 50.64429 7.159841 228.9946       60.19448 232.8962       82.21568 224.4866       88.37316 50.15229 9.951049 48.90704 10.86398 1.245247       14.73260 
1 1 1 -11 18 9  o 18.60549 8.059348 -3.845540      47.21970 -78.70432      65.12460 79.13306       68.56567 17.05996 8.123594 30.69704 10.67721 -13.63708      13.41624 
1 1 1 -11 18 10 o 14.88303 7.276094 -111.9512      61.38199 -44.47440      79.27219 -212.9854      97.00138 21.32073 9.744571 17.50259 8.669044 3.818146       13.04258 
1 1 1 -11 18 11 o 54.67001 11.25822 282.7527       101.6039 282.7527       101.6039 0.000000       0.000000 54.67001 11.25822 ?        ?        0.000000       11.25822 
1 1 1 -11 18 12 o 71.20673 6.356387 447.2254       76.47918 330.5931       112.3071 548.0842       104.4370 58.96114 11.56742 78.22549 7.927648 -19.26435      14.02329 
1 1 1 -11 18 13 o 22.31875 9.400506 10.87656       61.08522 -28.30513      76.32831 80.67617       101.8757 21.74059 9.786121 33.11724 12.75739 -11.37666      16.07853 
1 1 1 -11 18 14 o 73.62231 6.005229 477.5199       74.84126 532.8484       102.0450 413.1165       110.0960 76.97546 7.873980 66.66912 9.977093 10.30634       12.70992 
1 1 1 -11 18 15 o 105.8840 5.330047 980.5229       96.06623 939.3448       112.5720 1090.874       184.2835 103.0786 6.427300 108.5232 10.05836 -5.444565      11.93653 
1 1 1 -11 18 16 o 26.89046 10.29671 52.01183       66.10483 112.7139       78.17780 -100.2677      123.8233 34.63988 11.40547 24.42463 11.50182 10.21525       16.19805 
1 1 1 -11 18 17 f 54.42652 7.640980 270.9132       69.06033 261.3483       76.91304 310.7098       156.8853 52.87721 8.829169 53.20483 15.98165 -0.3276138     18.25835 
1 1 1 -11 18 18 o 50.95872 7.635315 239.0596       64.39665 182.4481       73.53625 425.2841       133.3728 43.26207 10.13195 64.91895 12.48416 -21.65689      16.07827 
1 1 1 -11 18 19 o 19.85925 8.405996 8.931854       49.23359 -2.186328      52.01682 104.5656       152.5571 19.28613 8.405919 36.50864 15.07570 -17.22252      17.26083 
1 1 1 -11 18 20 o 66.84077 10.17899 433.3528       112.5154 498.8130       184.1894 394.3842       142.1128 65.71323 16.45144 60.54013 14.02196 5.173100       21.61632 
1 1 1 -11 18 21 o 29.83787 12.18619 62.54288       98.31049 -200.4271      171.2542 191.8002       120.0648 25.31011 12.32541 41.74173 14.14214 -16.43162      18.75942 
1 1 1 -11 18 22 o 57.28701 10.77955 332.2181       101.5829 462.3851       180.5870 271.9647       122.8647 60.98694 16.80273 48.96116 13.99458 12.02578       21.86732 
1 1 1 -11 19 1  o 53.78916 6.447594 257.2760       58.04329 295.8483       102.4285 239.0310       70.44567 55.76551 11.14579 51.14546 8.354239 4.620045       13.92917 
1 1 1 -11 19 2  o 42.30744 8.032753 164.0256       55.91162 200.2366       95.56667 145.1806       68.94203 45.43676 12.10068 39.17884 10.20355 6.257919       15.82842 
1 1 1 -11 19 3  o 34.09880 9.221625 108.3944       54.98936 126.3932       90.27695 97.77718       69.33652 37.00788 12.25975 32.87691 10.73715 4.130978       16.29687 
1 1 1 -11 19 4  o 43.31681 8.328239 172.4321       59.36679 207.1586       92.06331 147.7129       77.67358 46.37626 11.64230 39.40436 11.08014 6.971905       16.07210 
1 1 1 -11 19 5  o 14.27381 6.885397 -74.67486      50.26678 -48.12680      72.20450 -99.64201      70.02166 19.86777 9.160895 16.91961 8.152764 2.948162       12.26334 
1 1 1 -11 19 6  o 72.13454 5.168945 454.4138       63.24973 430.6766       98.67931 470.9660       82.40232 68.89708 8.572706 72.90422 6.693639 -4.007141      10.87640 
1 1 1 -11 19 7  o 51.03668 7.260033 234.4549       61.48999 247.0369       93.75132 224.9560       81.45862 50.84857 11.10764 48.88952 10.09160 1.959045       15.00733 
1 1 1 -11 19 8  o 62.33176 6.798409 346.1451       71.18986 366.6483       104.4867 328.3811       97.25697 62.69212 10.10330 59.33903 9.950194 3.353088       14.18037 
1 1 1 -11 19 9  o 101.6413 5.021274 898.3565       87.15378 999.8113       126.2692 806.0449       120.4451 106.1158 7.007566 94.97519 7.487092 11.14065       10.25488 
1 1 1 -11 19 10 o 52.15001 7.941389 248.0668       68.48853 190.2321       102.4893 294.7323       92.06239 43.83213 12.85638 55.98186 9.996937 -12.14974      16.28574 
1 1 1 -11 19 11 o 61.18874 7.027907 336.2186       72.10161 381.9252       97.65777 281.4491       106.9023 64.22432 9.164313 53.52473 11.99311 10.69959       15.09368 
1 1 1 -11 19 12 o 25.97278 10.52741 35.93039       72.69670 62.17567       84.07545 -41.82266      144.7112 29.57420 11.53406 29.07455 13.24079 0.4996510      17.55998 
1 1 1 -11 19 13 o 79.31200 6.104625 558.3614       82.04459 555.3826       95.10117 567.0308       162.2392 78.54052 7.169762 75.15048 13.11952 3.390038       14.95083 
1 1 1 -11 19 14 o 78.87482 5.752063 550.9750       76.94135 643.6402       106.4119 449.4532       111.3811 84.27627 7.471524 68.94599 9.730724 15.33028       12.26828 
1 1 1 -11 19 15 o 44.53957 9.059219 189.0166       66.55728 144.6233       79.82913 290.2389       120.5427 38.12210 11.38867 52.68230 13.37509 -14.56020      17.56687 
1 1 1 -11 19 16 o 18.13461 8.332720 -33.88572      59.02914 8.574157       68.00716 -163.6047      118.8686 22.69368 9.750400 21.31009 10.35259 1.383595       14.22134 
1 1 1 -11 19 17 o 86.71169 5.392755 665.6547       79.45728 711.5980       93.93333 550.0928       148.9758 89.15633 6.208465 73.64780 12.27777 15.50854       13.75822 
1 1 1 -11 19 18 o 38.61614 9.977420 148.2089       66.26424 151.1947       73.59735 135.4259       152.2818 38.66898 10.75458 37.78283 15.26377 0.8861465      18.67200 
1 1 1 -11 19 19 o 40.49110 10.11685 164.9200       69.75314 86.36369       88.50140 293.7425       113.3327 31.11631 11.91418 52.25668 12.80129 -21.14037      17.48774 
1 1 1 -11 20 1  o 53.21300 7.260750 257.4081       64.25620 237.6360       103.6390 269.7544       81.89661 48.51793 12.44770 53.51813 9.298575 -5.000206      15.53733 
1 1 1 -11 20 2  o 73.46547 5.327431 475.0535       66.38059 446.3494       114.0101 489.7745       81.64684 68.70525 10.01169 74.05756 6.522645 -5.352310      11.94901 
1 1 1 -11 20 3  o 56.04525 6.485036 281.7025       60.91944 127.7741       101.4937 368.3907       76.16566 36.78584 12.97720 63.89518 7.100636 -27.10935      14.79280 
1 1 1 -11 20 4  o 15.85633 7.490688 -54.80111      53.28387 -36.72276      81.13893 -68.50909      70.65395 21.68661 9.891114 18.30283 8.640071 3.383785       13.13335 
1 1 1 -11 20 5  o 59.32035 5.694630 311.9785       56.97715 304.4576       83.66203 318.4843       77.81142 57.16162 8.857356 58.95886 7.929502 -1.797234      11.88822 
1 1 1 -11 20 6  o 35.22690 9.969316 119.3479       62.67087 -53.92496      104.0979 217.8542       78.48895 23.87663 11.00594 47.63390 9.969184 -23.75727      14.84976 
1 1 1 -11 20 7  o 59.74269 7.303005 324.0777       72.95434 257.0551       105.1652 386.2518       101.2900 50.48543 12.30947 64.02915 9.556308 -13.54372      15.58352 
1 1 1 -11 20 8  o 37.61259 10.15734 137.4578       66.77146 128.9972       91.38561 147.1474       97.79844 36.50183 12.33818 38.53184 12.76004 -2.030010      17.74963 
1 1 1 -11 20 9  o 17.74183 8.236822 -43.40829      59.86188 -90.49450      77.36279 26.85064       94.50092 18.31440 8.757589 27.41355 11.62713 -9.099154      14.55629 
1 1 1 -11 20 10 o 87.67640 5.582589 679.6815       83.14849 555.8909       114.9063 815.7507       120.4703 77.26362 8.869750 94.81367 7.501852 -17.55005      11.61681 
1 1 1 -11 20 11 o 34.70082 9.944764 116.8961       61.96390 137.6122       88.32505 96.81934       86.95147 37.21218 12.11685 32.76868 11.95467 4.443504       17.02152 
1 1 1 -11 20 12 o 74.05295 7.813265 503.4521       97.31295 405.2797       258.6113 519.6457       105.0327 55.01669 20.51985 74.87860 8.356730 -19.86191      22.15625 
1 1 1 -11 20 13 o 16.38212 7.830966 -73.04945      61.74935 -126.3708      73.20579 58.45096       114.9631 16.14092 7.902667 31.13679 12.99074 -14.99587      15.20564 
1 1 1 -11 20 14 o 35.67883 10.15504 126.2333       64.83606 99.56794       80.49131 175.5022       109.4112 32.43478 11.54444 40.62552 13.49844 -8.190739      17.76181 
1 1 1 -11 20 15 o 27.40309 9.720033 67.37646       57.01399 77.57834       65.45068 35.27977       116.0925 29.13413 10.40580 29.31968 12.66867 -0.1855507     16.39439 
1 1 1 -11 20 16 o 39.31274 9.983126 155.0395       67.14432 195.4250       78.20924 41.83354       130.9424 43.88073 10.56403 30.64716 13.34784 13.23356       17.02244 
1 1 1 -11 21 1  f 63.42875 7.916123 372.8367       83.87676 355.6741       152.7290 380.2484       100.3671 56.03725 15.45797 62.92431 9.648311 -6.887058      18.22193 
1 1 1 -11 21 2  o 52.88140 8.647665 264.3040       75.39164 279.5244       105.6063 248.4847       107.6632 52.15958 12.09203 48.62169 12.79377 3.537895       17.60391 
1 1 1 -11 21 3  o 75.90815 6.077838 515.7163       78.12350 550.4899       117.1686 487.8832       104.8256 76.29646 9.177090 72.14507 8.682976 4.151398       12.63381 
1 1 1 -11 21 4  o 30.00996 10.20597 83.81849       62.53316 108.5287       104.7180 70.12319       77.95946 34.40582 13.01059 29.31596 11.19225 5.089861       17.16222 
1 1 1 -11 21 5  o 68.44835 6.228631 420.9146       72.00781 497.3195       113.1284 368.8755       93.36327 72.31028 9.382727 62.39656 9.024335 9.913723       13.01822 
1 1 1 -11 21 6  o 17.35406 8.162817 -54.90905      62.04112 8.183331       86.78928 -120.8419      88.72142 24.94384 10.86527 18.68947 9.047459 6.254364       14.13898 
1 1 1 -11 21 7  o 23.77624 9.799317 27.82508       64.29568 -26.23416      88.21447 89.08770       93.90802 22.92645 10.40105 32.02669 12.27035 -9.100245      16.08550 
1 1 1 -11 21 8  o 77.03760 5.815496 530.3533       75.94144 536.1173       103.6561 523.6750       111.5755 75.89841 8.123755 74.35485 8.968403 1.543556       12.10073 
1 1 1 -11 21 9  o 36.04087 10.51673 130.2278       68.73825 242.7640       88.94549 -36.64869      108.3117 49.06043 10.89991 24.69681 11.32558 24.36362       15.71868 
1 1 1 -11 21 10 f 42.43275 9.899093 178.6509       70.41606 193.9558       95.29500 160.2436       104.5081 42.81022 12.35142 38.89604 13.19410 3.914185       18.07323 
1 1 1 -11 21 11 o 27.61520 10.41896 63.92414       67.05795 24.32582       88.30315 117.8720       103.0683 26.02474 11.14404 34.72031 12.95339 -8.695568      17.08742 
1 1 1 -10 0  1  o 273.3682 9.346906 6416.940       435.1764 6416.940       435.1764 6416.940       435.1764 273.3682 9.346906 273.3682 9.346906 0.000000       0.000000 
1 1 1 -10 0  2  o 379.7187 25.90227 12710.67       1661.642 12710.67       1661.642 12710.67       1661.642 379.7187 25.90227 379.7187 25.90227 -0.000000      0.000000 
1 1 1 -10 0  3  o 499.7676 33.17239 22298.51       2802.425 22298.51       2802.425 22298.51       2802.425 499.7676 33.17239 499.7676 33.17239 0.000000       0.000000 
1 1 1 -10 0  4  o 98.43893 13.51621 877.2240       215.0335 877.2240       215.0335 877.2240       215.0335 98.43893 13.51621 98.43893 13.51621 -0.000000      0.000000 
1 1 1 -10 0  5  o 372.5025 37.97945 12727.29       2358.346 12727.29       2358.346 12727.29       2358.346 372.5025 37.97945 372.5025 37.97945 0.000000       0.000000 
1 1 1 -10 0  6  o 107.2518 21.52299 1103.919       349.5675 1103.919       349.5675 1103.919       349.5675 107.2518 21.52299 107.2518 21.52299 0.000000       0.000000 
1 1 1 -10 0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  10 o 22.23585 12.71415 54.04468       76.12095 54.04468       76.12095 54.04468       76.12095 22.23585 12.71415 22.23585 12.71415 0.000000       0.000000 
1 1 1 -10 0  11 o 59.57576 20.93703 399.4428       193.1992 399.4428       193.1992 399.4428       193.1992 59.57576 20.93703 59.57576 20.93703 -0.000000      0.000000 
1 1 1 -10 0  12 o 395.4429 10.74216 13406.28       724.1894 13406.28       724.1894 13406.28       724.1894 395.4429 10.74216 395.4429 10.74216 -0.000000      0.000000 
1 1 1 -10 0  13 f 99.22758 7.290689 854.9418       122.0058 854.9418       122.0058 854.9418       122.0058 99.22758 7.290689 99.22758 7.290689 -0.000000      0.000000 
1 1 1 -10 0  14 o 70.24862 8.017906 438.0029       92.94497 438.0029       92.94497 438.0029       92.94497 70.24862 8.017906 70.24862 8.017906 0.000000       0.000000 
1 1 1 -10 0  15 o 378.8902 10.58368 12311.19       683.5728 12311.19       683.5728 12311.19       683.5728 378.8902 10.58368 378.8902 10.58368 0.000000       0.000000 
1 1 1 -10 0  16 o 474.7816 10.96073 19323.96       887.5898 19323.96       887.5898 19323.96       887.5898 474.7816 10.96073 474.7816 10.96073 -0.000000      0.000000 
1 1 1 -10 0  17 o 46.86782 11.49885 218.6111       79.70155 218.6111       79.70155 218.6111       79.70155 46.86782 11.49885 46.86782 11.49885 0.000000       0.000000 
1 1 1 -10 0  18 o 227.1447 5.331884 4416.006       206.5591 4416.006       206.5591 4416.006       206.5591 227.1447 5.331884 227.1447 5.331884 -0.000000      0.000000 
1 1 1 -10 0  19 o 120.4154 5.210964 1246.120       106.6959 1246.120       106.6959 1246.120       106.6959 120.4154 5.210964 120.4154 5.210964 -0.000000      0.000000 
1 1 1 -10 0  20 o 198.9481 6.446175 3396.012       218.4790 3396.012       218.4790 3396.012       218.4790 198.9481 6.446175 198.9481 6.446175 0.000000       0.000000 
1 1 1 -10 0  21 o 229.2699 6.089005 4506.383       238.0139 4506.383       238.0139 4506.383       238.0139 229.2699 6.089005 229.2699 6.089005 -0.000000      0.000000 
1 1 1 -10 0  22 o 100.3442 6.756922 873.8220       114.5776 873.8220       114.5776 873.8220       114.5776 100.3442 6.756922 100.3442 6.756922 -0.000000      0.000000 
1 1 1 -10 0  23 o 204.3870 9.161747 3610.090       318.3042 3610.090       318.3042 3610.090       318.3042 204.3870 9.161747 204.3870 9.161747 -0.000000      0.000000 
1 1 1 -10 0  24 o 241.6687 5.542078 5007.665       228.4435 5007.665       228.4435 5007.665       228.4435 241.6687 5.542078 241.6687 5.542078 -0.000000      0.000000 
1 1 1 -10 0  25 o 34.98662 14.28551 147.9140       83.99517 147.9140       83.99517 147.9140       83.99517 34.98662 14.28551 34.98662 14.28551 -0.000000      0.000000 
1 1 1 -10 0  26 o 170.5663 17.87187 2645.526       507.4728 2645.526       507.4728 2645.526       507.4728 170.5663 17.87187 170.5663 17.87187 0.000000       0.000000 
1 1 1 -10 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  28 o 22.15096 14.24746 6.152078       123.5630 6.152078       123.5630 6.152078       123.5630 22.15096 14.24746 22.15096 14.24746 0.000000       0.000000 
1 1 1 -10 0  29 o 73.79580 11.28296 503.9944       132.3154 503.9944       132.3154 503.9944       132.3154 73.79580 11.28296 73.79580 11.28296 0.000000       0.000000 
1 1 1 -10 0  30 o 40.83455 17.07923 208.7899       119.3397 208.7899       119.3397 208.7899       119.3397 40.83455 17.07923 40.83455 17.07923 -0.000000      0.000000 
1 1 1 -10 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  32 o 46.90164 15.11912 248.2956       106.9342 248.2956       106.9342 248.2956       106.9342 46.90164 15.11912 46.90164 15.11912 -0.000000      0.000000 
1 1 1 -10 0  33 o 41.32688 16.26134 213.5905       110.1321 213.5905       110.1321 213.5905       110.1321 41.32688 16.26134 41.32688 16.26134 -0.000000      0.000000 
1 1 1 -10 0  34 f 114.9161 7.191155 1166.962       139.8511 1166.962       139.8511 1166.962       139.8511 114.9161 7.191155 114.9161 7.191155 -0.000000      0.000000 
1 1 1 -10 0  35 o 25.68484 14.71418 88.56828       102.2245 88.56828       102.2245 88.56828       102.2245 25.68484 14.71418 25.68484 14.71418 -0.000000      0.000000 
1 1 1 -10 0  36 o 20.11193 12.91698 21.12868       101.1128 21.12868       101.1128 21.12868       101.1128 20.11193 12.91698 20.11193 12.91698 0.000000       0.000000 
1 1 1 -10 0  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 1  1  o 490.0812 11.97427 20648.85       1002.119 20565.92       1078.271 21174.50       2714.779 488.8218 12.91740 484.4937 33.00959 4.328064       35.44703 
1 1 1 -10 1  2  o 251.8728 7.181926 5431.897       308.9044 5420.721       334.0642 5497.828       811.3444 251.5528 7.776764 250.5911 19.10391 0.9617310      20.62613 
1 1 1 -10 1  3  o 305.0730 9.759936 7990.804       508.4552 7659.135       551.9353 9850.554       1306.962 298.4840 10.82842 333.7860 23.07099 -35.30206      25.48579 
1 1 1 -10 1  4  o 162.5327 11.96463 2287.107       329.7445 2223.627       571.0469 2318.861       403.8838 157.7738 21.77542 163.1069 14.65695 -5.333115      26.24871 
1 1 1 -10 1  5  o 266.8533 15.84663 6194.381       718.8839 5756.931       1244.743 6413.316       880.5909 251.5897 29.53422 270.3961 19.19567 -18.80632      35.22419 
1 1 1 -10 1  6  o 118.7598 19.40334 1261.174       379.9112 1261.174       379.9112 0.000000       0.000000 118.7598 19.40334 ?        ?        0.000000       19.40334 
1 1 1 -10 1  7  o 164.2400 21.68490 2402.725       593.3165 2402.725       593.3165 0.000000       0.000000 164.2400 21.68490 ?        ?        0.000000       21.68490 
1 1 1 -10 1  8  o 118.5745 19.43178 1253.988       379.8310 1253.988       379.8310 0.000000       0.000000 118.5745 19.43178 ?        ?        0.000000       19.43178 
1 1 1 -10 1  9  o 369.1257 37.23031 12471.77       2314.729 0.000000       0.000000 12471.77       2314.729 ?        ?        369.1257 37.23031 0.000000       37.23031 
1 1 1 -10 1  10 o 214.7799 24.65272 4081.969       887.8082 0.000000       0.000000 4081.969       887.8082 ?        ?        214.7799 24.65272 0.000000       24.65272 
1 1 1 -10 1  11 o 164.4711 6.888487 2313.476       193.4708 2335.773       570.8508 2310.582       205.6413 162.8716 21.01480 164.3505 7.327192 -1.478882      22.25555 
1 1 1 -10 1  12 o 272.9550 8.713076 6377.086       406.1294 7578.405       1026.685 6154.234       442.1975 295.2368 20.49095 268.0678 9.659836 27.16901       22.65373 
1 1 1 -10 1  13 o 166.9199 5.156825 2381.038       146.9916 2524.927       212.7678 2249.657       203.3095 171.8164 7.251691 162.1770 7.341193 9.639450       10.31892 
1 1 1 -10 1  14 o 142.1792 5.324812 1727.702       129.2832 1608.497       167.1580 1905.157       203.9506 136.9453 7.172842 148.9930 8.045815 -12.04771      10.77890 
1 1 1 -10 1  15 o 64.71738 6.454160 361.7127       70.37699 292.0062       83.26232 536.1089       131.6983 57.75908 8.712536 78.45749 10.06161 -20.69841      13.30956 
1 1 1 -10 1  16 o 330.4506 5.822108 9336.455       328.5403 8518.271       408.4871 10835.26       552.8721 315.4886 7.582156 355.6350 9.103706 -40.14639      11.84764 
1 1 1 -10 1  17 o 332.2599 5.468564 9438.966       310.2795 9409.164       387.9273 9491.889       516.9480 331.6053 6.850574 332.7865 9.096601 -1.181183      11.38765 
1 1 1 -10 1  18 o 184.2271 3.882004 2900.303       122.1269 3162.284       176.1893 2658.022       169.4357 192.2944 5.365510 176.2831 5.628498 16.01132       7.776161 
1 1 1 -10 1  19 o 181.9645 3.936354 2830.158       122.3158 2891.889       178.1756 2775.136       168.2151 183.8320 5.675775 180.0972 5.469609 3.734848       7.882325 
1 1 1 -10 1  20 f 218.8079 4.121317 4093.821       153.9930 4367.236       217.9052 3821.039       217.6530 225.8524 5.649901 211.2170 6.034395 14.63541       8.266518 
1 1 1 -10 1  21 o 214.3138 4.960001 3932.007       181.5239 3767.010       220.7332 4276.715       319.0473 209.6189 6.166452 222.9684 8.379339 -13.34953      10.40377 
1 1 1 -10 1  22 o 272.5068 4.536932 6357.445       211.1259 6380.036       346.6129 6344.120       266.2085 272.3765 7.452004 272.0057 5.731152 0.3707886      9.400983 
1 1 1 -10 1  23 o 230.7080 4.153131 4556.241       163.6214 4408.000       226.5063 4718.009       236.6159 226.6389 5.852533 234.4615 5.909767 -7.822586      8.317301 
1 1 1 -10 1  24 o 91.26997 6.186148 719.1755       95.84686 685.9951       159.7847 737.8249       119.7917 88.12280 10.84706 92.18152 7.679819 -4.058723      13.29053 
1 1 1 -10 1  25 o 19.50863 8.576668 -14.05820      55.19826 -15.98057      79.60825 -12.27824      76.60273 23.65291 10.35160 23.43375 10.20761 0.2191582      14.53791 
1 1 1 -10 1  26 o 39.61971 13.28205 132.3349       105.8938 166.3737       167.0426 109.4649       136.9220 45.96415 16.59991 39.65825 14.90346 6.305908       22.30853 
1 1 1 -10 1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 1  28 o 192.6443 4.666312 3185.949       153.5083 3249.391       215.2030 3120.228       219.0348 194.0621 6.493900 190.0871 6.747743 3.975021       9.364976 
1 1 1 -10 1  29 o 171.9626 4.561122 2540.498       133.9392 2445.865       183.7478 2647.786       195.6491 168.2302 6.396113 174.9864 6.547443 -6.756165      9.153102 
1 1 1 -10 1  30 o 69.42427 7.573983 425.3909       88.33511 459.9485       121.4377 386.5581       128.7304 71.29842 10.27036 64.55535 12.12259 6.743073       15.88829 
1 1 1 -10 1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 1  32 o 49.81443 9.382099 229.4314       76.88189 75.38284       102.7883 425.0558       115.8314 32.88559 12.77328 67.76254 10.33733 -34.87695      16.43220 
1 1 1 -10 1  33 o 94.41380 5.498492 780.6077       88.26665 689.0864       119.3307 891.1773       131.1623 87.42419 8.084713 99.69742 7.765374 -12.27322      11.20998 
1 1 1 -10 1  34 o 16.24387 7.877255 -103.6718      68.00008 -118.6128      89.15347 -82.88948      105.1467 19.04729 9.183393 22.70655 10.66318 -3.659260      14.07260 
1 1 1 -10 1  35 o 47.29995 9.041141 213.9705       70.36533 251.1915       97.05669 172.7301       102.1627 49.73862 11.63418 40.70300 13.01095 9.035618       17.45391 
1 1 1 -10 1  36 o 44.92775 10.71902 204.5883       81.08956 117.0747       125.6166 267.1097       106.1753 35.39621 14.00873 50.20722 12.44604 -14.81100      18.73895 
1 1 1 -10 1  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 2  1  o 92.66049 4.461546 733.7224       70.59629 714.0662       96.93446 755.9241       103.0196 91.15873 6.265022 93.78570 6.472135 -2.626968      9.007720 
1 1 1 -10 2  2  o 438.1712 8.321110 16447.59       622.6256 17236.46       899.1831 15720.96       862.9832 447.8163 11.75835 427.6625 11.81678 20.15381       16.67019 
1 1 1 -10 2  3  o 98.86688 6.510672 840.0451       109.3054 749.8347       120.3865 1263.503       260.8281 93.26220 7.625811 120.4586 12.87947 -27.19637      14.96776 
1 1 1 -10 2  4  o 237.8055 7.741685 4844.414       314.3832 4791.734       328.7218 5409.058       1076.200 236.4680 8.140559 245.9532 26.01853 -9.485214      27.26230 
1 1 1 -10 2  5  o 130.1224 13.54929 1475.694       296.6563 1408.221       418.6174 1543.763       420.4595 125.5364 20.21370 131.8198 19.24576 -6.283409      27.91044 
1 1 1 -10 2  6  o 149.6183 14.13660 1948.577       356.9068 2229.306       505.2502 1668.974       504.2363 158.9830 18.98589 136.3238 22.44115 22.65913       29.39506 
1 1 1 -10 2  7  o 213.9320 17.08118 3989.663       618.8130 4100.763       874.6519 3878.317       875.6166 214.7188 24.28078 208.4637 25.10157 6.255051       34.92341 
1 1 1 -10 2  8  o 292.3477 19.93831 7464.323       989.4420 8783.084       1399.941 6148.042       1398.624 314.7361 26.28785 260.5082 32.11991 54.22794       41.50590 
1 1 1 -10 2  9  o 221.5760 7.744196 4202.288       293.0225 4656.274       944.0151 4153.883       308.2481 229.5196 24.46255 220.2637 8.195124 9.255920       25.79876 
1 1 1 -10 2  10 o 325.2223 9.933864 9063.361       551.6968 0.000000       0.000000 9063.361       551.6968 ?        ?        325.2223 9.933864 0.000000       9.933864 
1 1 1 -10 2  11 o 313.8714 9.199216 8435.180       493.0653 8928.063       1699.268 8389.866       515.2321 316.6391 31.85902 312.9841 9.640036 3.654938       33.28554 
1 1 1 -10 2  12 o 269.2645 7.751927 6202.554       356.4435 5370.790       1103.494 6299.449       376.6331 246.6697 26.61891 271.3334 8.128554 -24.66373      27.83235 
1 1 1 -10 2  13 o 400.2806 7.263110 13704.43       496.4655 13177.74       690.3831 14268.48       714.4517 392.1658 10.30905 408.0811 10.25237 -15.91531      14.53918 
1 1 1 -10 2  14 o 64.72079 7.887854 363.7243       85.37422 445.9606       107.5683 223.7489       140.3390 71.61074 8.994851 50.68223 15.09092 20.92851       17.56825 
1 1 1 -10 2  15 o 268.8897 5.042847 6179.279       231.5538 5659.090       285.0146 7189.233       397.1342 257.2419 6.488187 289.8191 8.024323 -32.57715      10.31922 
1 1 1 -10 2  16 o 218.8886 4.948920 4095.082       184.9846 3918.288       228.6463 4430.064       314.7333 214.0461 6.255399 227.4698 8.102461 -13.42378      10.23621 
1 1 1 -10 2  17 f 228.3898 4.644069 4458.342       181.1245 4244.783       224.3806 4857.760       306.8604 222.7823 5.897973 238.1998 7.543927 -15.41757      9.575850 
1 1 1 -10 2  18 o 99.68067 4.770512 849.5222       81.20409 867.5595       104.0115 821.3660       129.9519 100.5079 6.088819 97.59006 7.864608 2.917793       9.946144 
1 1 1 -10 2  19 o 195.9748 4.439258 3283.925       148.5636 3458.144       194.5195 3040.043       230.1472 201.0157 5.666711 188.3425 7.155753 12.67322       9.127782 
1 1 1 -10 2  20 o 192.1204 6.152909 3162.253       201.8627 3315.706       224.9148 2526.668       457.7387 196.6650 6.697135 169.3773 16.01566 27.28766       17.35952 
1 1 1 -10 2  21 o 271.2482 4.471034 6296.140       207.0984 6635.899       292.4791 5954.506       293.2853 278.1931 6.156680 263.4562 6.518984 14.73691       8.966709 
1 1 1 -10 2  22 o 162.6835 3.655963 2263.756       101.5658 2209.763       139.0535 2325.502       148.7030 160.6004 5.070297 164.7282 5.286276 -4.127762      7.324795 
1 1 1 -10 2  23 o 33.60355 10.76581 96.04630       69.91678 143.9005       102.7917 54.84558       95.37846 40.87019 13.04952 31.53097 12.28834 9.339220       17.92465 
1 1 1 -10 2  24 o 121.5719 4.288104 1266.014       89.02261 1186.742       122.5739 1354.507       129.5059 117.3490 6.138024 125.5501 6.040464 -8.201164      8.611768 
1 1 1 -10 2  25 f 197.3166 4.040787 3335.033       136.1543 3333.212       188.6393 3337.014       196.7173 196.9691 5.608311 197.0285 5.846712 -0.5938721E-01 8.101679 
1 1 1 -10 2  26 o 179.2850 12.18486 2844.707       370.8353 2681.542       517.2100 3017.326       531.9827 170.5466 18.03263 181.4566 17.38077 -10.90994      25.04530 
1 1 1 -10 2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 2  28 o 63.09183 12.02109 362.7824       124.7857 368.2547       144.5057 346.7364       247.4486 63.05556 13.80313 61.14462 20.29918 1.910946       24.54757 
1 1 1 -10 2  29 o 110.6084 5.358307 1053.851       101.2086 1161.299       141.2729 940.5586       145.0636 115.4903 7.199100 103.5588 8.271969 11.93143       10.96597 
1 1 1 -10 2  30 o 213.5113 4.526680 3924.876       165.0451 3841.779       228.7840 4015.050       238.3262 210.3876 6.368007 215.0116 6.490947 -4.623993      9.093069 
1 1 1 -10 2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 2  32 o 28.70751 10.99683 57.24337       75.41846 96.32606       100.4316 6.704050       114.2070 34.53583 12.80593 28.98268 12.54415 5.553148       17.92617 
1 1 1 -10 2  33 o 56.08070 8.531108 288.5484       79.12406 363.1621       106.5186 196.6954       118.1852 62.07696 10.41736 44.39251 13.97284 17.68445       17.42876 
1 1 1 -10 2  34 o 91.32084 5.645102 736.1022       87.60094 682.5118       117.5841 802.9490       131.3245 86.47901 8.054908 93.66887 8.295921 -7.189857      11.56304 
1 1 1 -10 2  35 o 54.52213 9.145371 283.6352       82.13312 245.7748       131.8645 307.6336       104.9848 47.06768 14.75034 55.23232 11.50450 -8.164635      18.70631 
1 1 1 -10 2  36 o 66.75259 8.198362 419.1241       91.48943 608.4551       136.4888 264.6471       123.2872 78.47946 10.44380 48.51597 14.06369 29.96349       17.51743 
1 1 1 -10 3  1  o 246.0648 5.588891 5175.583       234.8427 5150.507       339.1915 5198.670       325.4689 245.3166 8.096850 246.4864 7.732404 -1.169876      11.19594 
1 1 1 -10 3  2  o 119.2664 4.628214 1215.564       94.26131 1104.204       135.4969 1320.001       131.2173 113.3921 7.032218 124.2428 6.184689 -10.85072      9.364960 
1 1 1 -10 3  3  o 57.46682 5.504517 284.9229       53.35707 202.6697       73.03275 379.0891       78.14278 47.82318 9.277600 66.19269 7.020321 -18.36950      11.63438 
1 1 1 -10 3  4  o 261.3915 8.542081 5852.974       381.2914 5745.155       398.2642 7037.678       1320.165 258.9254 9.007302 280.9979 27.88010 -22.07248      29.29901 
1 1 1 -10 3  5  o 483.1099 12.98733 20080.75       1071.439 19932.17       1116.402 21814.60       3813.778 481.1463 13.58756 480.2116 47.11401 0.9346924      49.03419 
1 1 1 -10 3  6  o 384.3625 11.27026 12685.13       739.7359 12536.25       771.3201 14392.22       2611.780 381.9923 11.82437 395.7816 39.15742 -13.78922      40.90378 
1 1 1 -10 3  7  o 379.6884 20.25887 12554.77       1308.797 13416.81       2267.075 12123.85       1602.882 385.3853 34.82460 371.0060 25.45383 14.37936       43.13526 
1 1 1 -10 3  8  o 390.8360 11.02919 13104.01       736.1057 16653.20       2680.569 12814.54       765.5358 429.0949 36.94249 386.3985 11.60187 42.69641       38.72145 
1 1 1 -10 3  9  o 93.57017 9.077232 756.7426       143.2171 1075.381       334.6067 685.2762       158.4661 110.1260 18.44502 88.77808 10.66620 21.34795       21.30696 
1 1 1 -10 3  10 o 251.6608 7.782018 5418.412       334.4335 5665.213       789.4210 5364.429       369.2017 255.5630 18.20780 250.3461 8.636165 5.216904       20.15211 
1 1 1 -10 3  11 o 331.2627 8.414696 9390.780       476.0065 9096.456       1182.895 9447.650       519.9641 323.3162 21.54823 332.1940 9.165995 -8.877808      23.41669 
1 1 1 -10 3  12 o 191.7678 5.217396 3142.745       170.8565 3036.267       249.2064 3237.188       234.7007 188.3906 7.746367 194.5560 7.064278 -6.165436      10.48381 
1 1 1 -10 3  13 o 440.4203 8.113107 16599.14       610.1779 15442.73       847.3099 17844.88       879.4298 424.2876 11.69446 456.1671 11.28952 -31.87955      16.25465 
1 1 1 -10 3  14 o 54.30836 9.059014 259.3438       81.05406 141.3816       100.0157 485.0645       138.3510 40.84175 12.85377 74.37769 11.24364 -33.53593      17.07744 
1 1 1 -10 3  15 o 490.8215 6.072309 20599.35       508.9550 20875.36       626.7474 20064.89       872.1293 493.9196 7.430779 483.6988 10.55854 10.22086       12.91121 
1 1 1 -10 3  16 o 490.9486 7.397771 20629.66       620.2101 20610.78       763.1436 20666.39       1064.417 490.4184 9.112500 490.2325 12.71474 0.1858521      15.64296 
1 1 1 -10 3  17 o 192.4659 4.108483 3165.633       135.0322 3206.168       170.6452 3097.737       220.8491 193.6452 5.160422 190.2459 6.797956 3.399338       8.534762 
1 1 1 -10 3  18 o 112.0363 5.554853 1073.863       106.2756 1086.486       111.4750 947.9437       352.0894 112.5323 5.820858 102.2032 20.87927 10.32906       21.67548 
1 1 1 -10 3  19 o 311.2258 6.402881 8296.912       340.2930 8191.864       470.8037 8411.826       492.4174 308.7826 8.928638 312.8369 9.217509 -4.054291      12.83289 
1 1 1 -10 3  20 f 141.5045 4.236293 1712.661       102.3665 1643.508       131.2296 1820.139       163.6010 138.5318 5.547284 145.6977 6.575536 -7.165939      8.602909 
1 1 1 -10 3  21 o 148.3453 5.078175 1884.737       128.6422 1698.685       196.6323 2023.958       170.0946 140.2456 8.246682 153.5784 6.485723 -13.33284      10.49154 
1 1 1 -10 3  22 o 109.9376 4.502000 1034.863       84.51885 1037.406       108.3295 1030.908       135.1160 109.8204 5.796999 109.2425 7.284685 0.5778656      9.309771 
1 1 1 -10 3  23 o 134.2625 3.965871 1543.045       90.92753 1545.747       125.9290 1540.102       131.4292 134.2245 5.494040 133.9489 5.745805 0.2756653      7.949764 
1 1 1 -10 3  24 o 146.6892 4.067863 1842.803       101.8982 1790.892       139.3211 1902.512       149.4198 144.4064 5.649743 148.8026 5.880247 -4.396271      8.154563 
1 1 1 -10 3  25 o 86.34593 5.022320 641.9719       73.73404 560.7675       103.4490 725.8246       105.1225 80.21636 7.644486 91.53117 6.773599 -11.31480      10.21371 
1 1 1 -10 3  26 o 170.0902 13.36837 2581.316       385.1644 2267.024       533.1459 2924.422       557.0494 154.8350 20.68081 177.6380 18.64143 -22.80301      27.84240 
1 1 1 -10 3  27 o 91.33997 8.028897 728.2545       123.9613 1019.640       208.9374 569.9724       153.9919 107.0552 11.61530 79.70390 11.65874 27.35126       16.45726 
1 1 1 -10 3  28 o 175.8636 5.061152 2658.186       151.9943 2736.956       192.1351 2526.449       248.4736 178.1244 6.316568 170.2045 8.576395 7.919968       10.65146 
1 1 1 -10 3  29 o 54.26203 9.390818 265.3465       83.86617 108.3348       115.8686 438.1171       121.5443 37.59952 13.78746 69.68844 10.54288 -32.08892      17.35645 
1 1 1 -10 3  30 o 19.44291 9.133038 -75.61012      77.22433 -228.1547      110.7117 68.93834       107.7710 19.14331 9.440772 33.25212 13.03361 -14.10881      16.09357 
1 1 1 -10 3  31 o 63.98795 8.761359 369.5823       93.22064 526.6497       126.0083 179.6924       138.5502 76.03642 9.942691 44.10054 15.18690 31.93589       18.15211 
1 1 1 -10 3  32 o 133.1648 4.715712 1536.102       107.2355 1355.186       145.4169 1751.765       158.7689 123.8948 6.900604 141.2492 6.582300 -17.35439      9.536509 
1 1 1 -10 3  33 o 21.77139 9.624856 -12.44597      70.44138 85.84878       89.06403 -176.6445      115.1123 32.38876 12.04960 20.81515 10.12958 11.57360       15.74170 
1 1 1 -10 3  34 o 93.61542 5.875876 776.5336       93.45747 592.6765       140.3790 922.8942       125.2489 78.46989 10.75933 101.1110 7.303067 -22.64111      13.00377 
1 1 1 -10 3  35 o 39.62851 11.84714 161.2285       86.36299 239.2448       125.0038 89.98299       119.4564 46.60329 14.32185 33.53034 13.52836 13.07295       19.70107 
1 1 1 -10 3  36 o 48.06751 10.36514 232.6133       82.57759 18.55578       128.6730 382.5126       107.6768 29.15371 12.94244 61.81088 10.58181 -32.65717      16.71770 
1 1 1 -10 4  1  o 498.7260 9.491750 21296.04       808.3701 20020.47       1166.788 22473.45       1121.001 482.7432 14.15383 511.7428 12.82781 -28.99963      19.10193 
1 1 1 -10 4  2  o 179.1440 6.180204 2743.554       189.0632 2764.697       198.0443 2526.174       635.0201 179.8231 6.449337 169.2067 22.53746 10.61633       23.44208 
1 1 1 -10 4  3  o 290.8623 6.524554 7234.025       324.0710 6725.547       457.3192 7746.915       459.2984 280.2199 9.556931 300.8043 8.941471 -20.58441      13.08758 
1 1 1 -10 4  4  o 530.7203 9.782887 24131.03       886.6141 24379.86       1253.292 23881.74       1254.433 532.5633 13.78094 527.0543 13.93767 5.509033       19.60033 
1 1 1 -10 4  5  o 210.7338 6.258435 3797.080       225.2173 3864.624       245.9766 3446.833       560.1309 212.5741 6.776126 199.2661 16.61233 13.30800       17.94116 
1 1 1 -10 4  6  o 196.2658 6.501925 3293.896       217.9157 3282.294       238.0761 3353.824       541.0977 195.8909 7.117044 196.6201 16.26153 -0.7292480     17.75076 
1 1 1 -10 4  7  o 173.0561 5.026845 2559.292       148.5539 2593.557       199.8260 2516.958       222.1106 174.1517 6.719272 171.5246 7.582997 2.627075       10.13166 
1 1 1 -10 4  8  o 355.6377 7.082171 10816.93       430.1066 10896.54       629.5982 10747.27       588.9586 356.6115 10.33871 354.2308 9.736358 2.380768       14.20160 
1 1 1 -10 4  9  o 135.4403 8.152692 1575.233       187.6820 1543.185       414.0736 1583.519       210.5523 132.4150 18.84373 135.6992 9.139390 -3.284134      20.94313 
1 1 1 -10 4  10 o 274.6399 7.609971 6452.020       356.9016 5803.832       855.2300 6588.708       392.7342 258.4525 19.52161 277.4865 8.288099 -19.03397      21.20816 
1 1 1 -10 4  11 o 241.9479 5.977162 5004.025       246.9555 4945.647       340.2513 5069.013       358.9980 240.4038 8.288130 243.3603 8.638539 -2.956467      11.97153 
1 1 1 -10 4  12 o 618.7537 10.75844 32818.17       1136.761 30585.10       1576.833 35234.58       1640.290 596.0785 15.49103 639.9420 15.00991 -43.86346      21.57010 
1 1 1 -10 4  13 o 333.9659 5.917748 9535.053       337.4896 8880.764       470.0060 10231.49       484.9076 322.0840 8.545399 345.7457 8.212970 -23.66171      11.85229 
1 1 1 -10 4  14 o 290.5364 5.720407 7216.432       283.8111 4289.872       649.2904 7907.666       315.5532 222.2281 17.24458 304.1083 6.076344 -81.88019      18.28380 
1 1 1 -10 4  15 o 397.3434 5.757009 13499.44       390.6292 12838.02       481.0797 14779.48       669.2535 387.3244 7.273447 415.2621 9.437707 -27.93762      11.91526 
1 1 1 -10 4  16 o 86.31261 6.514189 641.0133       95.30706 743.7964       104.9052 155.1703       228.0783 92.99809 6.649598 50.29131 19.15711 42.70678       20.27837 
1 1 1 -10 4  17 o 188.4919 4.903931 3037.895       157.8479 3127.633       223.5215 2948.622       222.9410 191.1270 6.848498 185.5626 7.035541 5.564331       9.818389 
1 1 1 -10 4  18 o 121.9830 4.518629 1272.347       94.12560 1173.439       120.6612 1426.095       150.4378 116.9215 6.064083 128.8389 6.862401 -11.91740      9.157820 
1 1 1 -10 4  19 o 240.6151 4.709483 4952.918       193.5076 4772.972       238.7057 5297.838       330.4847 236.0706 5.921326 248.4341 7.790015 -12.36340      9.785011 
1 1 1 -10 4  20 o 129.6696 4.804029 1439.219       106.3765 1454.401       157.1219 1426.371       144.5424 129.9696 7.106266 128.7819 6.594742 1.187653       9.694825 
1 1 1 -10 4  21 o 29.70003 9.959413 71.71460       59.54000 81.60983       72.83497 51.78263       103.3718 32.06511 11.01300 32.21807 12.72158 -0.1529617     16.82631 
1 1 1 -10 4  22 o 200.7732 4.197382 3450.662       143.9084 3368.812       183.3437 3582.010       232.2568 198.2080 5.416800 204.1600 6.661865 -5.951950      8.586161 
1 1 1 -10 4  23 o 139.1369 4.094521 1657.640       97.28529 1670.532       122.9080 1636.013       159.1889 139.5608 5.157208 137.8890 6.760538 1.671799       8.503039 
1 1 1 -10 4  24 o 211.5094 4.431132 3833.944       160.0466 3888.928       201.3818 3739.671       263.6910 212.7981 5.541796 208.1981 7.416803 4.600006       9.258535 
1 1 1 -10 4  25 o 113.5692 4.319379 1105.591       83.76911 1154.145       105.4918 1022.717       137.8211 115.9180 5.329248 108.5582 7.480138 7.359749       9.184408 
1 1 1 -10 4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 4  27 o 73.25694 7.420269 468.8591       91.54556 563.0869       116.5908 317.3705       147.8308 80.04263 8.668342 58.34394 14.81147 21.69868       17.16158 
1 1 1 -10 4  28 o 107.2329 5.782045 993.6382       105.4881 883.5996       140.4648 1135.976       159.7553 100.4695 8.260281 113.9969 8.262630 -13.52745      11.68346 
1 1 1 -10 4  29 o 110.0301 6.976114 1055.597       130.3991 1296.238       215.0481 915.6648       163.9867 120.4369 10.56290 101.5086 9.573344 18.92832       14.25566 
1 1 1 -10 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 4  31 o 106.3134 7.523840 1000.050       135.7111 924.3426       160.5132 1189.834       254.1387 101.2097 9.394374 111.8556 13.58363 -10.64587      16.51573 
1 1 1 -10 4  32 o 77.62471 6.442095 532.4526       84.62269 559.5478       109.7467 492.7197       132.8984 78.74391 8.285873 72.33324 11.11484 6.410667       13.86346 
1 1 1 -10 4  33 o 118.1419 5.278123 1219.372       106.4843 1118.765       149.4855 1323.012       151.7224 111.3659 7.911891 121.5889 7.341681 -10.22304      10.79344 
1 1 1 -10 4  34 o 42.31243 11.10530 178.7677       81.25491 63.13837       119.4928 278.2218       110.8202 32.02602 13.29299 52.02259 12.60662 -19.99657      18.32022 
1 1 1 -10 4  35 o 50.42526 10.13955 250.2117       84.28433 162.6049       114.2932 354.6483       124.7893 39.33652 13.77942 58.05962 12.91940 -18.72310      18.88871 
1 1 1 -10 4  36 o 37.95384 11.46730 151.4191       80.59915 80.96185       122.2869 205.5352       107.1717 32.22532 13.41755 42.91829 13.27294 -10.69297      18.87331 
1 1 1 -10 5  1  o 136.6860 4.165986 1596.031       97.23972 1535.596       134.0227 1663.208       141.3012 134.0398 5.855212 139.4964 5.931727 -5.456512      8.334800 
1 1 1 -10 5  2  o 163.4222 4.936443 2281.958       137.7612 2222.729       193.2660 2343.136       196.4199 161.2279 7.019618 165.5397 6.948347 -4.311798      9.876970 
1 1 1 -10 5  3  o 270.0603 6.241683 6234.500       287.8488 6526.028       406.7859 5942.129       407.3741 276.1554 8.626020 263.4819 9.054005 12.67349       12.50533 
1 1 1 -10 5  4  o 192.7768 4.596486 3175.119       151.3152 2986.324       217.9461 3350.808       210.2457 186.8853 6.829237 197.9857 6.218580 -11.10046      9.236299 
1 1 1 -10 5  5  o 236.9799 4.521158 4798.074       182.9629 5399.982       310.0444 4476.471       226.6309 251.2829 7.225352 228.8538 5.799078 22.42909       9.264719 
1 1 1 -10 5  6  o 233.6329 5.282914 4664.595       210.7703 4536.004       291.5188 4805.440       305.0929 230.2940 7.412793 237.0282 7.537548 -6.734192      10.57186 
1 1 1 -10 5  7  o 370.2468 7.367592 11724.25       465.8208 12006.70       680.7953 11475.62       638.7529 374.3374 10.65004 366.0157 10.21954 8.321655       14.76016 
1 1 1 -10 5  8  o 76.19112 4.182937 497.4223       54.21538 586.9878       60.55505 135.6047       121.7096 82.77877 4.298596 41.56240 14.23791 41.21637       14.87266 
1 1 1 -10 5  9  o 168.5387 5.068285 2427.321       145.8689 2189.769       190.9567 2760.149       226.0297 160.0203 6.988079 179.6406 7.368160 -19.62030      10.15495 
1 1 1 -10 5  10 o 127.9500 4.123043 1398.607       90.08656 1347.817       106.6864 1524.797       168.1646 125.5892 4.974560 133.3084 7.416459 -7.719170      8.930292 
1 1 1 -10 5  11 o 283.6789 7.857650 6885.701       380.6463 5981.020       1242.240 6979.446       399.8820 259.6442 28.48506 285.5765 8.199880 -25.93231      29.64180 
1 1 1 -10 5  12 o 481.1502 9.025262 19824.95       741.5533 19558.47       1053.416 20086.73       1044.075 477.1682 12.92786 483.6329 12.64195 -6.464691      18.08172 
1 1 1 -10 5  13 f 423.0257 4.761926 15292.81       343.9943 17387.55       508.3142 13522.92       467.2400 450.8857 6.601824 397.6039 6.881568 53.28171       9.536250 
1 1 1 -10 5  14 o 215.7936 5.798629 3981.685       213.6810 3978.644       315.0683 3984.274       290.7729 215.5306 8.560394 215.7331 7.892876 -0.2024384     11.64379 
1 1 1 -10 5  15 o 475.8593 11.30996 19452.50       919.0552 19723.55       955.9585 16143.72       3339.997 479.0649 11.68538 410.4011 48.60212 68.66385       49.98714 
1 1 1 -10 5  16 o 162.3556 5.139327 2254.031       142.4871 2176.230       201.7542 2331.452       201.2611 159.3997 7.411959 165.0049 7.142680 -5.605148      10.29344 
1 1 1 -10 5  17 o 102.2083 5.169257 895.8671       89.92960 920.4106       120.9253 865.4963       134.5170 103.4309 6.885797 100.1557 7.929846 3.275108       10.50222 
1 1 1 -10 5  18 o 376.6821 7.569839 12172.13       486.9267 11916.03       677.9794 12444.96       699.7744 371.8353 10.67736 379.9625 10.78488 -8.127197      15.17629 
1 1 1 -10 5  19 o 284.7282 4.854723 6938.464       236.0462 6936.220       290.7419 6942.804       404.3059 284.5071 5.984288 284.1630 8.331835 0.3441467      10.25822 
1 1 1 -10 5  20 o 341.0594 5.834240 9972.868       339.7944 9781.771       417.2625 10349.08       585.4636 337.4012 7.242038 346.0966 9.906053 -8.695374      12.27098 
1 1 1 -10 5  21 o 126.1594 4.086651 1362.129       88.04184 1387.521       111.0979 1319.261       144.3521 127.2466 5.112789 123.7116 6.859859 3.534973       8.555599 
1 1 1 -10 5  22 o 108.2573 4.095568 1003.345       75.71347 1023.488       94.82310 967.9117       125.7628 109.2596 5.082209 105.8311 6.998353 3.428589       8.649034 
1 1 1 -10 5  23 o 150.6855 4.310410 1945.217       110.9154 1953.556       133.8170 1926.915       198.2551 150.8943 5.193218 149.2100 7.807943 1.684250       9.377286 
1 1 1 -10 5  24 o 209.1558 4.278840 3748.873       152.8262 3637.937       186.9927 3972.036       265.2155 205.8329 5.319954 214.5630 7.238392 -8.730118      8.983108 
1 1 1 -10 5  25 o 149.3385 10.94217 1963.464       277.1042 1916.985       383.0366 2014.501       401.3754 145.2860 15.68782 148.7647 16.05416 -3.478729      22.44646 
1 1 1 -10 5  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 5  27 o 159.6163 4.689753 2187.377       127.8289 2221.928       158.0861 2122.117       217.2650 160.6466 5.762623 156.1401 8.176855 4.506500       10.00344 
1 1 1 -10 5  28 o 29.96242 11.65862 52.94369       85.74915 90.64657       101.1437 -43.41127      161.6920 34.94527 12.87141 32.41482 14.44237 2.530449       19.34568 
1 1 1 -10 5  29 o 90.18734 5.979985 707.3569       91.57501 687.2375       113.3001 745.2636       155.5184 88.40452 7.578318 91.06806 10.17420 -2.663544      12.68642 
1 1 1 -10 5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 5  31 o 55.38592 13.51357 301.0152       126.6798 635.7571       205.6457 96.31355       160.8146 79.63236 15.68072 38.63667 15.65861 40.99569       22.16026 
1 1 1 -10 5  32 o 92.80319 10.02863 796.6166       156.4032 796.6166       156.4032 0.000000       0.000000 92.80319 10.02863 ?        ?        0.000000       10.02863 
1 1 1 -10 5  33 o 104.5848 5.520113 962.1461       98.23756 854.3781       131.4862 1098.311       147.7978 96.97704 8.011533 110.0975 7.913990 -13.12049      11.26126 
1 1 1 -10 5  34 o 34.46338 11.51504 115.8884       79.58966 229.4958       116.9518 17.88677       108.6227 46.26292 13.77649 27.99207 12.17443 18.27084       18.38500 
1 1 1 -10 5  35 o 29.71401 11.51420 72.80979       83.37049 116.4185       112.2223 19.09774       124.5456 34.99696 13.41235 29.12773 12.84148 5.869230       18.56866 
1 1 1 -10 5  36 o 34.67585 11.61272 125.1154       80.94759 395.5088       116.6741 -125.8299      112.3999 61.66025 11.50385 21.21533 10.24919 40.44492       15.40728 
1 1 1 -10 6  1  o 256.9926 5.274042 5644.039       231.4547 5661.327       326.6547 5626.608       328.0022 257.2756 7.435127 256.4823 7.488890 0.7933044      10.55294 
1 1 1 -10 6  2  f 678.4014 10.64178 39433.45       1232.829 35178.27       1778.850 43366.29       1710.146 639.2550 16.29534 710.4919 14.09523 -71.23694      21.54561 
1 1 1 -10 6  3  f 447.9015 8.367818 17166.22       640.0245 17394.29       924.0511 16955.91       887.3281 450.3517 12.01551 444.6940 11.68479 5.657623       16.76028 
1 1 1 -10 6  4  o 230.2477 4.507236 4529.348       177.2179 4225.323       295.7923 4699.588       221.3419 222.2471 7.793794 234.4977 5.527428 -12.25067      9.554877 
1 1 1 -10 6  5  o 218.1293 4.423262 4065.042       164.7626 3781.595       274.2231 4225.175       206.1145 210.2599 7.637402 222.3498 5.428377 -12.08990      9.370015 
1 1 1 -10 6  6  o 349.1673 5.657135 10420.27       337.3122 9666.970       566.8208 10833.31       419.7224 335.9612 9.879949 355.9320 6.905468 -19.97079      12.05400 
1 1 1 -10 6  7  f 350.4488 6.025311 10498.56       360.5836 9587.167       598.0725 11019.05       451.9670 334.4969 10.47032 358.9264 7.373937 -24.42953      12.80635 
1 1 1 -10 6  8  f 182.2603 5.178684 2838.844       161.1808 2840.757       214.6887 2836.374       244.0028 182.2590 6.897921 182.0762 7.847651 0.1828003      10.44830 
1 1 1 -10 6  9  o 288.1328 5.064259 7094.772       249.1785 7240.031       310.7650 6833.235       416.9921 291.0006 6.253690 282.5354 8.642771 8.465179       10.66800 
1 1 1 -10 6  10 o 396.3911 7.034698 13439.49       476.1801 13232.53       591.2105 13821.70       803.4250 393.1314 8.806482 401.3625 11.72213 -8.231110      14.66160 
1 1 1 -10 6  11 o 153.0600 4.286840 2001.677       112.0472 2327.311       148.0563 1565.188       171.4148 165.0125 5.254218 135.0476 7.461866 29.96490       9.126130 
1 1 1 -10 6  12 o 461.6528 7.206573 18234.95       568.1280 17473.62       701.1219 19690.69       969.5056 451.6361 9.090817 478.8799 11.85555 -27.24384      14.93978 
1 1 1 -10 6  13 o 110.9436 9.293248 1062.209       174.4425 1002.126       197.6558 1273.881       370.9924 107.5129 10.91726 119.8679 18.73768 -12.35502      21.68610 
1 1 1 -10 6  14 o 305.9634 7.810293 8016.984       408.0738 7060.343       1376.341 8109.186       427.2866 280.4371 29.16685 307.6791 8.132412 -27.24200      30.27939 
1 1 1 -10 6  15 o 309.7545 5.990206 8209.339       316.8555 8114.493       458.9061 8295.749       438.0255 307.6008 8.736439 311.0921 8.245339 -3.491272      12.01295 
1 1 1 -10 6  16 o 161.4033 5.014805 2228.150       138.2192 2147.517       209.9423 2289.839       183.6320 158.2656 7.768040 163.5212 6.576160 -5.255585      10.17784 
1 1 1 -10 6  17 f 40.43693 10.85063 145.7629       76.48595 112.9503       110.8013 175.6310       105.7130 38.48883 13.56122 44.63324 13.04722 -6.144413      18.81852 
1 1 1 -10 6  18 o 144.6458 3.934221 1789.134       97.17766 1808.311       123.7743 1758.316       156.9043 145.3521 4.986630 143.2145 6.415729 2.137604       8.125764 
1 1 1 -10 6  19 o 232.2677 4.360089 4616.521       172.9363 4405.042       212.3236 5033.323       298.0776 226.7390 5.483656 242.0604 7.211135 -15.32146      9.059301 
1 1 1 -10 6  20 f 217.7043 4.345111 4057.026       161.5362 4007.963       200.4478 4147.918       272.8268 216.2304 5.428534 219.6285 7.274388 -3.398132      9.076657 
1 1 1 -10 6  21 f 221.5291 4.785212 4204.838       181.0231 3936.335       222.5635 4729.657       311.1602 214.1091 6.087191 234.2786 7.777670 -20.16951      9.876540 
1 1 1 -10 6  22 o 156.4447 3.870153 2095.157       103.3930 2063.985       127.9156 2153.904       175.6042 155.1652 4.827557 158.2516 6.498075 -3.086395      8.095078 
1 1 1 -10 6  23 o 205.4264 4.360435 3616.364       152.9636 3604.617       186.2622 3640.694       268.0743 204.9093 5.323058 205.3407 7.645014 -0.4313965     9.315641 
1 1 1 -10 6  24 o 153.2740 16.01214 2133.290       412.9152 2133.290       412.9152 0.000000       0.000000 153.2740 16.01214 ?        ?        0.000000       16.01214 
1 1 1 -10 6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 6  26 o 92.79256 4.966939 741.6396       78.41985 761.4642       97.46825 705.2513       132.0510 93.81933 6.117183 89.66058 8.735537 4.158745       10.66440 
1 1 1 -10 6  27 o 107.1404 5.312737 987.6652       97.20166 928.1266       122.8113 1087.503       159.0327 103.3437 7.000378 111.4867 8.415373 -8.143036      10.94641 
1 1 1 -10 6  28 o 63.07406 7.137036 349.8717       75.51972 355.5210       93.98365 339.5772       126.8707 63.07007 8.979822 60.38197 12.70643 2.688099       15.55926 
1 1 1 -10 6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 6  30 o 70.45187 7.511854 441.2438       88.97995 508.5309       104.1204 259.0240       171.3435 75.40416 8.219215 51.15888 16.88713 24.24528       18.78113 
1 1 1 -10 6  31 o 92.77099 6.181312 756.5541       97.36464 831.4775       125.1652 641.7446       154.9401 96.55408 7.653925 82.71941 11.26138 13.83467       13.61621 
1 1 1 -10 6  32 o 16.26512 8.051914 -178.6547      83.28069 -192.4675      102.5687 -151.9295      142.6706 18.67291 9.185072 24.86413 11.89046 -6.191212      15.02493 
1 1 1 -10 6  33 o 69.96476 17.57586 562.7524       209.7168 562.7524       209.7168 0.000000       0.000000 69.96476 17.57586 ?        ?        0.000000       17.57586 
1 1 1 -10 6  34 o 54.51252 9.703103 287.6014       87.01442 385.0239       115.4045 159.2433       132.4661 62.03494 11.31068 39.32858 14.68255 22.70637       18.53399 
1 1 1 -10 6  35 o 23.23695 10.33870 -5.446101      82.55014 14.73677       99.88960 -48.92352      146.6090 26.43517 11.58168 27.62158 12.84578 -1.186409      17.29594 
1 1 1 -10 7  1  o 131.5878 4.565551 1479.500       102.5914 1469.549       146.9936 1488.950       143.2510 130.9281 6.595683 131.9630 6.356873 -1.034836      9.160397 
1 1 1 -10 7  2  o 277.8883 5.012469 6599.064       237.8614 6790.391       390.6469 6486.336       299.8553 281.6932 8.120936 275.4322 6.375219 6.261017       10.32439 
1 1 1 -10 7  3  o 239.9008 4.480531 4917.329       183.5537 4339.666       302.2635 5254.803       231.0303 225.2114 7.859475 247.9559 5.456231 -22.74449      9.567748 
1 1 1 -10 7  4  o 436.3358 6.883607 16282.03       512.9072 16080.90       889.3944 16382.25       627.8233 432.9218 12.03048 437.5051 8.403348 -4.583374      14.67477 
1 1 1 -10 7  5  o 137.2491 4.163098 1609.339       97.57265 1710.303       151.5368 1537.835       127.5259 141.4358 6.274178 134.1342 5.567457 7.301605       8.388200 
1 1 1 -10 7  6  o 129.4502 3.979187 1431.580       87.96282 1474.369       131.0629 1396.508       118.6567 131.3290 5.844091 127.8244 5.435965 3.504601       7.981423 
1 1 1 -10 7  7  o 130.8331 3.938292 1462.328       87.98878 1427.851       132.3817 1489.613       117.7665 129.2348 5.998551 132.0205 5.223703 -2.785675      7.954225 
1 1 1 -10 7  8  o 99.41269 3.872024 844.2931       65.73274 901.6849       90.60397 780.5173       95.51022 102.5826 5.189025 95.36829 5.893557 7.214302       7.852388 
1 1 1 -10 7  9  o 555.7569 8.568129 26445.57       813.1539 22478.31       1140.954 30540.80       1159.210 511.4352 13.06398 596.6057 11.37818 -85.17050      17.32428 
1 1 1 -10 7  10 o 431.4185 6.840258 15921.44       503.9334 15944.41       627.6645 15879.79       845.3085 431.5074 8.517996 430.1181 11.50868 1.389282       14.31803 
1 1 1 -10 7  11 o 282.3260 5.134962 6813.390       247.5655 6580.811       307.3913 7242.732       417.6453 277.3722 6.489732 290.8100 8.410007 -13.43781      10.62284 
1 1 1 -10 7  12 o 264.2550 5.962950 5972.311       269.0830 5972.587       276.5023 5967.367       1169.430 264.2488 6.127506 258.7771 26.85447 5.471741       27.54467 
1 1 1 -10 7  13 o 162.7689 5.163236 2265.330       143.5143 2412.134       197.0957 2099.656       209.3808 167.8681 6.875546 156.3617 7.866729 11.50638       10.44790 
1 1 1 -10 7  14 o 209.8096 4.639712 3763.580       166.2334 3919.549       208.4362 3491.007       275.5476 214.0402 5.702641 201.8048 7.995823 12.23534       9.821064 
1 1 1 -10 7  15 o 164.3534 4.989792 2310.488       140.0435 2424.228       203.4212 2208.012       193.0856 168.1982 7.082279 160.5254 7.043757 7.672791       9.988653 
1 1 1 -10 7  16 o 176.6355 4.875978 2669.279       147.0760 2663.415       201.9824 2675.896       214.5827 176.2847 6.709607 176.6560 7.113187 -0.3713684     9.778357 
1 1 1 -10 7  17 o 70.19232 5.345779 424.3068       63.59531 392.9055       79.05296 481.9022       107.0628 67.31634 6.978322 74.37011 8.588112 -7.053772      11.06583 
1 1 1 -10 7  18 o 180.7002 4.605891 2794.909       142.1262 2701.411       177.1455 2963.830       238.1059 177.5178 5.843679 185.6993 7.508581 -8.181519      9.514587 
1 1 1 -10 7  19 o 89.89521 5.276476 694.9163       80.64450 699.0941       102.5559 688.1475       130.5381 89.96849 6.723863 88.91341 8.709237 1.055084       11.00278 
1 1 1 -10 7  20 f 155.6359 4.200402 2073.670       111.6356 1906.311       135.7732 2422.926       196.1380 149.1031 5.332436 167.8666 6.842197 -18.76355      8.674706 
1 1 1 -10 7  21 o 20.69154 8.676623 6.030864       51.66726 -27.15005      58.74908 119.3078       108.5494 19.19553 8.617739 38.64177 13.43474 -19.44624      15.96113 
1 1 1 -10 7  22 o 180.5020 4.246415 2791.288       130.8900 2840.712       159.4718 2689.260       229.1267 181.9515 5.132467 176.5168 7.601297 5.434708       9.171801 
1 1 1 -10 7  23 o 157.0797 4.069481 2113.956       109.1594 2102.477       134.1852 2136.415       187.6985 156.5134 5.020549 157.3907 6.983605 -0.8773346     8.600968 
1 1 1 -10 7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 7  25 o 117.4969 4.631075 1184.606       92.92020 1155.760       112.2097 1247.551       165.7545 115.9150 5.668770 119.6939 8.158092 -3.778870      9.934255 
1 1 1 -10 7  26 o 133.0086 4.550718 1518.540       103.3622 1428.372       124.7700 1715.792       184.5408 128.8115 5.672227 140.4871 7.721897 -11.67564      9.581329 
1 1 1 -10 7  27 o 43.28922 8.263463 168.5958       58.85796 127.5533       72.15604 250.2048       101.7477 37.48796 10.72790 52.05382 11.72776 -14.56586      15.89428 
1 1 1 -10 7  28 o 65.98416 7.583963 385.1722       83.90144 342.8239       96.83403 512.7124       168.0479 61.58765 9.513888 73.66180 13.86832 -12.07416      16.81798 
1 1 1 -10 7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 7  30 o 97.81943 5.919819 837.3265       98.42044 690.2220       117.1629 1189.986       181.4073 87.94289 7.885428 114.7174 9.341386 -26.77454      12.22463 
1 1 1 -10 7  31 o 45.54406 10.53528 198.0832       80.30740 93.13885       102.4254 365.5422       129.3845 34.08187 12.87235 60.98877 12.82965 -26.90690      18.17408 
1 1 1 -10 7  32 o 132.4078 5.099349 1531.805       115.3002 1711.172       145.6411 1230.622       188.7247 139.2452 6.124938 114.9957 9.701058 24.24950       11.47281 
1 1 1 -10 7  33 o 25.73003 10.89323 23.87292       82.70664 42.98435       98.78239 -20.93475      151.2548 28.79497 12.03019 29.89011 13.58305 -1.095144      18.14455 
1 1 1 -10 7  34 o 83.59142 7.007553 636.7217       99.10699 620.2481       120.1475 671.7962       175.3140 81.04542 8.823880 79.87350 13.32250 1.171913       15.97967 
1 1 1 -10 7  35 o 41.40337 14.74854 199.8309       131.3969 0.000000       0.000000 199.8309       131.3969 ?        ?        41.40337 14.74854 0.000000       14.74854 
1 1 1 -10 8  1  o 166.5961 4.194857 2371.431       119.3394 2278.149       185.9278 2436.787       155.6284 163.1979 6.671567 168.8368 5.397837 -5.638870      8.581751 
1 1 1 -10 8  2  o 290.7559 4.928237 7225.108       244.6933 7159.486       427.2615 7257.136       298.4923 289.1447 8.653197 291.3325 5.999877 -2.187744      10.52978 
1 1 1 -10 8  3  o 277.6056 4.821992 6585.996       228.5897 6151.982       375.1892 6842.211       288.2715 268.0737 8.195853 282.8859 5.967445 -14.81219      10.13817 
1 1 1 -10 8  4  o 184.9919 4.639859 2924.429       146.5748 2991.288       231.9795 2880.000       189.1055 186.9811 7.265242 183.5282 6.033917 3.452835       9.444146 
1 1 1 -10 8  5  o 479.2329 7.009542 19647.24       573.6384 17821.16       961.6434 20655.96       714.7260 455.4953 12.36312 491.1555 8.521550 -35.66019      15.01545 
1 1 1 -10 8  6  o 505.7280 7.666636 21888.89       662.1002 20151.90       1110.599 22846.63       824.6749 484.0753 13.43515 516.3786 9.352176 -32.30328      16.36968 
1 1 1 -10 8  7  o 321.6048 4.592689 8838.786       252.2269 8338.416       359.0142 9326.474       354.4353 312.2138 6.733759 330.2335 6.285125 -18.01962      9.211205 
1 1 1 -10 8  8  o 553.6839 6.534288 26223.38       617.8202 27127.53       875.3381 25325.85       872.1301 562.6640 9.110134 543.5972 9.395116 19.06683       13.08674 
1 1 1 -10 8  9  o 84.66802 4.821711 614.7125       69.42592 564.6237       83.38175 727.9222       125.3552 81.02532 6.070384 91.84627 8.074450 -10.82095      10.10180 
1 1 1 -10 8  10 f 280.7435 6.192697 6742.280       296.8872 6679.937       311.8011 7347.600       971.5750 279.4128 6.534755 289.9620 19.73902 -10.54916      20.79259 
1 1 1 -10 8  11 o 37.12113 7.318584 122.1125       44.74375 109.6777       51.70246 159.2053       89.29698 35.07965 8.678539 42.42449 11.86302 -7.344833      14.69858 
1 1 1 -10 8  12 o 244.9633 4.250906 5129.237       177.8216 5039.674       225.2352 5277.429       289.7252 242.7304 5.433881 248.2602 6.834036 -5.529755      8.731043 
1 1 1 -10 8  13 o 364.0634 6.715333 11351.93       417.4905 12017.18       598.8793 10722.99       582.3106 374.0308 9.376270 353.2531 9.653100 20.77768       13.45722 
1 1 1 -10 8  14 o 154.4986 4.395290 2041.156       115.9615 2029.682       142.3174 2063.824       200.0268 154.0038 5.411590 155.1259 7.550955 -1.122177      9.289899 
1 1 1 -10 8  15 o 167.8940 4.213569 2410.690       120.8056 2325.619       149.5800 2570.266       204.8641 164.8266 5.314277 173.1246 6.929553 -8.297958      8.732711 
1 1 1 -10 8  16 o 166.8127 4.226828 2380.389       120.4053 2360.934       150.0451 2415.575       201.7834 166.0409 5.291817 167.7607 7.043576 -1.719803      8.809954 
1 1 1 -10 8  17 o 216.5543 4.291628 4013.062       158.7051 3707.732       194.0004 4630.824       275.9489 208.0094 5.461573 232.2041 6.959161 -24.19464      8.846395 
1 1 1 -10 8  18 o 170.9528 4.088357 2500.962       119.3513 2542.375       149.8585 2429.134       197.3611 172.2548 5.094576 168.1333 6.873943 4.121567       8.556039 
1 1 1 -10 8  19 o 146.0192 4.007854 1824.946       99.93645 1772.824       122.2083 1930.161       173.6315 143.8242 4.975844 149.8296 6.786237 -6.005402      8.414989 
1 1 1 -10 8  20 o 127.6391 3.574929 1394.054       77.92077 1365.442       93.39173 1459.601       141.3541 126.2586 4.331573 130.3017 6.352671 -4.043159      7.688885 
1 1 1 -10 8  21 o 32.31322 8.889261 93.28101       50.58731 100.2368       59.19240 74.43784       97.42462 33.61158 9.745263 33.42927 12.56971 0.1823120      15.90496 
1 1 1 -10 8  22 o 161.6836 4.101452 2239.730       113.2415 2246.451       135.9980 2224.534       204.4919 161.8039 4.922001 160.4999 7.461042 1.304047       8.938302 
1 1 1 -10 8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 8  24 o 48.68505 6.772779 208.2741       54.78210 259.1382       63.50230 60.28321       108.3182 54.35630 7.004243 33.17766 13.04719 21.17864       14.80840 
1 1 1 -10 8  25 o 44.75212 7.456590 177.8295       54.97921 211.5176       64.33691 86.62748       105.8582 48.77720 8.001518 35.13269 13.12354 13.64450       15.37048 
1 1 1 -10 8  26 o 114.8476 4.720582 1133.738       92.58047 1001.783       108.1945 1494.517       178.9005 107.5974 5.911120 130.8020 8.048376 -23.20465      9.985875 
1 1 1 -10 8  27 o 54.08504 7.999686 260.9520       71.65517 241.0289       83.48212 316.7043       139.6518 51.39764 9.870276 57.62585 14.26719 -6.228207      17.34863 
1 1 1 -10 8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 8  29 o 96.53884 5.121483 809.7769       84.12858 690.6338       103.9385 1036.116       143.2591 88.48615 6.934077 108.0443 7.817386 -19.55817      10.44954 
1 1 1 -10 8  30 o 39.97892 8.699485 148.5157       57.70399 121.2116       68.12428 217.8555       108.5622 35.88301 10.46937 47.00441 13.05783 -11.12140      16.73662 
1 1 1 -10 8  31 o 23.52423 9.289781 32.73743       55.12851 28.38628       61.57246 50.32191       123.7797 23.91039 9.689549 32.17262 13.45611 -8.262232      16.58175 
1 1 1 -10 8  32 o 109.6117 5.528571 1060.332       103.1502 1011.150       129.7295 1144.874       170.0870 105.8303 7.221516 110.9590 9.055451 -5.128708      11.58238 
1 1 1 -10 8  33 o 39.77344 10.85011 159.3329       75.73755 125.9420       93.54182 222.8840       129.0485 35.63465 12.46684 44.87300 14.64788 -9.238354      19.23493 
1 1 1 -10 8  34 o 95.29939 6.076279 817.8162       98.36948 818.7462       124.8043 816.2908       159.8382 93.74271 7.869132 90.75853 10.50747 2.984177       13.12746 
1 1 1 -10 9  1  o 353.0856 5.587416 10662.55       336.8937 10380.95       562.3305 10820.21       420.7636 347.8466 9.466773 355.5259 6.930507 -7.679291      11.73251 
1 1 1 -10 9  2  f 227.3993 4.390557 4419.604       170.4947 4291.246       280.0995 4495.154       214.8896 223.8738 7.326679 229.2704 5.488648 -5.396606      9.154533 
1 1 1 -10 9  3  o 282.0882 4.863242 6802.378       234.2679 6771.010       397.3464 6819.091       290.0398 281.1188 8.277087 282.3452 6.015550 -1.226379      10.23216 
1 1 1 -10 9  4  o 407.0766 5.652016 14171.60       392.8994 13489.21       654.6560 14555.76       491.1988 396.5453 9.667594 412.3849 6.975133 -15.83960      11.92119 
1 1 1 -10 9  5  o 128.3448 3.677787 1407.424       80.60590 1405.556       118.1957 1409.049       110.2107 128.2091 5.398596 128.3808 5.027147 -0.1717529     7.376791 
1 1 1 -10 9  6  o 176.9474 4.677339 2676.402       141.3334 2872.946       227.6117 2553.068       180.3050 183.1824 7.276274 172.7531 6.111952 10.42924       9.502638 
1 1 1 -10 9  7  o 121.1332 3.661435 1253.751       75.73842 1286.022       110.2164 1224.877       104.2528 122.6351 5.262953 119.6896 5.100696 2.945465       7.329105 
1 1 1 -10 9  8  f 290.1707 4.952858 7199.197       245.4208 7135.720       309.4347 7306.841       402.9521 288.7670 6.275083 291.9944 8.081223 -3.227386      10.23146 
1 1 1 -10 9  9  o 61.93882 5.341444 330.5592       55.94428 299.4871       77.28103 364.7704       81.09072 58.58602 7.928274 64.82851 7.461011 -6.242493      10.88688 
1 1 1 -10 9  10 o 236.3414 4.079900 4774.481       164.6612 4800.442       207.4792 4730.307       270.6444 236.9081 5.128529 235.0234 6.743510 1.884659       8.472116 
1 1 1 -10 9  11 o 20.07376 7.925786 18.88856       40.12165 17.36373       46.54880 23.29501       79.13027 21.06496 8.463905 26.85938 10.94717 -5.794428      13.83757 
1 1 1 -10 9  12 o 211.1036 4.637006 3811.587       167.1611 4023.510       251.0762 3642.859       224.0317 216.6817 6.785492 206.2229 6.361661 10.45880       9.301270 
1 1 1 -10 9  13 f 100.2747 4.315711 859.9658       73.90022 912.5312       90.16894 752.4154       128.9771 103.2591 5.113601 93.24165 8.183031 10.01742       9.649400 
1 1 1 -10 9  14 o 126.1355 4.201563 1360.900       90.50033 1328.003       110.5716 1427.662       157.5183 124.5423 5.199056 128.7719 7.191948 -4.229599      8.874362 
1 1 1 -10 9  15 o 237.4784 4.591478 4826.961       186.1995 4822.561       228.6748 4835.620       320.7528 237.2231 5.644941 237.1241 7.921234 0.9899902E-01  9.726834 
1 1 1 -10 9  16 o 157.9555 4.160041 2135.023       112.2107 2273.135       138.2796 1868.715       192.0152 162.9074 4.970676 147.1918 7.665744 15.71555       9.136260 
1 1 1 -10 9  17 o 227.3210 4.481920 4424.624       173.9825 4305.332       211.9377 4671.146       304.6696 224.0692 5.538907 232.9384 7.659247 -8.869202      9.452172 
1 1 1 -10 9  18 o 163.2569 3.333647 2279.692       92.93794 2178.252       107.4227 2581.597       185.3222 159.5276 3.943286 173.3481 6.260464 -13.82048      7.398846 
1 1 1 -10 9  19 o 90.41409 3.826539 699.7484       59.08049 644.7335       67.63576 876.8825       121.3634 86.61916 4.588934 100.6582 7.106168 -14.03908      8.459074 
1 1 1 -10 9  20 o 221.3673 3.642605 4194.567       137.6979 4037.053       157.6510 4701.361       282.7818 217.0725 4.252948 233.5452 7.090528 -16.47275      8.268201 
1 1 1 -10 9  21 o 180.9358 4.044246 2804.627       124.9580 2672.265       151.7132 3083.827       220.3439 176.4526 5.034932 189.1458 6.821853 -12.69322      8.478692 
1 1 1 -10 9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 9  23 o 67.79829 5.840946 398.3472       66.96444 378.8289       80.83018 441.0572       119.5685 65.82324 7.314761 70.36150 10.25262 -4.538261      12.59452 
1 1 1 -10 9  24 o 41.67962 7.676153 155.0654       52.62171 143.6312       57.79949 210.4434       127.2012 39.89100 8.727560 48.02977 14.38223 -8.138763      16.82317 
1 1 1 -10 9  25 o 86.71501 5.722198 650.9280       84.25796 591.3334       99.19493 805.3261       159.6640 82.31610 7.127044 95.27142 9.961207 -12.95531      12.24828 
1 1 1 -10 9  26 o 51.09729 8.159994 233.6277       68.80610 252.5024       78.89054 173.6334       140.6503 52.90832 9.057399 44.43314 15.30156 8.475174       17.78129 
1 1 1 -10 9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 9  28 o 28.24184 9.614963 67.40826       55.50106 113.3537       62.58729 -101.7225      120.0815 35.00482 9.982301 24.42946 11.44763 10.57536       15.18863 
1 1 1 -10 9  29 o 72.36991 5.453137 458.3468       66.89651 449.9508       79.23409 479.1872       124.8331 71.30786 6.581135 71.77360 10.49518 -0.4657364     12.38790 
1 1 1 -10 9  30 o 61.50746 6.498956 336.8967       67.22736 338.0801       81.66253 334.4080       118.4201 60.97171 8.039223 58.43251 12.25889 2.539200       14.65979 
1 1 1 -10 9  31 o 59.43469 7.460954 321.7429       74.05567 370.7604       87.56480 198.6184       138.7797 63.41969 8.283311 43.65703 15.19004 19.76266       17.30175 
1 1 1 -10 9  32 o 80.05553 6.136078 573.6505       83.24644 599.7979       100.6695 517.1028       148.0441 81.07380 7.351299 71.01656 12.67241 10.05724       14.65031 
1 1 1 -10 9  33 o 31.62337 10.04289 97.78098       60.94444 40.61942       69.12445 297.3279       129.1523 25.40916 10.27719 51.55069 14.21262 -26.14153      17.53908 
1 1 1 -10 9  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 10 1  o 147.0199 4.672307 1848.470       117.3031 1924.519       150.1376 1729.305       187.9403 149.9455 5.863464 141.7907 7.791829 8.154755       9.751554 
1 1 1 -10 10 2  o 109.0657 3.964303 1016.782       73.83410 1006.902       116.7849 1023.360       95.29608 108.2571 6.344967 109.3784 5.102014 -1.121315      8.141814 
1 1 1 -10 10 3  o 125.0885 3.815096 1337.342       81.49387 1502.609       130.1352 1230.719       104.5272 132.5081 5.751096 119.9510 5.102975 12.55707       7.688658 
1 1 1 -10 10 4  o 142.3406 3.935243 1731.772       95.65381 1873.021       154.3667 1643.733       121.8712 147.9209 6.111140 138.6229 5.148305 9.298004       7.990687 
1 1 1 -10 10 5  o 107.5110 4.003150 988.0042       73.49480 1004.105       104.8359 972.4437       103.0615 108.1730 5.695371 106.4499 5.690164 1.723106       8.050790 
1 1 1 -10 10 6  o 117.3839 4.172924 1177.939       83.64711 1339.646       109.8148 954.4424       129.1015 125.1424 5.138715 105.2886 7.224089 19.85384       8.865317 
1 1 1 -10 10 7  o 163.4937 3.835774 2284.760       107.0917 2296.567       137.2016 2266.351       171.3186 163.8598 4.903261 162.6952 6.166347 1.164536       7.878185 
1 1 1 -10 10 8  o 105.1999 4.380438 946.3273       78.69273 989.3435       127.3005 919.7236       100.1118 107.2169 6.991140 103.5033 5.685869 3.713608       9.011390 
1 1 1 -10 10 9  o 176.8522 3.725556 2673.543       112.5132 2997.634       167.2759 2405.775       152.0474 187.1612 5.233782 167.6639 5.310525 19.49728       7.456149 
1 1 1 -10 10 10 o 245.4773 5.889790 5160.936       246.8955 5179.065       360.7526 5144.961       338.6230 245.4813 8.605757 244.7626 8.101576 0.7187500      11.81925 
1 1 1 -10 10 11 o 370.0569 6.123011 11734.91       386.9327 11903.90       481.8492 11428.09       649.2628 372.3547 7.577960 363.9339 10.44711 8.420868       12.90611 
1 1 1 -10 10 12 o 122.9976 4.139982 1294.062       86.95546 1349.750       110.0153 1201.357       141.9454 125.5550 5.131175 118.0962 7.071078 7.458824       8.736652 
1 1 1 -10 10 13 o 244.2132 5.117039 5107.823       213.3977 5092.813       268.5727 5133.526       351.4554 243.6346 6.455369 244.1903 8.428298 -0.5556946     10.61640 
1 1 1 -10 10 14 o 225.5578 4.560505 4355.433       175.6599 4286.948       219.1523 4478.498       293.7762 223.6059 5.739328 228.2029 7.538648 -4.597046      9.474761 
1 1 1 -10 10 15 o 171.6159 4.162077 2520.697       121.9747 2431.470       151.0657 2687.824       206.7486 168.4326 5.252159 176.8558 6.845755 -8.423157      8.628414 
1 1 1 -10 10 16 o 140.0913 4.082315 1679.918       97.66068 1658.965       117.6377 1726.382       175.1785 139.1325 4.951261 141.4460 7.277165 -2.313461      8.801824 
1 1 1 -10 10 17 o 36.18495 6.714169 116.1747       39.96043 143.6991       43.69899 -24.35166      98.73966 40.37311 6.563845 26.03999 11.45901 14.33312       13.20579 
1 1 1 -10 10 18 o 18.59866 7.073771 20.86918       31.06757 28.33462       32.85759 -42.10197      95.42866 20.13404 7.348276 24.46356 10.98301 -4.329521      13.21452 
1 1 1 -10 10 19 o 105.1537 3.662635 946.5648       65.76881 902.3790       73.25452 1130.220       149.3462 102.6298 4.179835 114.1450 7.707027 -11.51519      8.767513 
1 1 1 -10 10 20 o 65.64338 13.50972 394.6077       146.3902 380.0171       157.2518 489.4147       400.8484 64.09949 14.68171 72.88290 25.78156 -8.783409      29.66887 
1 1 1 -10 10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 10 22 o 185.1917 3.895845 2938.446       123.2041 2954.767       142.2276 2889.385       246.5969 185.6006 4.487482 182.6582 7.905810 2.942337       9.090617 
1 1 1 -10 10 23 o 141.6728 3.797852 1719.893       91.88116 1582.217       103.0517 2253.662       202.9095 135.7945 4.443967 161.3793 7.362961 -25.58479      8.600119 
1 1 1 -10 10 24 o 86.36151 4.929098 643.4371       72.39111 636.8593       80.96176 669.6639       161.6637 85.79868 5.555660 86.32292 11.23303 -0.5242462     12.53181 
1 1 1 -10 10 25 o 69.30724 6.344704 419.5383       74.25840 303.7871       81.91311 953.4710       175.9275 58.32389 8.472233 103.3108 10.10133 -44.98688      13.18392 
1 1 1 -10 10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 10 27 o 31.11657 8.811629 88.52213       48.94471 86.40582       52.66565 101.9313       132.5678 30.86989 9.256698 37.45013 14.51727 -6.580238      17.21736 
1 1 1 -10 10 28 o 21.76966 8.539520 27.13973       46.29264 30.01560       51.47552 14.97720       105.8592 22.87840 8.995146 28.53854 12.21056 -5.660145      15.16609 
1 1 1 -10 10 29 o 60.66717 6.241002 326.5543       63.73395 228.1035       75.31786 574.8270       119.6060 49.44454 9.260586 79.25410 8.996922 -29.80957      12.91135 
1 1 1 -10 10 30 o 34.69190 9.343708 114.8663       56.59176 102.5417       62.86920 167.5006       129.9232 32.88596 10.16518 41.06438 14.66157 -8.178425      17.84075 
1 1 1 -10 10 31 o 42.21489 8.134689 167.7099       56.51534 150.0441       62.44439 247.7084       132.8824 39.32765 9.421820 47.45552 14.79662 -8.127865      17.54168 
1 1 1 -10 10 32 o 24.45012 9.103952 47.84453       50.86274 58.59476       55.43132 -9.425537      127.9411 26.22483 9.548415 28.02660 12.63769 -1.801769      15.83930 
1 1 1 -10 10 33 o 27.45244 9.304672 71.00056       51.97438 90.69279       56.73962 -31.68355      129.5659 30.36597 9.695205 26.63526 12.27793 3.730711       15.64431 
1 1 1 -10 11 1  o 264.0940 6.032112 5976.630       272.0382 6118.061       1275.622 5969.892       278.4436 255.3813 29.81138 263.9218 6.178174 -8.540451      30.44484 
1 1 1 -10 11 2  o 185.5688 4.916209 2947.115       155.7891 2945.089       215.2396 2949.343       225.7760 185.3073 6.801860 185.4001 7.131255 -0.9278870E-01 9.854953 
1 1 1 -10 11 3  o 222.2525 4.094718 4224.339       155.4077 4089.776       251.1892 4307.789       197.8111 218.3870 6.735536 224.3314 5.163672 -5.944397      8.487105 
1 1 1 -10 11 4  o 217.2398 4.095515 4035.906       151.9322 3879.136       248.8491 4129.073       191.8370 212.6751 6.852002 219.6353 5.114797 -6.960175      8.550502 
1 1 1 -10 11 5  o 57.29620 5.399042 283.5562       52.20269 282.0541       65.71886 286.1243       85.93291 56.93473 6.900386 56.96424 9.143240 -0.2951431E-01 11.45488 
1 1 1 -10 11 6  o 173.2761 3.802838 2567.212       112.5248 2527.624       177.7430 2593.691       145.3641 171.7486 6.060345 174.0873 4.889767 -2.338669      7.787015 
1 1 1 -10 11 7  o 163.9991 3.358877 2299.050       94.06703 2317.810       134.8903 2281.289       131.2463 164.5695 4.799869 163.2750 4.707230 1.294464       6.722853 
1 1 1 -10 11 8  o 207.0102 4.091977 3665.382       144.6528 3409.614       262.3226 3777.137       173.3988 199.2112 7.711166 210.0694 4.833718 -10.85823      9.100929 
1 1 1 -10 11 9  o 239.4551 3.936411 4904.164       160.9632 5299.315       229.0404 4518.555       226.2576 248.7284 5.392433 229.6224 5.770148 19.10600       7.897655 
1 1 1 -10 11 10 o 190.9179 3.566023 3116.821       116.2607 3074.046       173.3588 3151.783       156.7306 189.4261 5.359251 191.8717 4.783447 -2.445557      7.183518 
1 1 1 -10 11 11 o 26.37749 8.153988 59.69260       40.45192 36.46238       53.32090 91.19260       62.09063 24.42546 9.272588 32.55232 10.10864 -8.126862      13.71735 
1 1 1 -10 11 12 o 139.5207 3.893982 1665.386       92.77579 1688.801       115.0129 1621.769       156.9752 140.4259 4.796205 137.4149 6.689523 3.010941       8.231239 
1 1 1 -10 11 13 o 173.5079 4.047334 2576.358       119.9196 2637.090       150.7653 2471.755       197.8621 175.4314 5.032596 169.5904 6.832181 5.841019       8.485619 
1 1 1 -10 11 14 f 68.41470 4.909488 403.1554       56.97577 404.9485       71.16841 399.9549       95.08160 68.39708 6.159301 67.57118 8.422997 0.8258972      10.43474 
1 1 1 -10 11 15 o 104.6162 4.147986 937.1104       74.10339 942.1081       87.44164 924.3738       139.5918 104.8379 4.884253 103.2131 7.982012 1.624779       9.357801 
1 1 1 -10 11 16 o 145.1503 3.994038 1803.980       98.99927 1769.595       120.0573 1877.036       174.9983 143.6590 4.893886 147.6410 6.941046 -3.982040      8.492834 
1 1 1 -10 11 17 o 91.20929 4.251364 712.7372       66.21697 676.7458       78.32485 802.9100       123.9761 88.65237 5.196475 96.15667 7.612398 -7.504303      9.216938 
1 1 1 -10 11 18 o 23.22371 7.882957 43.23068       37.30540 53.81346       40.09701 -24.93011      101.7606 25.28433 8.158415 26.36936 11.61740 -1.085035      14.19591 
1 1 1 -10 11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 11 21 f 68.60602 4.229704 405.0932       49.31185 392.9803       52.59151 493.2252       141.8596 67.52057 4.588411 74.03305 11.60219 -6.512482      12.47655 
1 1 1 -10 11 22 o 64.55730 5.144234 360.4861       56.24036 294.1256       60.58979 773.5518       151.1659 58.08592 6.204374 93.63142 9.589620 -35.54549      11.42169 
1 1 1 -10 11 23 f 54.38765 5.150242 256.8474       47.26343 247.8240       49.93256 334.5440       146.5209 53.33994 5.563766 59.57137 14.53250 -6.231426      15.56113 
1 1 1 -10 11 24 o 115.2995 4.872694 1145.421       95.93976 1095.895       113.9935 1265.698       177.6455 112.3765 5.961545 119.7156 8.750256 -7.339066      10.58806 
1 1 1 -10 11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 11 26 o 54.78745 14.17486 294.2180       133.6268 139.9965       219.5682 384.9406       168.4049 44.87691 18.25675 61.92906 15.85600 -17.05215      24.18102 
1 1 1 -10 11 27 o 88.13271 5.074860 676.3243       76.05431 582.8898       86.22758 1003.684       161.4005 81.38357 6.252308 105.3425 9.060371 -23.95890      11.00826 
1 1 1 -10 11 28 o 54.92063 12.60514 297.2971       115.7149 272.5589       208.5890 308.2948       139.0777 50.78358 18.51757 54.84683 14.59344 -4.063248      23.57687 
1 1 1 -10 11 29 o 52.30414 6.149714 244.5386       53.87918 238.5113       58.63615 277.2292       136.5575 51.37457 6.854678 51.12606 14.79574 0.2485085      16.30646 
1 1 1 -10 11 30 o 21.01342 7.886493 32.24723       38.31695 2.191904       40.17123 335.4432       127.5899 17.51442 7.508579 56.48930 13.42452 -38.97488      15.38169 
1 1 1 -10 11 31 o 31.55677 8.332860 95.47295       45.56851 76.91749       48.62918 229.1153       130.5068 28.52046 8.960687 45.27401 14.72806 -16.75355      17.23977 
1 1 1 -10 11 32 o 28.69961 8.664009 79.66098       46.02342 85.63258       49.14049 37.01976       131.3133 29.64450 8.953350 30.18870 13.25126 -0.5441971     15.99245 
1 1 1 -10 12 1  o 143.1636 4.109126 1753.651       100.4579 1737.541       162.7374 1763.569       127.6909 142.2591 6.698931 143.4770 5.211655 -1.217926      8.487462 
1 1 1 -10 12 2  o 110.3608 5.279241 1043.472       99.49200 1295.132       276.0457 1005.900       106.6606 121.0949 13.58328 108.1650 5.795587 12.92992       14.76802 
1 1 1 -10 12 3  o 156.2471 5.653553 2092.573       150.8465 2043.594       164.5107 2351.212       378.0387 154.3423 6.241763 163.5675 13.65934 -9.225174      15.01789 
1 1 1 -10 12 4  o 301.6004 5.091333 7791.186       262.2197 7782.047       434.9365 7796.404       328.6690 300.5881 8.473291 301.4300 6.385140 -0.8418274     10.60975 
1 1 1 -10 12 5  o 111.5203 4.010097 1063.987       76.36789 1131.010       110.3977 1002.485       105.7530 114.8695 5.627987 107.9849 5.755689 6.884598       8.049981 
1 1 1 -10 12 6  o 174.7384 3.670436 2611.426       109.5237 2663.714       160.4638 2565.821       149.8591 176.3154 5.329482 173.0742 5.070479 3.241211       7.356163 
1 1 1 -10 12 7  o 139.1411 5.635894 1659.738       133.9122 1555.589       210.7596 1730.250       173.4163 133.9350 9.271957 141.7079 7.189834 -7.772949      11.73298 
1 1 1 -10 12 8  o 117.3370 3.746844 1177.718       75.07626 1214.813       108.0653 1143.110       104.3784 119.0599 5.315189 115.4946 5.292332 3.565285       7.500667 
1 1 1 -10 12 9  o 114.2783 3.779689 1117.230       73.76012 1094.394       106.5347 1138.256       102.2239 112.9801 5.521885 115.2493 5.194125 -2.269218      7.580907 
1 1 1 -10 12 10 o 103.3617 3.743929 914.0366       66.08292 958.3661       96.81580 875.3688       90.42218 105.5893 5.387307 100.9169 5.265224 4.672310       7.532972 
1 1 1 -10 12 11 o 102.9467 3.662786 906.7373       64.39109 947.6567       91.41620 866.4446       90.71338 105.1442 5.091383 100.3822 5.310807 4.762047       7.357095 
1 1 1 -10 12 12 o 171.6544 3.683860 2521.273       107.9842 2598.186       155.7361 2450.056       149.8587 174.0610 5.239451 169.0330 5.191688 5.027985       7.376007 
1 1 1 -10 12 13 o 327.5981 5.450165 9209.279       304.8969 9353.521       379.8414 8947.981       511.2378 329.7164 6.746208 321.3812 9.315379 8.335236       11.50164 
1 1 1 -10 12 14 o 166.9613 4.140709 2387.402       118.0572 2380.969       145.2371 2399.930       202.6867 166.6046 5.104917 166.9050 7.111380 -0.3004150     8.753964 
1 1 1 -10 12 15 o 136.6217 4.227704 1599.096       98.63390 1498.119       117.8104 1835.775       180.3650 132.1211 5.221671 145.9103 7.238764 -13.78918      8.925556 
1 1 1 -10 12 16 o 28.86832 8.353887 73.67580       43.53427 64.69804       48.31912 112.3898       100.3387 27.69823 8.957847 37.31595 12.91988 -9.617714      15.72153 
1 1 1 -10 12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 12 19 o 121.9900 4.045339 1275.340       84.27158 1150.183       94.92033 1741.141       183.1184 115.7624 4.801642 141.6832 7.596210 -25.92077      8.986555 
1 1 1 -10 12 20 o 87.57817 4.332946 657.8737       64.80090 629.0657       70.26085 821.9153       167.6618 85.45763 4.834424 96.35566 10.35185 -10.89803      11.42508 
1 1 1 -10 12 21 o 19.27695 7.579536 18.83850       36.55021 21.63785       37.85035 -19.82238      140.6621 19.90810 7.745978 31.36857 13.74332 -11.46047      15.77590 
1 1 1 -10 12 22 o 140.7030 6.997016 1718.060       168.1195 1284.597       277.4348 1969.600       211.3432 118.1718 14.02177 149.9543 8.285437 -31.78249      16.28676 
1 1 1 -10 12 23 o 34.77945 13.57277 77.59032       116.4809 482.5754       220.9548 -78.27496      137.0751 69.22366 18.38251 27.78409 12.74121 41.43956       22.36638 
1 1 1 -10 12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 12 25 o 66.58825 11.06242 412.8867       121.3770 558.4549       220.4955 349.5987       145.3874 73.42064 17.77640 59.54951 14.44499 13.87113       22.90542 
1 1 1 -10 12 26 o 105.4125 7.411701 987.2350       132.5686 1032.745       233.1998 965.5057       161.1385 103.3826 13.53428 103.1392 9.247209 0.2434464      16.39170 
1 1 1 -10 12 27 o 96.75320 7.774221 840.5641       127.3625 1077.301       266.9685 770.8077       144.9170 102.5375 15.75041 91.60668 9.396861 10.93077       18.34056 
1 1 1 -10 12 28 o 63.79786 10.11266 386.6280       106.4980 470.5081       211.8705 358.2694       123.1922 63.42287 18.45124 59.86182 12.45665 3.561054       22.26244 
1 1 1 -10 12 29 o 28.86528 11.85755 49.46174       93.75667 230.6993       201.2185 -0.7971377     105.9620 45.44931 17.81075 26.65540 11.79333 18.79391       21.36131 
1 1 1 -10 12 30 o 58.80251 10.82493 343.5224       104.6931 340.9888       212.1220 344.3383       120.3761 51.29586 18.67840 57.45279 12.61500 -6.156925      22.53932 
1 1 1 -10 12 31 o 60.90193 10.69785 374.1224       107.1978 147.0052       214.6253 449.6124       123.7373 39.14241 17.06713 66.26878 11.34206 -27.12636      20.49218 
1 1 1 -10 13 1  o 276.6389 5.926496 6569.057       279.9711 6059.234       403.9632 7040.291       388.3746 264.7972 8.933598 285.7828 7.958163 -20.98553      11.96418 
1 1 1 -10 13 2  o 103.3632 4.769281 915.3328       84.18233 910.1368       114.4808 921.4503       124.2180 102.7093 6.561368 103.2592 7.087467 -0.5498352     9.658352 
1 1 1 -10 13 3  o 296.6743 5.052640 7543.665       255.9766 7165.208       424.4119 7760.049       320.9171 288.0921 8.626889 300.5966 6.251825 -12.50452      10.65404 
1 1 1 -10 13 4  o 79.66203 5.218415 546.3558       70.59685 521.1959       150.3322 553.4741       79.96233 76.47737 11.89789 80.09178 5.887771 -3.614410      13.27500 
1 1 1 -10 13 5  o 143.4843 5.611290 1766.202       137.4894 1740.599       216.1861 1783.591       178.1624 141.6436 8.984273 143.7769 7.280197 -2.133316      11.56367 
1 1 1 -10 13 6  o 106.5115 3.631404 970.6008       66.05006 996.4175       92.88444 944.1927       93.94231 107.8179 5.044873 104.9381 5.242352 2.879784       7.275507 
1 1 1 -10 13 7  o 98.47228 3.883826 829.8906       65.30940 799.8008       90.69435 862.2991       94.12399 96.39771 5.532663 100.1057 5.527458 -3.708008      7.820688 
1 1 1 -10 13 8  o 98.83531 3.864812 836.0586       65.22926 841.3552       94.68098 831.2734       89.99361 98.85703 5.631898 98.29662 5.381753 0.5604172      7.789836 
1 1 1 -10 13 9  o 197.8573 3.596011 3349.737       121.4996 3370.125       175.5461 3330.990       168.3337 198.2286 5.185886 197.1051 5.001166 1.123520       7.204518 
1 1 1 -10 13 10 o 138.7465 3.519458 1647.163       83.38725 1775.805       119.9688 1526.920       115.9867 143.9219 4.881348 133.4320 5.090334 10.48984       7.052592 
1 1 1 -10 13 11 o 128.0867 3.594882 1404.043       78.63045 1424.726       113.2999 1384.826       109.2131 128.8710 5.148405 127.0669 5.033157 1.804100       7.199913 
1 1 1 -10 13 12 o 222.0726 4.100924 4223.914       155.5172 4584.266       220.3788 3866.452       219.4930 231.0443 5.585636 212.0778 6.060711 18.96654       8.242060 
1 1 1 -10 13 13 o 80.42522 4.884962 556.8470       66.77193 539.3907       77.85100 605.4205       129.8638 79.01363 5.810559 83.01479 9.321868 -4.001152      10.98453 
1 1 1 -10 13 14 o 123.8212 11.52894 1354.787       240.9717 1182.211       336.7274 1535.940       344.9939 112.8700 18.08054 130.0462 15.86383 -17.17619      24.05342 
1 1 1 -10 13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 13 17 o 116.4591 4.436844 1163.162       88.23678 1156.370       105.7362 1178.740       160.1368 116.0042 5.337625 116.3674 8.109262 -0.3631897     9.708262 
1 1 1 -10 13 18 o 32.83147 7.197383 96.73438       39.23954 92.93301       42.10148 121.8775       108.2770 32.12860 7.760814 38.64091 13.41881 -6.512310      15.50144 
1 1 1 -10 13 19 o 53.81406 7.152980 254.8513       64.10467 290.8188       70.78676 90.87071       151.1448 57.49399 7.380263 39.17160 15.40965 18.32240       17.08583 
1 1 1 -10 13 20 o 86.79830 5.477677 651.8159       80.77485 689.9620       92.75442 532.0900       164.3251 89.16690 6.128783 75.99764 13.13725 13.16926       14.49653 
1 1 1 -10 13 21 o 147.3972 6.784038 1887.325       170.7574 1932.989       282.6371 1861.076       214.2866 146.5363 11.38425 145.3467 8.673040 1.189621       14.31163 
1 1 1 -10 13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 13 23 o 16.13387 8.164557 -370.3412      111.0664 -706.4749      225.6406 -262.8586      127.5940 23.08261 11.67579 20.39801 10.07362 2.684601       15.42082 
1 1 1 -10 13 24 f 26.41674 11.81032 -28.20446      109.1249 339.5115       209.1873 -165.6833      127.9078 56.82366 18.65434 23.03004 11.07732 33.79362       21.69543 
1 1 1 -10 13 25 o 97.55385 7.711979 850.4024       127.4256 1179.003       228.7782 702.6116       153.4280 111.4571 12.22042 86.95693 10.54823 24.50017       16.14323 
1 1 1 -10 13 26 o 31.73595 12.34042 73.63101       96.02203 -151.8976      206.4164 135.9126       108.4734 30.94578 14.65637 38.16654 13.42096 -7.220766      19.87288 
1 1 1 -10 13 27 o 89.83332 8.169429 737.4475       123.9533 854.5901       265.9453 704.9376       140.1015 86.12789 18.62421 86.74375 9.620082 -0.6158600     20.96204 
1 1 1 -10 13 28 o 63.96832 12.07527 413.3924       127.0703 252.0282       256.6118 465.8145       146.2616 46.79622 19.45651 66.95859 13.26059 -20.16237      23.54568 
1 1 1 -10 13 29 o 64.47664 11.49776 419.0825       121.9528 512.6666       216.2615 375.4469       147.6722 63.15117 18.71740 57.90305 14.86020 5.248119       23.89909 
1 1 1 -10 13 30 o 21.78388 10.15743 -53.20931      92.62720 205.2504       203.6543 -120.6212      104.0077 41.72211 17.33876 20.48107 9.885886 21.24104       19.95904 
1 1 1 -10 14 1  o 177.1087 4.266574 2686.855       129.0391 2529.428       216.7513 2773.282       160.6003 171.2900 7.410164 179.7900 5.230932 -8.499985      9.070457 
1 1 1 -10 14 2  o 203.0313 4.191769 3530.510       145.3323 3604.303       238.0861 3486.683       183.4822 204.6254 6.813537 201.5757 5.330326 3.049652       8.650818 
1 1 1 -10 14 3  o 237.6165 10.90665 4921.658       442.5579 4590.067       619.5502 5267.135       632.3901 226.2396 16.14230 242.9881 15.31888 -16.74852      22.25403 
1 1 1 -10 14 4  o 76.07280 4.881275 498.2100       63.07631 530.8986       94.54019 471.9850       84.67899 78.18192 7.160775 73.74384 6.800946 4.438087       9.875706 
1 1 1 -10 14 5  o 78.06961 5.984517 526.7255       79.17608 636.0043       178.7592 500.0553       88.31087 84.20741 12.83735 75.90478 6.888083 8.302628       14.56857 
1 1 1 -10 14 6  o 130.2401 4.493615 1453.583       99.94075 1343.003       126.0617 1640.677       163.9739 125.0236 5.904583 137.8415 6.989008 -12.81796      9.149336 
1 1 1 -10 14 7  o 224.8013 3.896167 4326.904       149.5678 4037.594       214.0753 4602.806       209.0557 216.7940 5.782523 231.5874 5.286219 -14.79340      7.834646 
1 1 1 -10 14 8  o 128.6342 3.641805 1416.323       79.99729 1304.721       114.6955 1522.046       111.6332 123.2733 5.448479 133.2143 4.907276 -9.940994      7.332618 
1 1 1 -10 14 9  o 68.03914 12.90130 420.1382       144.4122 372.4544       177.0556 514.9025       249.6011 63.28057 16.28848 73.67961 19.52451 -10.39904      25.42677 
1 1 1 -10 14 10 o 100.0595 11.76076 888.9976       197.1200 982.5415       259.9177 762.3544       302.4258 104.0511 15.06656 89.39783 20.27649 14.65327       25.26138 
1 1 1 -10 14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 14 14 o 86.36007 5.119464 642.6300       75.16194 670.1081       90.25426 580.4504       135.7684 88.03941 6.039802 80.99458 10.03069 7.044838       11.70871 
1 1 1 -10 14 15 o 181.5103 4.560652 2826.514       141.3612 2811.734       173.5316 2855.667       243.7244 180.8116 5.620182 181.5927 7.859568 -0.7810822     9.662259 
1 1 1 -10 14 16 o 118.6113 4.625710 1207.472       93.69282 1179.442       114.7096 1263.649       162.3945 117.0634 5.738216 120.4855 7.937318 -3.422089      9.794291 
1 1 1 -10 14 17 o 158.5813 4.477860 2159.010       121.2619 1988.816       144.0222 2573.493       224.7551 151.9802 5.549326 172.2382 7.641493 -20.25795      9.443911 
1 1 1 -10 14 18 o 177.7030 4.803014 2715.849       145.7507 2716.040       175.3828 2715.421       262.0438 177.4200 5.788719 176.2419 8.706885 1.178101       10.45558 
1 1 1 -10 14 19 o 146.8185 4.658502 1855.348       116.7963 1920.014       138.9073 1699.326       215.7651 149.1339 5.454401 138.6517 9.164536 10.48216       10.66486 
1 1 1 -10 14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 14 22 o 66.52892 12.54860 421.2856       137.3355 231.5009       226.5719 531.5141       172.6723 50.16701 19.09757 73.94860 14.18993 -23.78159      23.79225 
1 1 1 -10 14 23 o 28.29242 12.36337 -2.268698      113.1777 140.3635       257.0836 -36.55749      126.0497 45.84041 19.29515 27.89666 12.56477 17.94375       23.02555 
1 1 1 -10 14 24 o 104.6652 7.433962 977.2598       132.0051 1089.141       235.7961 926.1899       159.3092 105.7747 13.35171 100.6236 9.379348 5.151062       16.31687 
1 1 1 -10 14 25 o 47.21630 12.78255 224.4725       105.5914 -58.57497      257.4467 281.7171       115.7777 37.01764 17.14889 52.86961 12.93085 -15.85197      21.47769 
1 1 1 -10 14 26 o 23.98238 11.11276 -59.90982      108.2020 -240.2767      204.6332 10.08961       127.4809 27.84333 13.53958 29.56271 13.01453 -1.719381      18.78027 
1 1 1 -10 14 27 o 54.30267 12.94035 308.6784       118.2928 494.3055       213.7319 226.7071       142.0298 62.85836 18.60234 45.13176 15.38099 17.72660       24.13757 
1 1 1 -10 14 28 o 77.07146 9.177606 566.6103       118.4132 820.7324       265.3539 503.4225       132.3185 79.31504 19.68429 70.75481 11.33380 8.560234       22.71401 
1 1 1 -10 14 29 o 48.70737 12.80970 259.6024       107.9678 224.9897       261.0562 266.7445       118.5850 42.77778 18.73286 48.58386 13.70092 -5.806080      23.20852 
1 1 1 -10 15 1  o 174.9201 8.082984 2644.805       241.4422 0.000000       0.000000 2644.805       241.4422 ?        ?        174.9201 8.082984 0.000000       8.082984 
1 1 1 -10 15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 8  f 270.1349 6.887576 6290.092       317.7232 6323.988       481.8488 6264.018       422.6130 269.1929 10.48203 268.5739 9.214613 0.6189880      13.95643 
1 1 1 -10 15 9  o 151.6641 4.036167 1970.603       104.5331 1890.341       154.7128 2038.022       141.7948 148.2217 6.112410 154.0340 5.390657 -5.812332      8.149892 
1 1 1 -10 15 10 o 136.4075 4.012945 1594.215       93.47668 1663.023       134.6157 1530.142       129.9022 139.0819 5.667913 133.4042 5.702236 5.677734       8.039947 
1 1 1 -10 15 11 o 346.1808 5.317819 10296.96       314.3681 10106.65       447.7465 10481.98       441.4868 341.8110 7.670863 348.2430 7.423922 -6.431976      10.67505 
1 1 1 -10 15 12 o 99.72213 4.232336 852.5895       72.07317 823.3494       98.07485 886.9214       106.2716 97.63278 5.910324 101.2932 6.173229 -3.660454      8.546384 
1 1 1 -10 15 13 o 136.9444 4.028694 1607.571       94.21291 1779.292       134.0092 1439.750       132.4784 143.8376 5.455823 129.2902 6.000362 14.54736       8.109893 
1 1 1 -10 15 14 o 68.60073 5.554173 407.7235       64.50697 391.8405       72.56782 467.5380       140.8256 67.07890 6.413299 71.80227 11.90215 -4.723373      13.52004 
1 1 1 -10 15 15 o 109.2167 4.722719 1025.241       88.08114 947.1541       101.4704 1263.944       177.4108 104.6673 5.698567 120.0232 8.715364 -15.35591      10.41303 
1 1 1 -10 15 16 o 112.2907 5.138816 1086.279       98.53911 1169.129       116.9360 883.3388       183.0147 116.1820 5.913507 99.16609 10.99231 17.01588       12.48201 
1 1 1 -10 15 17 o 66.95604 6.310193 392.0279       71.29866 408.5015       80.94127 334.9814       150.6225 68.16349 7.055868 59.01297 14.93398 9.150520       16.51693 
1 1 1 -10 15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 20 o 86.12303 8.659449 665.1859       125.6276 627.1842       212.5464 685.5900       155.7442 79.11803 16.27486 86.33755 10.79982 -7.219521      19.53221 
1 1 1 -10 15 21 o 91.26369 8.558569 749.2613       131.8252 424.2985       235.4347 897.6695       159.1045 62.13420 19.73978 99.39879 9.488702 -37.26458      21.90192 
1 1 1 -10 15 22 o 74.08387 11.81969 523.2861       144.5057 451.9776       269.4921 552.0634       171.1988 62.18201 21.18694 74.68674 13.93577 -12.50473      25.35926 
1 1 1 -10 15 23 o 114.9937 7.102001 1178.542       138.7796 1310.157       244.3683 1115.884       168.6082 116.3981 12.48930 110.4856 9.015160 5.912476       15.40310 
1 1 1 -10 15 24 o 16.41232 8.149996 -195.0115      87.85982 -13.96959      203.7774 -236.3512      97.37561 34.68496 15.76352 16.72041 8.347497 17.96455       17.83730 
1 1 1 -10 15 25 o 60.19414 10.82509 355.1094       107.1814 129.8950       216.8688 427.8984       123.2912 40.58018 17.42293 65.76581 11.39076 -25.18562      20.81604 
1 1 1 -10 15 26 o 114.9409 7.743609 1211.730       151.1063 1786.951       285.8003 988.5470       178.0232 132.1804 12.82307 100.9471 10.47989 31.23325       16.56077 
1 1 1 -10 15 27 o 83.01138 8.392729 648.4222       117.3371 825.0989       227.2290 584.1813       137.0188 83.93207 16.44197 76.57191 10.77693 7.360153       19.65911 
1 1 1 -10 16 1  o 299.3393 5.463746 7703.858       279.2905 7660.566       483.0832 7725.593       342.2944 296.4055 9.544074 299.2421 6.698464 -2.836609      11.66014 
1 1 1 -10 16 2  o 116.4393 4.399714 1162.732       87.48349 1311.481       144.1550 1076.009       110.0698 123.0869 6.885905 111.6873 5.791023 11.39958       8.997313 
1 1 1 -10 16 3  o 140.9071 4.348916 1702.477       104.6444 1811.949       178.4210 1645.074       129.1990 144.8306 7.214128 138.3410 5.468977 6.489548       9.052810 
1 1 1 -10 16 4  o 165.9492 4.249362 2360.930       120.4206 2254.477       185.3754 2438.647       158.3913 161.6759 6.714366 168.4270 5.507033 -6.751129      8.683901 
1 1 1 -10 16 5  o 128.5397 4.251561 1416.525       93.32280 1368.790       140.2651 1454.439       125.0058 125.8374 6.549998 130.0488 5.628878 -4.211365      8.636362 
1 1 1 -10 16 6  o 154.5621 4.255120 2048.271       112.3096 2046.496       171.5053 2049.604       148.6044 154.0643 6.518890 154.3702 5.637235 -0.3059235     8.618257 
1 1 1 -10 16 7  o 207.3481 8.135910 3728.470       288.0767 0.000000       0.000000 3728.470       288.0767 ?        ?        207.3481 8.135910 0.000000       8.135910 
1 1 1 -10 16 8  o 129.2859 4.932855 1435.722       108.9059 1451.634       133.6008 1404.208       188.0161 129.8098 6.026976 126.7705 8.738472 3.039383       10.61533 
1 1 1 -10 16 9  o 31.30321 9.547132 86.12907       55.67569 98.73367       70.32690 64.96461       91.12983 33.77605 10.79484 31.75521 12.10618 2.020849       16.22000 
1 1 1 -10 16 10 o 36.07945 8.299654 117.6415       50.07078 95.50449       65.78294 148.1303       77.20132 33.08750 10.42608 40.31886 10.93600 -7.231361      15.10958 
1 1 1 -10 16 11 o 203.3271 4.210266 3548.239       146.1863 3544.865       209.5422 3551.438       204.0447 202.6718 6.054470 202.9180 5.888476 -0.2461395     8.445753 
1 1 1 -10 16 12 o 108.2869 4.311507 1007.162       79.72724 988.6114       109.2269 1028.316       116.6406 106.8239 6.012133 108.8784 6.300369 -2.054527      8.708639 
1 1 1 -10 16 13 o 32.44233 8.131568 95.49105       44.96160 105.5847       54.38168 73.68701       79.92781 34.07799 9.151482 31.35318 11.45811 2.724810       14.66417 
1 1 1 -10 16 14 o 67.82231 5.925678 401.0634       67.94071 447.4986       84.32920 315.1711       114.6916 71.38712 7.007960 58.21529 11.93769 13.17183       13.84269 
1 1 1 -10 16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 16 17 o 50.22023 8.044166 227.4246       66.65757 244.7848       72.68467 135.5782       167.1847 51.99778 8.477869 42.05785 16.30302 9.939926       18.37560 
1 1 1 -10 16 18 o 27.01414 9.481198 59.49622       54.12331 15.92379       59.57073 265.5835       129.5545 22.65414 9.392949 51.92485 14.20143 -29.27071      17.02669 
1 1 1 -10 16 19 o 118.4183 4.721524 1214.237       95.47789 1187.467       113.3856 1279.481       177.0149 116.7393 5.687727 119.2788 8.751585 -2.539490      10.43746 
1 1 1 -10 16 20 o 25.01365 11.68324 -90.65628      123.3734 -101.3525      217.5500 -85.58553      149.7892 33.72952 15.67360 28.18447 13.06526 5.545050       20.40497 
1 1 1 -10 16 21 o 29.47810 12.35560 35.28717       104.6952 -92.80632      188.1617 92.72694       126.0010 31.26503 14.54440 35.39962 14.02378 -4.134592      20.20411 
1 1 1 -10 16 22 o 47.33290 12.52710 226.3714       102.8348 -115.7655      219.1826 322.9413       116.4467 32.51705 15.30962 56.84610 12.34894 -24.32904      19.66928 
1 1 1 -10 16 23 o 65.28740 11.96623 425.8841       128.4936 520.3669       268.5708 397.8370       146.3275 61.98343 21.15054 61.17414 14.26907 0.8092842      25.51376 
1 1 1 -10 16 24 o 27.36682 11.64652 28.75034       95.37392 122.7089       211.9896 4.905926       106.7922 39.70060 17.13678 26.98028 11.89310 12.72032       20.85941 
1 1 1 -10 16 25 o 78.04972 10.38610 596.9639       134.9918 529.2565       274.9150 618.4757       154.9596 59.18991 21.30668 77.82417 12.04952 -18.63426      24.47786 
1 1 1 -10 16 26 o 50.07051 12.32887 268.4781       104.7151 587.4979       220.1553 175.2023       119.0433 66.26274 18.66163 39.68805 14.04871 26.57470       23.35857 
1 1 1 -10 17 1  o 119.7361 4.368056 1232.272       89.31313 1123.251       145.9666 1297.515       112.9180 113.3249 7.586502 122.6527 5.391187 -9.327805      9.306982 
1 1 1 -10 17 2  o 46.00600 7.436072 188.5217       56.42690 53.28404       84.45260 297.5818       75.83978 29.78343 11.57538 57.93196 7.869844 -28.14853      13.99728 
1 1 1 -10 17 3  o 69.72348 5.048166 420.7606       59.69882 457.0966       92.11867 394.4496       78.38754 72.09650 7.596570 67.08689 6.942859 5.009613       10.29131 
1 1 1 -10 17 4  o 66.20030 5.513764 380.5247       61.76502 293.8487       87.56519 466.3496       87.13426 57.17599 9.287109 72.96896 7.081946 -15.79298      11.67923 
1 1 1 -10 17 5  o 105.7933 4.489659 962.1234       81.10979 797.0316       124.3927 1084.230       106.9797 95.37467 7.703402 112.0983 5.588567 -16.72360      9.517063 
1 1 1 -10 17 6  o 82.47179 5.020899 587.8875       70.37463 632.9332       104.4011 550.3740       95.27348 85.03759 7.258924 79.29794 7.111279 5.739655       10.16180 
1 1 1 -10 17 7  o 102.2463 4.487525 899.0041       78.35313 842.8700       117.0664 944.5565       105.4568 98.26177 7.022912 104.3635 5.941887 -6.101776      9.199310 
1 1 1 -10 17 8  o 127.0551 4.981212 1390.984       108.0759 1003.909       246.3558 1483.233       120.2669 103.8523 14.26835 131.1034 5.371925 -27.25114      15.24610 
1 1 1 -10 17 9  o 102.4498 7.245758 918.6503       125.9467 918.6503       125.9467 0.000000       0.000000 102.4498 7.245758 ?        ?        0.000000       7.245758 
1 1 1 -10 17 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 17 13 o 38.82445 9.951213 139.8225       66.28095 205.2777       81.61938 13.06567       113.5813 46.97283 10.44545 29.65585 12.66729 17.31699       16.41852 
1 1 1 -10 17 14 o 30.76487 9.672601 84.53310       56.65211 73.36320       73.22818 101.1847       89.40914 30.43090 10.99073 34.60157 12.18300 -4.170662      16.40798 
1 1 1 -10 17 15 o 67.90586 6.684991 407.2518       76.51429 391.2459       86.06068 467.6288       167.1479 66.16666 7.764225 68.93301 14.65096 -2.766350      16.58113 
1 1 1 -10 17 16 o 48.03017 8.548456 211.1196       67.54397 198.3260       78.54491 247.4376       132.3370 45.92216 10.27302 49.88049 14.60288 -3.958332      17.85439 
1 1 1 -10 17 17 o 76.48454 5.778013 513.3622       74.90966 507.4580       83.42693 537.9297       170.1780 75.76682 6.511264 73.83532 14.00952 1.931496       15.44873 
1 1 1 -10 17 18 o 87.10101 5.119048 662.3212       75.80554 633.3987       87.86562 746.5219       149.9197 84.77750 6.110233 89.89071 9.932498 -5.113205      11.66145 
1 1 1 -10 17 19 o 36.94197 13.57696 122.1851       112.4481 58.64021       163.6703 178.9958       154.7551 35.67221 15.22077 42.96178 15.90311 -7.289570      22.01320 
1 1 1 -10 17 20 o 24.06626 10.81558 -23.04937      92.79378 99.65377       158.2479 -87.34932      114.5554 37.20248 15.35763 23.68820 11.12605 13.51428       18.96433 
1 1 1 -10 17 21 o 34.61944 13.21850 105.3518       108.7500 188.8772       192.3410 66.10356       131.8477 43.16377 17.25369 33.11366 13.87178 10.05011       22.13857 
1 1 1 -10 17 22 o 38.14660 13.03169 147.8114       101.9582 672.6843       247.2684 40.29002       111.9152 73.00311 19.47496 29.69830 12.62689 43.30480       23.21018 
1 1 1 -10 17 23 o 31.61349 13.04117 70.22471       114.0006 -41.24119      217.0553 112.6854       133.9655 33.24779 15.51826 35.65609 14.34735 -2.408306      21.13440 
1 1 1 -10 17 24 o 32.36580 12.72024 93.46632       102.8993 149.5364       268.5283 83.81593       111.4030 40.59875 18.30751 32.03016 13.01443 8.568584       22.46198 
1 1 1 -10 18 1  o 175.4235 4.375052 2651.192       131.0608 2621.472       227.9815 2665.862       160.1738 172.8116 7.725467 175.5233 5.343857 -2.711639      9.393596 
1 1 1 -10 18 2  o 102.2917 4.601654 902.1656       80.38152 935.7169       136.1083 884.1969       99.60703 102.9772 7.797853 100.8186 5.810195 2.158569       9.724447 
1 1 1 -10 18 3  o 73.23893 5.108796 465.6545       63.49414 454.7227       96.37365 474.0390       84.40123 71.51627 8.030128 73.43819 6.807556 -1.921913      10.52738 
1 1 1 -10 18 4  o 27.05392 9.338470 59.95010       52.40150 90.20886       82.50386 39.48996       67.84269 33.11392 11.69835 26.29680 10.33064 6.817120       15.60685 
1 1 1 -10 18 5  o 38.36813 8.467981 134.6271       53.99612 108.4231       84.85680 152.4563       69.99532 35.26778 11.88944 40.53051 10.13866 -5.262730      15.62533 
1 1 1 -10 18 6  o 49.45257 6.722809 216.8896       55.30141 112.1076       84.88565 294.1560       72.89307 35.66668 11.89153 57.45548 7.617169 -21.78880      14.12196 
1 1 1 -10 18 7  o 27.84202 9.374755 65.48167       52.75684 173.5493       73.95937 -46.47078      75.27697 43.20385 10.18995 20.64693 9.458574 22.55693       13.90322 
1 1 1 -10 18 8  o 110.2606 4.135262 1046.885       77.86194 948.2073       118.5250 1121.798       103.2711 104.0197 6.708323 113.8248 5.312999 -9.805092      8.557427 
1 1 1 -10 18 9  o 117.8840 4.140845 1197.110       83.35774 1095.412       121.8534 1286.562       114.2819 111.9097 6.402873 121.8007 5.494470 -9.890938      8.437178 
1 1 1 -10 18 10 o 90.19040 6.029401 711.2488       92.32663 640.5260       110.2336 877.4516       168.9869 84.94414 7.682527 98.17356 10.23018 -13.22942      12.79366 
1 1 1 -10 18 11 o 54.73397 8.660366 272.3947       78.25217 313.6299       104.1058 218.8380       118.6447 57.86702 10.93590 47.38972 13.81342 10.47730       17.61830 
1 1 1 -10 18 12 o 73.37595 5.536932 470.7154       68.86749 485.3922       94.56110 454.1382       100.4963 73.76624 7.616390 70.97826 8.457858 2.787979       11.38177 
1 1 1 -10 18 13 o 35.93901 9.306880 120.6588       57.57074 120.2012       71.34900 121.5127       97.46143 35.86130 10.77893 36.79445 12.73364 -0.9331512     16.68325 
1 1 1 -10 18 14 f 96.46410 4.675339 806.3823       77.01597 852.7352       103.2643 748.2807       115.6128 98.48441 6.171347 91.62398 7.453768 6.860428       9.676991 
1 1 1 -10 18 15 o 25.44794 9.892423 41.87242       61.69028 -24.81358      77.93254 153.7814       100.9564 22.13202 9.931514 39.97751 12.95025 -17.84549      16.32005 
1 1 1 -10 18 16 o 101.1984 4.945032 891.8181       85.45638 796.6998       102.1131 1114.149       156.1170 94.86623 6.339804 110.9035 8.303603 -16.03723      10.44715 
1 1 1 -10 18 17 o 59.79886 6.728475 321.1807       67.51519 295.3893       77.91632 398.9019       135.2572 56.60445 8.307997 62.93631 13.01481 -6.331856      15.44047 
1 1 1 -10 18 18 o 38.95489 10.47800 148.7118       71.22166 190.8448       81.28873 9.510272       147.7546 43.96574 10.88496 31.33089 13.89087 12.63485       17.64762 
1 1 1 -10 18 19 o 40.73381 12.28962 169.5526       92.62174 202.0403       167.1064 155.1461       111.2790 43.44447 16.43383 39.10468 13.60222 4.339787       21.33286 
1 1 1 -10 18 20 o 26.80784 11.68638 12.55456       100.5792 47.70575       160.6720 -10.09584      128.9758 33.65664 14.71852 28.33106 12.73983 5.325583       19.46633 
1 1 1 -10 18 21 o 35.39714 12.38239 125.7455       92.27758 155.7157       165.7710 112.2890       111.0785 39.36831 15.91803 34.64479 13.32808 4.723518       20.76105 
1 1 1 -10 18 22 o 45.34297 12.57888 222.0901       100.8176 26.34004       199.3541 289.3580       116.8632 33.91565 15.48237 51.35684 13.24064 -17.44119      20.37200 
1 1 1 -10 19 1  o 63.70194 5.585106 355.7815       60.14219 393.6038       107.5316 338.5644       72.55078 65.29312 9.959512 61.66693 7.014308 3.626190       12.18164 
1 1 1 -10 19 2  o 102.4397 4.451606 907.0204       77.87302 755.2537       136.0383 980.9900       94.97283 91.50909 8.814553 106.2888 5.232506 -14.77975      10.25063 
1 1 1 -10 19 3  o 48.80511 7.028637 213.4376       56.88914 144.9598       91.61252 256.4164       72.57841 39.22971 12.29473 53.14246 8.266353 -13.91275      14.81529 
1 1 1 -10 19 4  o 105.8159 4.344897 967.2191       78.51136 1032.406       121.1749 920.0540       103.0725 108.3335 6.581274 102.5417 5.911324 5.791718       8.846294 
1 1 1 -10 19 5  o 49.72826 6.991071 221.4011       57.72797 272.6070       87.65844 182.1859       76.71165 54.18919 9.835034 43.92629 10.38954 10.26290       14.30631 
1 1 1 -10 19 6  o 73.33495 5.195158 469.2592       64.63857 456.1271       98.10172 479.3344       85.92854 71.16922 8.223438 73.52062 6.925881 -2.351402      10.75141 
1 1 1 -10 19 7  o 117.2952 4.121378 1187.631       82.55143 1067.113       124.3581 1282.577       110.3788 110.0469 6.648730 121.4536 5.321981 -11.40674      8.516401 
1 1 1 -10 19 8  o 84.16508 4.812929 616.0477       68.88692 578.4182       108.1314 641.7520       89.36966 80.27365 7.994532 85.41704 6.168428 -5.143387      10.09763 
1 1 1 -10 19 9  o 26.36342 9.858799 51.18375       59.77327 -34.20740      86.89849 127.8682       82.34920 22.94555 10.37453 36.90088 11.66928 -13.95533      15.61419 
1 1 1 -10 19 10 o 153.8175 4.010783 2043.622       105.3505 1992.238       150.8685 2092.521       147.1764 150.8944 5.854955 154.8253 5.566655 -3.930939      8.078870 
1 1 1 -10 19 11 o 24.61718 10.06992 27.26561       67.26323 44.66492       76.64737 -31.02524      140.2915 27.36997 10.90767 29.37263 13.24015 -2.002657      17.15455 
1 1 1 -10 19 12 o 48.04270 7.932358 211.7459       62.80624 198.7482       80.46507 232.0112       100.4730 45.42010 10.57231 48.40189 12.16883 -2.981789      16.11999 
1 1 1 -10 19 13 o 28.86974 10.43412 69.73740       66.01553 107.1892       76.51731 -39.30304      130.5620 33.88021 11.28989 27.72046 12.60583 6.159752       16.92243 
1 1 1 -10 19 14 f 34.99328 9.361378 117.1394       57.03443 84.79507       72.84286 168.3843       91.68811 30.95444 10.98603 41.00212 12.19539 -10.04768      16.41403 
1 1 1 -10 19 15 o 40.92120 9.158556 160.1475       62.40258 104.1913       74.69884 289.4000       113.5296 33.20125 11.15532 53.19933 12.67696 -19.99807      16.88628 
1 1 1 -10 19 16 o 43.68762 9.563787 184.3808       69.37045 224.6638       79.96481 61.85332       139.4616 48.06580 10.06493 33.29897 14.12416 14.76684       17.34343 
1 1 1 -10 19 17 o 28.57821 10.13781 72.42495       62.02172 129.6149       87.48587 14.63999       87.93980 36.13115 12.07274 25.61499 11.04707 10.51616       16.36426 
1 1 1 -10 19 18 o 47.30151 8.093233 210.5601       63.02313 293.5381       83.61929 101.4370       95.89226 55.36212 9.165553 33.22142 12.47459 22.14070       15.47976 
1 1 1 -10 19 19 o 31.95734 12.93799 81.92696       109.6629 263.7839       201.1548 5.020749       130.8116 45.70755 17.83668 28.76657 12.89078 16.94098       22.00725 
1 1 1 -10 19 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 20 1  o 21.63426 8.891657 19.01180       52.75364 -59.57698      91.42602 58.23658       64.59067 21.98708 10.19767 27.40576 10.24842 -5.418674      14.45762 
1 1 1 -10 20 2  o 38.89783 8.226468 141.2496       52.93661 236.6810       81.27524 70.93687       69.76371 49.86947 9.893087 29.29165 10.70480 20.57782       14.57621 
1 1 1 -10 20 3  o 83.90163 4.840480 615.1512       69.05779 597.1955       112.4351 626.0281       87.50915 80.93623 8.250354 84.06427 6.138367 -3.128044      10.28338 
1 1 1 -10 20 4  o 32.58468 9.316501 100.2696       54.44347 102.8508       83.53985 98.36384       71.78054 33.65747 11.78114 32.66269 10.93544 0.9947815      16.07417 
1 1 1 -10 20 5  o 86.37466 4.846400 652.0007       71.19502 682.3079       110.3835 630.4122       93.16276 87.00175 7.503131 84.14386 6.534889 2.857895       9.949963 
1 1 1 -10 20 6  o 57.45700 6.551890 295.9124       63.13566 247.1553       99.16656 329.1468       81.87290 49.94162 11.81293 59.86106 8.226758 -9.919441      14.39531 
1 1 1 -10 20 7  o 122.4284 4.309211 1301.336       90.09109 1276.852       130.1823 1323.839       124.8040 119.9438 6.378755 122.5572 5.963313 -2.613388      8.732102 
1 1 1 -10 20 8  o 44.08913 9.327207 184.9117       68.03179 217.9850       98.95204 155.2643       93.68671 46.50958 12.27837 39.51973 12.44087 6.989853       17.47952 
1 1 1 -10 20 9  o 128.2826 4.303531 1430.036       94.27455 1329.858       133.3156 1530.240       133.3331 122.2706 6.407232 131.6734 5.929773 -9.402756      8.730110 
1 1 1 -10 20 10 o 25.57393 9.760484 48.03629       59.27750 -21.37062      76.82844 150.1315       93.18012 21.90293 9.842512 38.77805 12.42898 -16.87512      15.85417 
1 1 1 -10 20 11 o 118.8548 4.467426 1230.823       90.67262 1297.876       131.5177 1170.079       125.1780 120.6309 6.407430 114.5075 6.427643 6.123444       9.075778 
1 1 1 -10 20 12 o 83.87837 5.710613 623.9412       81.30962 553.0414       99.05341 770.4064       142.3687 77.87860 7.542686 90.56438 9.339705 -12.68578      12.00509 
1 1 1 -10 20 13 o 58.31990 6.553151 307.2785       64.13338 268.1925       85.88157 356.5541       96.42850 52.65232 9.915489 61.12736 9.550183 -8.475033      13.76673 
1 1 1 -10 20 14 o 40.63377 8.703979 158.1413       58.57663 138.1738       78.85308 182.7279       87.49975 37.03863 11.37362 42.21151 11.72167 -5.172874      16.33269 
1 1 1 -10 20 15 o 37.53707 10.55307 141.6383       70.46664 96.69276       78.00415 341.0658       164.3111 31.96245 11.36592 53.37185 16.42291 -21.40939      19.97238 
1 1 1 -10 20 16 o 22.84318 9.774369 13.98114       67.84000 26.12201       88.40853 -3.404960      105.7963 26.13517 11.16992 26.03053 11.63386 0.1046391      16.12804 
1 1 1 -10 21 1  o 24.12079 9.444715 39.02708       56.54678 116.1362       78.44219 -44.39288      81.58904 34.51686 11.42763 21.11783 9.737554 13.39903       15.01368 
1 1 1 -10 21 2  o 24.83403 9.764676 41.22697       60.66335 -36.49772      92.67345 99.50140       80.24443 23.07245 10.54165 32.66804 11.53747 -9.595589      15.62817 
1 1 1 -10 21 3  o 15.24158 7.135096 -40.65891      46.45129 74.73077       66.62042 -149.8334      64.80142 29.17345 10.49003 13.97821 6.950989 15.19524       12.58400 
1 1 1 -10 21 4  o 70.76251 5.592064 444.5522       67.02303 246.5195       114.3854 548.0889       82.70834 48.27380 13.40096 78.25877 6.240805 -29.98497      14.78288 
1 1 1 -10 21 5  o 21.29808 9.135096 6.793483       59.51183 -47.14076      93.31847 43.76436       77.26186 22.59059 10.41572 26.81762 10.85884 -4.227032      15.04665 
1 1 1 -10 21 6  o 70.81266 6.052564 448.4592       72.48696 399.7336       105.4253 492.1480       99.82766 64.49403 9.887836 72.91048 8.157677 -8.416451      12.81862 
1 1 1 -10 21 7  o 37.39898 10.29568 138.4260       67.83276 44.27295       103.3442 209.6949       89.91224 29.20859 12.26081 45.39276 11.56615 -16.18417      16.85537 
1 1 1 -10 21 8  o 51.02283 7.940250 242.8867       66.93338 184.1029       92.91492 306.2986       96.50323 42.14279 12.20702 55.78364 10.51625 -13.64085      16.11219 
1 1 1 -10 21 9  o 25.04776 10.04554 39.60308       65.43858 8.482699       90.11018 74.32861       95.18660 25.29620 11.04349 30.77744 12.19013 -5.481241      16.44864 
1 1 1 -10 21 10 o 103.3143 4.730790 936.9614       83.46339 783.3159       121.9436 1072.374       114.4798 92.04746 7.832371 109.3507 6.155670 -17.30327      9.961842 
1 1 1 -10 21 11 f 35.87495 9.261173 126.3841       57.12432 142.9401       76.94807 106.0571       85.26211 37.39781 11.18331 33.11052 11.87133 4.287292       16.30935 
1 1 1 -10 21 12 o 21.85103 9.434659 7.626582       64.29163 -36.76940      235.7315 11.19426       66.82497 34.01527 15.97135 22.48858 9.663863 11.52669       18.66747 
1 1 1 -9  0  1  o 53.14314 7.519520 255.6231       64.30065 255.6231       64.30065 255.6231       64.30065 53.14314 7.519520 53.14314 7.519520 0.000000       0.000000 
1 1 1 -9  0  2  f 116.4966 13.63222 1212.505       261.4852 1212.505       261.4852 1212.505       261.4852 116.4966 13.63222 116.4966 13.63222 0.000000       0.000000 
1 1 1 -9  0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  9  o 290.8589 31.11055 7665.857       1500.636 7665.857       1500.636 7665.857       1500.636 290.8589 31.11055 290.8589 31.11055 -0.000000      0.000000 
1 1 1 -9  0  10 o 221.1933 25.93938 4412.038       944.5411 4412.038       944.5411 4412.038       944.5411 221.1933 25.93938 221.1933 25.93938 0.000000       0.000000 
1 1 1 -9  0  11 o 310.2905 9.034519 8255.182       477.7950 8255.182       477.7950 8255.182       477.7950 310.2905 9.034519 310.2905 9.034519 -0.000000      0.000000 
1 1 1 -9  0  12 o 99.45606 6.695958 856.6387       112.5392 856.6387       112.5392 856.6387       112.5392 99.45606 6.695958 99.45606 6.695958 -0.000000      0.000000 
1 1 1 -9  0  13 o 63.65602 6.442129 356.7177       68.38355 356.7177       68.38355 356.7177       68.38355 63.65602 6.442129 63.65602 6.442129 -0.000000      0.000000 
1 1 1 -9  0  14 o 13.71351 8.818925 0.3991498      47.31627 0.3991498      47.31627 0.3991498      47.31627 13.71351 8.818925 13.71351 8.818925 0.000000       0.000000 
1 1 1 -9  0  15 o 259.6436 5.731927 5767.862       253.8646 5767.862       253.8646 5767.862       253.8646 259.6436 5.731927 259.6436 5.731927 -0.000000      0.000000 
1 1 1 -9  0  16 f 424.1539 7.515035 15392.26       543.9374 15392.26       543.9374 15392.26       543.9374 424.1539 7.515035 424.1539 7.515035 0.000000       0.000000 
1 1 1 -9  0  17 o 378.3200 8.011059 12254.05       517.0248 12254.05       517.0248 12254.05       517.0248 378.3200 8.011059 378.3200 8.011059 -0.000000      0.000000 
1 1 1 -9  0  18 o 336.2267 7.555329 9681.397       433.3035 9681.397       433.3035 9681.397       433.3035 336.2267 7.555329 336.2267 7.555329 -0.000000      0.000000 
1 1 1 -9  0  19 o 253.0755 5.342567 5480.974       230.6562 5480.974       230.6562 5480.974       230.6562 253.0755 5.342567 253.0755 5.342567 -0.000000      0.000000 
1 1 1 -9  0  20 f 79.60169 6.748622 553.5750       90.21892 553.5750       90.21892 553.5750       90.21892 79.60169 6.748622 79.60169 6.748622 0.000000       0.000000 
1 1 1 -9  0  21 o 123.1847 6.255055 1308.222       130.8058 1308.222       130.8058 1308.222       130.8058 123.1847 6.255055 123.1847 6.255055 0.000000       0.000000 
1 1 1 -9  0  22 o 58.02510 11.89760 323.1791       104.1904 323.1791       104.1904 323.1791       104.1904 58.02510 11.89760 58.02510 11.89760 0.000000       0.000000 
1 1 1 -9  0  23 o 173.5842 7.567374 2597.962       223.3445 2597.962       223.3445 2597.962       223.3445 173.5842 7.567374 173.5842 7.567374 0.000000       0.000000 
1 1 1 -9  0  24 o 57.83935 11.01634 317.1976       97.34293 317.1976       97.34293 317.1976       97.34293 57.83935 11.01634 57.83935 11.01634 -0.000000      0.000000 
1 1 1 -9  0  25 o 160.1000 17.66088 2328.428       467.8458 2328.428       467.8458 2328.428       467.8458 160.1000 17.66088 160.1000 17.66088 -0.000000      0.000000 
1 1 1 -9  0  26 o 40.79189 20.10755 217.6273       167.5818 217.6273       167.5818 217.6273       167.5818 40.79189 20.10755 40.79189 20.10755 -0.000000      0.000000 
1 1 1 -9  0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  28 o 28.62716 16.08329 98.13533       118.9995 98.13533       118.9995 98.13533       118.9995 28.62716 16.08329 28.62716 16.08329 -0.000000      0.000000 
1 1 1 -9  0  29 o 83.19716 9.471843 620.9836       130.0633 620.9836       130.0633 620.9836       130.0633 83.19716 9.471843 83.19716 9.471843 -0.000000      0.000000 
1 1 1 -9  0  30 o 22.80170 13.67877 49.74686       95.57529 49.74686       95.57529 49.74686       95.57529 22.80170 13.67877 22.80170 13.67877 -0.000000      0.000000 
1 1 1 -9  0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  32 o 129.6071 6.295816 1461.571       138.5925 1461.571       138.5925 1461.571       138.5925 129.6071 6.295816 129.6071 6.295816 0.000000       0.000000 
1 1 1 -9  0  33 o 50.91389 13.85873 276.8114       104.1614 276.8114       104.1614 276.8114       104.1614 50.91389 13.85873 50.91389 13.85873 -0.000000      0.000000 
1 1 1 -9  0  34 o 81.57554 7.259991 594.9922       99.29182 594.9922       99.29182 594.9922       99.29182 81.57554 7.259991 81.57554 7.259991 0.000000       0.000000 
1 1 1 -9  0  35 o 24.85983 13.76389 84.31592       85.65607 84.31592       85.65607 84.31592       85.65607 24.85983 13.76389 24.85983 13.76389 0.000000       0.000000 
1 1 1 -9  0  36 o 25.67429 14.62163 91.75601       100.1482 91.75601       100.1482 91.75601       100.1482 25.67429 14.62163 25.67429 14.62163 0.000000       0.000000 
1 1 1 -9  1  1  o 121.4701 5.586120 1262.415       115.8728 1237.375       126.3353 1395.083       290.7993 120.0737 6.182320 126.3330 13.69903 -6.259262      15.02945 
1 1 1 -9  1  2  o 238.1619 7.505517 4861.618       305.2494 4736.751       330.1736 5596.252       800.8568 234.9929 8.227839 252.3741 18.71602 -17.38124      20.44473 
1 1 1 -9  1  3  o 248.0391 27.52481 5586.675       1146.200 0.000000       0.000000 5586.675       1146.200 ?        ?        248.0391 27.52481 0.000000       27.52481 
1 1 1 -9  1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  1  8  o 360.2585 37.34896 12174.45       2264.323 0.000000       0.000000 12174.45       2264.323 ?        ?        360.2585 37.34896 0.000000       37.34896 
1 1 1 -9  1  9  o 253.6552 27.73634 5795.146       1181.841 0.000000       0.000000 5795.146       1181.841 ?        ?        253.6552 27.73634 0.000000       27.73634 
1 1 1 -9  1  10 o 200.1376 7.183428 3428.491       245.5062 3424.634       784.6090 3428.909       258.4860 196.2758 23.90270 200.1230 7.563767 -3.847198      25.07089 
1 1 1 -9  1  11 o 336.0336 9.329599 9674.420       535.3621 10447.50       1370.451 9535.197       581.5736 345.3604 23.37512 333.4940 10.21209 11.86633       25.50849 
1 1 1 -9  1  12 o 63.47707 5.814296 347.3168       62.32517 428.8515       97.18127 290.3513       81.23019 70.31077 8.250756 57.62762 8.510468 12.68315       11.85340 
1 1 1 -9  1  13 o 319.1009 5.935663 8704.078       323.4441 8615.383       400.6737 8870.001       548.0162 317.3713 7.393011 321.7941 9.972713 -4.422852      12.41417 
1 1 1 -9  1  14 o 540.5229 8.834294 25011.26       815.4323 25120.62       999.2177 24793.22       1410.900 541.3522 10.80882 536.7371 15.39333 4.615173       18.80918 
1 1 1 -9  1  15 o 179.0473 3.477393 2738.396       106.3221 2625.820       133.4070 2934.389       176.0264 175.3039 4.456410 185.2813 5.563453 -9.977325      7.128226 
1 1 1 -9  1  16 o 524.5281 8.751946 23561.95       783.9264 20885.70       1106.422 26259.76       1110.870 492.9162 13.14455 553.0766 11.76186 -60.16043      17.63861 
1 1 1 -9  1  17 o 470.6257 6.324056 18944.77       508.2452 17736.05       726.4246 20103.84       711.3471 454.8893 9.351535 484.4464 8.598722 -29.55716      12.70391 
1 1 1 -9  1  18 o 261.3107 4.196360 5835.695       187.2543 6018.020       321.9709 5742.503       230.1882 265.1294 7.111426 259.1508 5.201498 5.978607       8.810674 
1 1 1 -9  1  19 o 325.0951 4.444913 9035.764       246.7605 9487.140       351.4572 8596.933       346.5389 332.9114 6.182182 316.8783 6.404092 16.03317       8.901223 
1 1 1 -9  1  20 o 83.81178 4.436473 602.4211       63.26970 603.6835       96.31996 601.4630       83.91165 83.65112 6.801739 83.60136 5.915896 0.4975891E-01  9.014515 
1 1 1 -9  1  21 o 215.8725 4.548853 3987.541       167.6877 4087.372       202.9173 3772.535       297.7903 218.4567 5.439410 209.4412 8.326192 9.015457       9.945484 
1 1 1 -9  1  22 o 121.1372 4.714757 1256.473       97.53009 1348.120       152.8026 1193.469       126.6940 125.0417 7.186273 117.7613 6.323294 7.280365       9.572177 
1 1 1 -9  1  23 o 75.64025 5.524545 493.2774       70.86586 436.0423       101.7797 547.1327       98.72884 70.57225 8.624986 79.40319 7.365056 -8.830940      11.34171 
1 1 1 -9  1  24 o 92.76635 5.596934 741.3376       88.24783 795.4430       138.6578 704.5003       114.4109 95.55060 8.589635 90.10133 7.504150 5.449272       11.40588 
1 1 1 -9  1  25 o 108.2730 5.313509 1006.380       98.24344 955.7524       122.8761 1096.093       163.5693 105.1037 6.884204 112.1915 8.603215 -7.087852      11.01851 
1 1 1 -9  1  26 o 221.4000 13.46557 4360.412       506.6831 4342.702       713.2650 4378.454       719.8974 216.2749 19.52317 217.0718 19.63321 -0.7968292     27.68785 
1 1 1 -9  1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  1  28 o 143.6862 4.562259 1771.851       111.9430 1704.330       156.3647 1842.843       160.3325 140.5491 6.514916 146.1700 6.423347 -5.620895      9.148963 
1 1 1 -9  1  29 o 162.2465 4.574523 2261.753       126.7427 2350.100       177.6208 2170.106       180.9069 164.9213 6.306890 158.3629 6.689591 6.558365       9.193883 
1 1 1 -9  1  30 o 134.9331 4.752302 1568.546       109.5026 1435.709       153.0223 1707.962       156.7656 128.2416 7.014116 140.2423 6.545909 -12.00069      9.594100 
1 1 1 -9  1  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  1  32 o 78.92626 5.975204 546.4570       79.93648 446.6093       106.8583 673.3270       120.4533 70.04089 9.153104 86.66862 8.237753 -16.62773      12.31421 
1 1 1 -9  1  33 o 114.9090 4.767043 1146.472       93.54163 1030.996       130.3707 1268.999       134.2922 107.6578 7.131801 119.8275 6.588147 -12.16970      9.709082 
1 1 1 -9  1  34 o 23.37747 9.661067 22.69870       62.72293 29.79874       92.83204 16.73477       85.08114 27.56617 11.59848 25.72255 10.97472 1.843616       15.96776 
1 1 1 -9  1  35 o 64.52188 7.046876 379.2081       76.38113 349.4949       105.9716 411.3342       110.1903 59.51944 10.82504 65.10390 10.25033 -5.584454      14.90808 
1 1 1 -9  1  36 o 66.69834 7.904525 415.5297       88.27930 583.5344       136.9575 296.1128       115.4670 76.57193 10.77186 52.44543 12.96618 24.12650       16.85689 
1 1 1 -9  2  1  f 189.6619 5.021873 3076.041       162.6476 3092.064       229.8698 3059.977       230.1675 190.0125 7.084317 189.0203 7.130724 0.9922180      10.05161 
1 1 1 -9  2  2  o 295.4954 6.010900 7473.057       303.3138 7488.041       428.2650 7457.977       429.6392 295.4455 8.488546 294.8445 8.533143 0.6010132      12.03619 
1 1 1 -9  2  3  o 92.59152 5.198530 735.6444       81.86406 747.2424       90.69848 684.6594       190.1652 93.27264 5.721989 88.12708 13.02909 5.145561       14.23019 
1 1 1 -9  2  4  o 466.4277 13.03236 18791.50       1038.029 18791.50       1038.029 0.000000       0.000000 466.4277 13.03236 ?        ?        0.000000       13.03236 
1 1 1 -9  2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  2  7  o 430.0616 27.07897 16592.39       1978.524 20656.91       2798.539 12530.68       2797.572 472.6728 34.91840 356.7407 47.07225 115.9320       58.60965 
1 1 1 -9  2  8  f 242.8095 7.905724 5052.562       327.8003 5395.097       1083.780 5018.071       343.9082 245.1606 26.29809 241.9307 8.324336 3.229889       27.58413 
1 1 1 -9  2  9  o 207.3162 7.115489 3679.233       251.9068 3672.596       805.3408 3679.953       265.2152 203.2733 23.64213 207.3076 7.491716 -4.034225      24.80073 
1 1 1 -9  2  10 o 118.4824 6.379892 1204.171       128.6074 1345.252       387.5428 1186.712       136.3333 123.1967 19.03478 117.5790 6.819294 5.617722       20.21944 
1 1 1 -9  2  11 o 315.1400 9.529456 8507.612       512.8302 9085.965       1783.817 8455.504       535.4343 318.3474 33.30616 314.1233 9.981691 4.224121       34.76974 
1 1 1 -9  2  12 o 261.5722 5.961563 5848.688       266.2892 6408.413       383.1643 5325.796       370.3426 273.6613 8.199166 249.4430 8.694215 24.21831       11.95055 
1 1 1 -9  2  13 o 93.60857 4.553507 748.6788       72.78864 755.5568       85.81135 731.0354       137.4377 93.87176 5.375484 91.99067 8.858554 1.881088       10.36194 
1 1 1 -9  2  14 o 438.5809 7.192435 16452.77       538.6760 15878.03       660.3798 17595.60       931.2144 430.6400 8.980022 452.8370 12.04220 -22.19696      15.02183 
1 1 1 -9  2  15 o 42.76675 8.283313 161.8945       58.30864 150.7077       68.28166 192.0205       112.0529 41.12068 9.852986 46.72543 13.36781 -5.604748      16.60662 
1 1 1 -9  2  16 o 196.2968 4.171084 3292.330       139.8183 3095.226       177.8879 3610.910       226.1564 190.2820 5.474528 205.4749 6.445375 -15.19284      8.456555 
1 1 1 -9  2  17 o 107.6727 4.403546 990.7628       80.96738 999.7442       107.5981 979.0376       122.9397 107.9643 5.858021 106.7547 6.778931 1.209633       8.959370 
1 1 1 -9  2  18 o 505.5495 6.325763 21871.29       546.1080 22498.22       763.6470 21215.07       781.2817 512.2246 8.730322 497.2862 9.200244 14.93845       12.68318 
1 1 1 -9  2  19 o 363.4241 4.907025 11296.16       304.5327 11614.77       430.2764 10976.37       431.0734 368.2212 6.842846 357.9221 7.052787 10.29910       9.826818 
1 1 1 -9  2  20 o 298.3266 4.712849 7613.714       240.0918 7543.506       295.7430 7749.432       411.1871 296.7950 5.835202 300.4246 8.014974 -3.629578      9.914101 
1 1 1 -9  2  21 o 80.10298 5.193256 551.7590       70.65509 522.1049       104.7451 576.5168       95.70808 77.51881 8.029114 81.66882 6.927967 -4.150002      10.60488 
1 1 1 -9  2  22 o 93.98094 5.292928 759.2756       84.59916 770.0767       129.3497 751.2015       111.8349 94.22408 8.118238 93.22984 7.077403 0.9942322      10.77012 
1 1 1 -9  2  23 o 34.70542 8.888953 108.0075       52.91278 100.3859       72.41434 116.7384       77.50468 34.30722 10.95274 36.61754 11.28121 -2.310318      15.72350 
1 1 1 -9  2  24 o 146.6974 3.741783 1841.919       93.73524 1818.271       129.3264 1868.091       136.0525 145.5882 5.201865 147.5425 5.399924 -1.954315      7.497905 
1 1 1 -9  2  25 f 50.78197 8.295045 228.6979       69.44936 293.9922       93.43771 148.1000       103.8118 57.36121 9.896549 41.21740 13.10922 16.14381       16.42539 
1 1 1 -9  2  26 o 91.31313 11.75862 743.9194       179.0941 869.2968       261.4786 633.1248       245.8023 97.04422 16.36032 81.88560 18.06316 15.15862       24.37084 
1 1 1 -9  2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  2  28 o 137.0896 6.643557 1622.340       155.5275 1589.612       194.5829 1680.237       258.8026 134.9854 8.484598 137.7752 11.09409 -2.789871      13.96665 
1 1 1 -9  2  29 o 29.08403 11.14482 53.40263       77.47839 116.5203       100.1660 -40.60671      122.2448 37.39498 12.91095 27.99680 12.50962 9.398176       17.97730 
1 1 1 -9  2  30 o 128.3370 4.695598 1419.128       102.9070 1250.737       138.2335 1628.461       154.1248 119.7126 6.789898 136.8766 6.593885 -17.16404      9.464779 
1 1 1 -9  2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  2  32 o 68.82308 6.401380 418.1653       74.37079 472.0623       103.6983 361.0824       106.7191 72.26411 8.570275 62.26455 10.40401 9.999561       13.47935 
1 1 1 -9  2  33 o 53.86422 7.950141 264.2776       70.92870 277.1391       92.27016 245.6996       110.8952 54.08444 10.36781 49.65936 12.94477 4.425079       16.58489 
1 1 1 -9  2  34 o 71.03008 6.319839 450.3710       75.85590 416.8652       99.03731 497.9248       117.9863 66.93658 8.883763 72.65245 9.756545 -5.715874      13.19513 
1 1 1 -9  2  35 o 32.48294 11.19639 100.4418       75.31355 326.9559       125.2396 -27.87533      94.26196 55.53022 13.36789 23.65744 10.73998 31.87278       17.14782 
1 1 1 -9  2  36 o 26.84118 11.15781 40.84788       84.37117 -47.60968      126.6287 111.4693       113.1444 25.92416 12.01581 34.38609 13.38870 -8.461933      17.98992 
1 1 1 -9  3  1  o 455.1383 8.375365 17749.77       650.9521 17388.89       939.8743 18082.47       902.4371 449.5880 12.24202 458.6631 11.52182 -9.075104      16.81129 
1 1 1 -9  3  2  o 339.6943 6.648445 9877.007       385.6650 9391.210       544.7180 10365.29       546.1100 330.7832 9.643315 347.5959 9.200333 -16.81277      13.32815 
1 1 1 -9  3  3  o 184.5297 4.932200 2911.574       155.4207 2843.879       218.9634 2980.312       220.6425 182.2367 7.036129 186.5652 6.925584 -4.328583      9.872731 
1 1 1 -9  3  4  o 310.1851 9.535033 8260.283       505.0624 8182.916       527.0463 9130.081       1767.172 308.6448 9.999722 315.1830 33.33936 -6.538208      34.80671 
1 1 1 -9  3  5  o 47.68380 7.718168 199.7720       60.69970 199.7720       60.69970 0.000000       0.000000 47.68380 7.718168 ?        ?        0.000000       7.718168 
1 1 1 -9  3  6  o 157.7603 5.714301 2129.112       153.9440 2185.307       162.8335 1656.187       472.3778 159.8149 5.966569 136.0601 21.00742 23.75478       21.83831 
1 1 1 -9  3  7  o 480.7569 13.46470 19928.24       1105.412 23946.69       3921.011 19581.28       1152.145 499.7293 46.48025 476.3062 14.16508 23.42310       48.59077 
1 1 1 -9  3  8  o 277.3332 8.588177 6590.614       406.7286 8816.932       1019.015 6168.723       443.5956 318.0896 18.84382 268.1798 9.686330 49.90976       21.18761 
1 1 1 -9  3  9  o 290.7741 8.573592 7241.472       425.7166 8141.600       1077.642 7075.021       463.4093 305.3559 20.79023 287.3181 9.444953 18.03778       22.83507 
1 1 1 -9  3  10 o 84.35635 5.441521 610.7701       77.96820 676.7139       123.2163 566.7336       100.6904 88.53503 8.244669 81.05939 7.354214 7.475632       11.04803 
1 1 1 -9  3  11 o 204.1591 5.616935 3562.566       195.8259 3388.580       282.5644 3723.356       271.6378 198.9877 8.315516 208.6237 7.624734 -9.636002      11.28204 
1 1 1 -9  3  12 o 632.8533 10.89924 34326.66       1177.880 32454.30       1666.180 36197.20       1665.368 614.0400 15.88998 648.7562 15.03235 -34.71619      21.87380 
1 1 1 -9  3  13 o 453.0952 7.396381 17560.64       572.2828 16837.18       707.9946 18924.31       972.0301 443.4232 9.349957 469.6408 12.12026 -26.21765      15.30759 
1 1 1 -9  3  14 o 426.0077 5.497877 15512.12       399.9580 15674.96       490.6384 15189.58       690.5239 428.1257 6.711016 421.0942 9.602791 7.031464       11.71543 
1 1 1 -9  3  15 o 617.0605 9.562326 32624.37       1007.612 32020.59       1235.828 33821.64       1740.286 610.7549 11.84921 626.2175 16.27396 -15.46259      20.13071 
1 1 1 -9  3  16 o 511.4686 7.007521 22382.81       612.0478 22613.18       751.7814 21929.96       1054.014 513.8295 8.567825 505.1973 12.21754 8.632233       14.92233 
1 1 1 -9  3  17 f 145.9574 4.809508 1821.045       119.8750 1809.067       148.3595 1843.572       203.4615 145.4315 5.973861 146.4740 8.166794 -1.042542      10.11847 
1 1 1 -9  3  18 o 576.2310 10.24208 28533.45       1007.829 28473.66       1050.001 29233.27       3592.173 575.4642 10.68488 560.1528 37.77396 15.31140       39.25607 
1 1 1 -9  3  19 o 51.81264 6.641617 233.7146       57.41129 202.7601       81.09801 264.8129       81.28598 47.64005 10.27098 54.81998 8.995185 -7.179932      13.65307 
1 1 1 -9  3  20 f 214.0357 4.338142 3918.466       158.5594 4011.467       202.1729 3769.848       255.5712 216.4475 5.469761 209.6199 7.139659 6.827621       8.994054 
1 1 1 -9  3  21 o 152.4032 5.050628 1989.060       131.4442 1733.490       198.2593 2189.506       175.5804 141.6958 8.229038 159.7506 6.436231 -18.05478      10.44711 
1 1 1 -9  3  22 f 29.91231 8.794819 78.47283       47.91030 49.51167       69.72182 104.3825       65.94650 28.06377 10.61530 34.53280 10.35902 -6.469028      14.83219 
1 1 1 -9  3  23 o 64.26534 5.468886 356.8351       59.44680 406.0697       79.35716 293.8777       89.73753 68.36714 6.891290 57.53817 9.462055 10.82897       11.70557 
1 1 1 -9  3  24 f 147.3960 3.832201 1859.914       96.45746 1853.293       134.5212 1866.922       138.3837 146.9476 5.360758 147.4676 5.495238 -0.5199890     7.676937 
1 1 1 -9  3  25 o 115.4668 4.264515 1142.530       84.08694 1098.009       116.5010 1190.947       121.4896 112.8250 6.069063 117.5147 6.074802 -4.689758      8.587010 
1 1 1 -9  3  26 o 69.02606 20.51939 454.3726       259.6203 644.4565       291.5021 -274.8010      570.9322 81.60377 20.84363 55.42741 25.62819 26.17636       33.03425 
1 1 1 -9  3  27 o 85.55909 6.480666 634.5505       93.98363 629.4368       123.8314 641.4983       144.3388 84.71121 8.682963 85.12747 10.12791 -0.4162598     13.34048 
1 1 1 -9  3  28 o 79.93261 9.758731 566.4974       130.4388 321.7588       191.6795 777.5840       178.0142 58.53212 17.68398 93.25666 11.41665 -34.72454      21.04906 
1 1 1 -9  3  29 o 173.5611 6.448243 2607.204       191.1154 2686.414       237.3071 2461.009       322.3953 175.5790 7.914730 165.8906 11.45070 9.688400       13.91982 
1 1 1 -9  3  30 o 35.11335 10.85886 111.2933       71.73278 -39.06643      95.63617 304.6827       108.4608 24.27585 10.93823 57.21900 11.49914 -32.94315      15.87057 
1 1 1 -9  3  31 o 107.1015 4.981661 992.3413       91.11117 1044.516       125.4050 934.0108       132.5968 109.0891 6.765177 102.7625 7.610181 6.326546       10.18246 
1 1 1 -9  3  32 o 66.06449 6.806829 387.6021       75.69218 466.0576       94.74552 249.1855       125.8466 72.08022 7.822919 49.98760 14.12028 22.09262       16.14250 
1 1 1 -9  3  33 f 33.07389 11.29971 98.92667       76.65768 -31.79834      105.3341 246.1221       111.7729 25.39205 11.45673 49.54543 13.03510 -24.15338      17.35426 
1 1 1 -9  3  34 o 95.91023 5.444859 811.1651       88.80950 823.4314       131.2796 800.8148       120.5912 94.77766 8.191806 93.91642 7.583904 0.8612442      11.16339 
1 1 1 -9  3  35 o 25.88418 10.86334 29.52240       81.10453 69.84711       119.8301 -4.566126      110.1754 32.15349 13.32600 26.71359 11.91049 5.439903       17.87294 
1 1 1 -9  3  36 o 84.00237 6.287201 638.8584       89.53436 693.3579       139.1011 600.3072       116.9912 84.20811 9.859966 79.33443 8.782894 4.873680       13.20447 
1 1 1 -9  4  1  o 381.0970 7.264236 12425.91       472.7456 11783.51       667.9440 13070.69       669.1841 370.6967 10.55162 390.4987 10.03516 -19.80197      14.56163 
1 1 1 -9  4  2  o 70.34681 4.994118 425.1064       59.60374 412.0466       84.08760 438.2942       84.49876 69.01507 7.242861 71.22672 7.039246 -2.211655      10.10000 
1 1 1 -9  4  3  o 453.4543 8.947243 17620.04       692.8268 17203.76       979.3414 18037.11       980.2694 447.2171 12.82371 457.9961 12.53377 -10.77902      17.93162 
1 1 1 -9  4  4  o 356.7427 6.655521 10888.70       405.4516 10494.80       585.1257 11252.51       562.3430 349.8117 9.795192 362.3316 9.088521 -12.51987      13.36215 
1 1 1 -9  4  5  o 195.5097 6.526607 3270.120       217.9003 3233.570       237.7907 3461.582       544.2458 194.3749 7.163953 199.5292 16.11040 -5.154251      17.63142 
1 1 1 -9  4  6  o 482.7931 8.950060 19972.68       737.8854 20454.48       1064.348 19526.82       1023.883 487.6841 12.78037 476.5500 12.58171 11.13416       17.93425 
1 1 1 -9  4  7  o 209.4549 5.341444 3750.294       191.0518 3533.191       262.4863 3994.888       278.6100 203.1814 7.565205 216.0502 7.551621 -12.86873      10.68921 
1 1 1 -9  4  8  o 299.8722 9.053208 7701.757       463.5970 9904.097       1229.957 7337.059       500.5122 337.0019 21.48446 292.5847 10.01754 44.41714       23.70513 
1 1 1 -9  4  9  o 303.8701 6.145565 7894.258       318.8979 8215.283       445.0711 7555.572       457.1510 309.8116 8.412591 297.0588 9.011879 12.75287       12.32825 
1 1 1 -9  4  10 o 219.9653 5.528131 4135.314       207.6512 4109.442       286.7311 4163.849       301.1236 219.1767 7.660876 220.6043 7.993350 -1.427612      11.07171 
1 1 1 -9  4  11 o 273.7809 5.568356 6406.296       260.3347 5919.845       359.4302 6943.107       377.5774 263.0429 8.001769 284.8883 7.761210 -21.84537      11.14741 
1 1 1 -9  4  12 o 492.0193 9.173909 20727.10       770.7943 20046.70       1093.216 21399.72       1086.946 483.1513 13.25015 499.2967 12.74816 -16.14539      18.38701 
1 1 1 -9  4  13 o 315.2103 6.900104 8497.526       371.4137 8290.088       520.6064 8712.549       530.0373 311.0772 9.800300 318.9123 9.732699 -7.835052      13.81200 
1 1 1 -9  4  14 o 573.8281 9.768696 28214.65       957.2388 26917.53       1182.352 30682.33       1630.802 559.8860 12.36645 596.6202 16.00668 -36.73425      20.22729 
1 1 1 -9  4  15 f 379.7850 5.647242 12331.42       366.2488 12212.54       456.2914 12546.73       614.0670 377.8102 7.072399 382.6459 9.397595 -4.835724      11.76153 
1 1 1 -9  4  16 o 177.8010 4.397836 2701.648       133.5289 2497.925       166.9993 3062.763       222.3396 170.9130 5.721864 189.1889 6.882071 -18.27585      8.950007 
1 1 1 -9  4  17 o 532.2038 8.996683 24293.58       817.6404 24388.62       835.1171 22093.97       4017.675 533.1964 9.171877 474.5837 50.34342 58.61273       51.17210 
1 1 1 -9  4  18 o 73.41083 5.322442 463.4485       66.26934 487.3535       87.07310 430.5397       102.1632 75.11844 6.863739 70.30125 8.695426 4.817184       11.07797 
1 1 1 -9  4  19 o 97.64666 5.458709 818.6957       90.65815 916.7769       134.6096 737.2765       122.6441 103.0794 7.702865 92.35609 7.850857 10.72329       10.99864 
1 1 1 -9  4  20 o 30.65974 8.551657 83.18790       46.46439 85.50679       68.12679 81.17110       63.53445 32.22101 10.64892 31.31705 10.28055 0.9039593      14.80166 
1 1 1 -9  4  21 o 235.5259 4.514804 4748.580       181.5848 4656.417       223.1418 4929.257       312.4334 233.0673 5.606577 239.3932 7.642644 -6.325943      9.478593 
1 1 1 -9  4  22 o 179.8915 4.005804 2769.472       123.0559 2856.865       153.3900 2611.660       206.1241 182.6008 4.919177 174.2914 6.925495 8.309387       8.494750 
1 1 1 -9  4  23 o 232.9736 3.965207 4646.509       157.7519 4876.519       220.3071 4404.478       225.9911 238.4006 5.411520 226.4768 5.843401 11.92372       7.964288 
1 1 1 -9  4  24 o 154.0166 3.941661 2031.278       103.6690 1915.656       140.9265 2167.636       153.0419 149.3600 5.525309 158.8606 5.641469 -9.500610      7.896531 
1 1 1 -9  4  25 o 119.7951 4.099140 1229.603       83.85590 1272.666       117.6026 1185.064       119.6030 121.6828 5.659602 117.2233 5.994893 4.459534       8.244382 
1 1 1 -9  4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  4  27 o 139.6166 4.623508 1672.903       110.2328 1788.188       150.9925 1541.336       161.3032 144.0670 6.137463 133.3680 7.108192 10.69902       9.391212 
1 1 1 -9  4  28 o 172.1240 4.411957 2543.239       129.6805 2449.101       179.0538 2647.095       188.0701 168.4623 6.224131 175.1201 6.289004 -6.657791      8.848242 
1 1 1 -9  4  29 o 49.31975 12.44245 227.3767       104.7855 258.1163       172.7801 209.4929       131.7876 52.39084 16.93865 47.48094 14.72423 4.909901       22.44373 
1 1 1 -9  4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  4  31 o 22.04219 9.594741 -5.826061      67.57931 -69.60930      89.36491 79.36993       103.2817 21.56011 10.02759 33.38975 12.84997 -11.82964      16.29952 
1 1 1 -9  4  32 o 29.30099 11.21642 61.42303       78.42690 -59.04747      106.6349 203.3684       115.7497 24.33101 11.18720 45.33947 13.75192 -21.00846      17.72762 
1 1 1 -9  4  33 o 95.69057 5.678397 805.6852       92.37389 843.6193       133.6521 770.9916       127.8160 96.41435 8.195387 92.13639 8.209682 4.277962       11.60014 
1 1 1 -9  4  34 o 40.88916 11.36900 167.8741       82.25856 43.28894       115.9939 293.9189       116.6714 30.40427 12.88785 53.23024 12.95724 -22.82597      18.27531 
1 1 1 -9  4  35 o 94.80905 5.548787 798.4903       89.44425 805.5626       129.0721 791.9562       124.0631 93.14234 8.198451 92.59128 7.922698 0.5510635      11.40104 
1 1 1 -9  4  36 o 22.66377 10.20698 -14.24892      83.16069 34.65374       116.3564 -65.31190      118.8987 28.92156 12.58957 24.22789 11.36527 4.693668       16.96074 
1 1 1 -9  5  1  o 461.6311 8.668623 18237.81       683.3561 17223.00       965.9233 19254.68       966.9005 448.0205 12.62533 473.8304 11.94970 -25.80994      17.38374 
1 1 1 -9  5  2  o 447.3325 8.121675 17122.13       620.4088 16595.32       877.0013 17649.87       877.7802 439.8984 11.67470 453.7178 11.32917 -13.81937      16.26803 
1 1 1 -9  5  3  f 188.3887 4.850806 3032.677       156.0525 2833.357       224.7800 3218.126       216.8183 182.0044 7.232257 194.0002 6.544733 -11.99576      9.753926 
1 1 1 -9  5  4  o 91.89032 3.898982 721.3384       61.18190 661.5588       94.92668 763.8166       80.01928 87.73067 6.379974 94.41033 4.980958 -6.679665      8.094073 
1 1 1 -9  5  5  o 106.5425 3.727271 969.6737       67.81346 1041.865       107.7729 922.3578       87.25101 110.2517 5.744172 103.8922 4.917967 6.359505       7.561872 
1 1 1 -9  5  6  f 224.5731 4.151793 4308.627       159.2191 4648.488       263.9391 4114.200       199.6332 233.1574 6.629071 219.4065 5.328210 13.75087       8.504964 
1 1 1 -9  5  7  o 350.9320 7.568621 10534.96       453.5671 10933.50       639.4568 10131.43       643.4434 357.2009 10.48327 343.7921 10.96005 13.40884       15.16646 
1 1 1 -9  5  8  o 540.9608 8.502463 25043.61       785.4391 25231.78       961.2947 24665.70       1362.315 542.6866 10.37303 535.5994 14.89483 7.087158       18.15091 
1 1 1 -9  5  9  o 243.9660 4.681528 5085.460       195.0378 4454.688       242.6123 6237.873       327.9298 228.2747 6.223763 270.0764 7.110373 -41.80168      9.449477 
1 1 1 -9  5  10 o 340.8438 7.058332 9935.154       410.8274 9597.501       570.9662 10297.63       591.5772 334.7347 9.988671 346.7288 9.991245 -11.99405      14.12793 
1 1 1 -9  5  11 o 360.7978 6.563340 11130.67       404.3810 10956.72       566.6739 11311.15       577.2345 357.7125 9.276777 363.4494 9.300502 -5.736908      13.13613 
1 1 1 -9  5  12 o 165.9734 5.701451 2354.738       161.5942 1532.831       310.5379 2659.940       189.2333 132.8288 13.89624 176.3804 6.282686 -43.55156      15.25050 
1 1 1 -9  5  13 o 154.1084 4.738266 2029.492       124.6947 1541.498       189.6364 2401.198       165.5061 133.9350 8.332649 167.5938 5.783012 -33.65881      10.14279 
1 1 1 -9  5  14 o 115.0074 5.130280 1130.542       100.7555 1020.028       141.5710 1243.972       143.4268 108.9031 7.661383 120.3804 7.007374 -11.47729      10.38268 
1 1 1 -9  5  15 o 107.8228 6.339094 997.8768       116.2051 966.2001       122.0849 1303.171       379.0107 106.0518 6.776682 121.1869 18.93382 -15.13504      20.11002 
1 1 1 -9  5  16 o 220.3649 5.351616 4152.629       201.3860 3908.618       288.4290 4384.744       281.3101 213.5989 7.907480 226.2925 7.279696 -12.69360      10.74813 
1 1 1 -9  5  17 o 203.1053 4.304795 3526.468       149.3055 3517.016       187.4171 3542.886       247.0132 202.7617 5.412790 203.3650 7.112824 -0.6032715     8.938152 
1 1 1 -9  5  18 o 172.9671 4.646344 2558.818       137.2387 2371.780       194.1135 2745.747       194.0563 166.3609 6.832861 179.0415 6.347050 -12.68065      9.325933 
1 1 1 -9  5  19 o 175.8918 4.464465 2646.704       134.0963 2711.412       167.6556 2531.802       223.4105 177.9380 5.517563 171.7135 7.618989 6.224564       9.407044 
1 1 1 -9  5  20 o 178.9465 4.201397 2739.819       128.3864 2849.296       159.0795 2535.299       217.4300 182.3961 5.107361 171.7614 7.412969 10.63478       9.002069 
1 1 1 -9  5  21 o 157.9696 4.578596 2136.774       123.5116 2070.691       152.2486 2263.989       211.2390 155.3813 5.737895 162.1942 7.626703 -6.812881      9.544110 
1 1 1 -9  5  22 o 117.1115 4.323043 1174.480       86.45522 1126.949       106.3674 1267.011       148.4093 114.6199 5.434335 121.1126 7.208377 -6.492699      9.027330 
1 1 1 -9  5  23 o 112.8349 4.149927 1090.404       79.96238 1161.145       99.35252 960.3119       134.7305 116.3573 5.000155 105.2583 7.545690 11.09900       9.052015 
1 1 1 -9  5  24 o 206.9339 4.178081 3668.855       147.6422 3606.243       184.6058 3779.989       245.9446 204.9515 5.274633 209.4304 6.876947 -4.478882      8.666842 
1 1 1 -9  5  25 o 43.72653 16.45741 135.6294       167.0875 122.2040       175.5663 264.6393       544.2377 43.38799 16.73797 68.05414 28.31823 -24.66615      32.89501 
1 1 1 -9  5  26 o 154.4948 4.598728 2047.599       121.3259 1996.407       154.3843 2130.275       196.1956 152.3132 5.935587 157.0190 7.317038 -4.705795      9.421796 
1 1 1 -9  5  27 o 64.76617 6.709523 365.9055       73.13007 322.0319       91.13641 445.2322       122.5464 60.14663 9.162673 70.54808 10.49156 -10.40145      13.92937 
1 1 1 -9  5  28 o 111.8578 5.032135 1076.621       96.12150 870.9473       123.3500 1394.614       153.3764 99.93706 7.277883 126.6311 7.121695 -26.69401      10.18264 
1 1 1 -9  5  29 o 150.3840 4.363733 1945.851       112.0629 1957.340       149.9545 1931.319       168.6494 150.3733 5.839651 149.0795 6.624681 1.293747       8.831078 
1 1 1 -9  5  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  5  31 o 89.37238 8.224927 715.4019       124.1184 628.0928       243.3907 746.0867       144.2900 76.65794 18.74819 90.61590 9.464251 -13.95795      21.00159 
1 1 1 -9  5  32 o 34.64719 13.73313 84.77484       120.8928 84.77484       120.8928 0.000000       0.000000 34.64719 13.73313 ?        ?        0.000000       13.73313 
1 1 1 -9  5  33 o 44.28668 10.57158 190.9465       78.84135 121.0371       113.3650 256.4340       109.7212 36.57427 13.59686 50.26328 12.76043 -13.68901      18.64680 
1 1 1 -9  5  34 o 106.9116 5.453507 1010.748       99.23301 1089.922       137.5935 924.9296       143.2507 109.4697 7.403944 99.86580 8.480169 9.603882       11.25752 
1 1 1 -9  5  35 o 19.60849 9.184071 -57.11464      77.12872 -20.99304      117.9132 -84.12786      101.9688 26.41187 11.99875 21.77159 10.30841 4.640282       15.81876 
1 1 1 -9  6  1  o 65.92751 3.990585 372.6496       44.71510 288.8549       60.96066 470.2419       65.78835 57.79047 6.278189 73.99658 5.240267 -16.20611      8.177778 
1 1 1 -9  6  2  o 478.5663 8.970492 19601.84       733.0950 19158.91       1058.456 20010.22       1016.332 472.4849 13.11847 483.0133 12.32182 -10.52841      17.99781 
1 1 1 -9  6  3  o 470.2384 6.945658 18907.63       557.7421 18568.27       963.1683 19078.83       684.1130 465.3110 12.12152 472.1944 8.484087 -6.883453      14.79564 
1 1 1 -9  6  4  o 235.1361 4.612151 4723.789       185.1931 5003.205       315.4073 4576.777       228.7819 241.8547 7.636868 231.4053 5.789570 10.44939       9.583364 
1 1 1 -9  6  5  o 357.8764 7.424814 10953.90       453.7542 11930.03       652.7436 10041.11       631.2087 373.1988 10.24237 342.3207 10.79786 30.87802       14.88288 
1 1 1 -9  6  6  o 124.8091 3.850806 1330.646       82.07291 1385.819       119.9917 1282.141       112.5068 127.3398 5.518043 122.4867 5.378831 4.853127       7.705883 
1 1 1 -9  6  7  o 264.3759 4.437037 5971.491       200.3166 6033.166       280.2889 5907.101       286.3906 265.6611 6.178400 262.8605 6.380158 2.800568       8.881388 
1 1 1 -9  6  8  o 572.9758 8.429111 28094.82       824.7457 27051.61       1016.485 30104.82       1410.950 561.8698 10.59408 591.9550 13.95793 -30.08527      17.52308 
1 1 1 -9  6  9  o 283.2978 4.615255 6857.448       223.2754 6557.566       275.5271 7431.041       381.0576 276.9766 5.825313 294.7337 7.571100 -17.75705      9.552792 
1 1 1 -9  6  10 o 379.3535 6.888952 12307.36       446.2716 11775.23       554.0411 13290.44       753.0527 370.8777 8.748012 393.6890 11.20134 -22.81131      14.21259 
1 1 1 -9  6  11 o 260.5379 4.472366 5799.959       198.9803 5400.617       245.2668 6568.889       340.3373 251.3517 5.714195 277.1136 7.192002 -25.76192      9.185691 
1 1 1 -9  6  12 o 368.1517 5.033471 11583.65       316.4436 5137.607       736.9212 13041.00       350.3940 243.1877 17.87023 390.6078 5.253078 -147.4201      18.62633 
1 1 1 -9  6  13 o 124.4040 5.666125 1323.174       120.3711 1396.945       177.0431 1259.758       164.1482 127.4734 8.176245 121.0454 7.986070 6.428009       11.42927 
1 1 1 -9  6  14 o 327.1090 8.135872 9163.894       454.4630 9215.109       475.2530 8616.626       1553.532 327.9780 8.485516 310.1909 29.69121 17.78711       30.87996 
1 1 1 -9  6  15 o 265.1479 6.802554 6017.779       308.0081 5351.373       642.7905 6216.394       350.9183 248.3433 15.23061 269.4012 7.627892 -21.05792      17.03398 
1 1 1 -9  6  16 o 40.94543 8.782498 149.3482       59.56699 147.7680       73.41026 152.3939       101.9188 40.69504 10.49532 42.03306 12.93440 -1.338017      16.65684 
1 1 1 -9  6  17 o 206.7739 3.949489 3655.007       139.4564 3544.786       172.0991 3865.782       237.9887 203.5620 4.950851 212.4268 6.560622 -8.864792      8.219045 
1 1 1 -9  6  18 o 320.6329 5.201648 8800.279       284.8073 8583.501       348.9321 9232.972       492.9734 316.4411 6.457227 327.6413 8.810954 -11.20016      10.92377 
1 1 1 -9  6  19 o 214.9526 4.492168 3954.133       164.8924 3827.492       204.0664 4192.365       279.8879 211.3413 5.654384 220.8973 7.419793 -9.556030      9.328740 
1 1 1 -9  6  20 o 202.4963 4.729658 3511.423       163.5493 3542.940       204.6505 3455.716       272.0774 203.2377 5.896667 200.3470 7.952574 2.890717       9.900208 
1 1 1 -9  6  21 o 61.13152 5.617953 323.2561       57.99068 337.8712       70.32333 292.1971       102.5162 62.34276 6.711340 57.08319 10.91457 5.259571       12.81288 
1 1 1 -9  6  22 o 101.5116 4.429661 882.7773       76.78709 869.4962       94.77241 908.1564       131.0098 100.5000 5.543664 102.3669 7.547731 -1.866943      9.364852 
1 1 1 -9  6  23 o 81.74058 4.439179 574.2958       61.73204 542.1796       73.66486 650.0480       113.1345 79.27548 5.475066 86.42807 7.747711 -7.152588      9.487011 
1 1 1 -9  6  24 o 128.3019 15.65130 1495.327       335.8064 1495.327       335.8064 0.000000       0.000000 128.3019 15.65130 ?        ?        0.000000       15.65130 
1 1 1 -9  6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  6  26 o 78.40689 5.174026 530.5234       68.88689 529.2706       84.32784 533.0364       119.4319 78.10017 6.378600 77.72702 9.174881 0.3731537      11.17430 
1 1 1 -9  6  27 o 89.15817 5.123590 685.7963       77.67981 574.4225       97.95860 874.4813       127.5029 81.15851 7.140863 100.1655 7.508816 -19.00703      10.36215 
1 1 1 -9  6  28 f 69.75358 6.259664 424.3838       73.76874 546.6812       97.48740 260.5416       112.8373 78.96043 7.313008 52.77923 12.67827 26.18119       14.63621 
1 1 1 -9  6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  6  30 o 174.9888 4.986655 2649.940       149.0121 2596.947       188.0346 2739.407       244.3185 172.4955 6.383488 175.9789 8.130060 -3.483398      10.33667 
1 1 1 -9  6  31 o 114.3451 5.848691 1144.564       113.8209 1031.525       141.6720 1350.367       191.1594 107.5282 7.767694 122.0458 9.240663 -14.51758      12.07174 
1 1 1 -9  6  32 f 95.69126 5.608223 804.0768       91.24283 867.7158       124.5992 730.4890       133.9851 98.38528 7.472054 89.34362 8.900420 9.041664       11.62106 
1 1 1 -9  6  33 o 94.44028 18.07743 1020.689       280.9192 0.000000       0.000000 1020.689       280.9192 ?        ?        94.44028 18.07743 0.000000       18.07743 
1 1 1 -9  6  34 o 56.96152 9.752023 313.5842       91.44775 184.7962       113.1423 556.2375       155.3032 41.64356 13.72141 73.39081 12.86064 -31.74725      18.80620 
1 1 1 -9  6  35 o 59.64419 8.229891 336.6337       81.59034 312.6094       112.6112 363.1811       118.3770 54.20033 12.43141 58.78453 12.19226 -4.584206      17.41238 
1 1 1 -9  7  1  o 469.4530 6.820526 18845.59       546.7792 19048.66       941.1490 18742.13       671.7807 471.2886 11.69417 467.9800 8.406172 3.308594       14.40199 
1 1 1 -9  7  2  o 137.3012 3.921148 1610.404       91.93679 1640.857       142.6501 1588.767       120.2399 138.5467 6.029397 136.3510 5.164027 2.195709       7.938564 
1 1 1 -9  7  3  o 281.3532 4.758748 6763.803       228.6370 6484.572       393.1068 6906.547       281.0660 275.2761 8.362576 284.2571 5.790220 -8.980957      10.17150 
1 1 1 -9  7  4  o 114.6109 4.013278 1122.146       78.54657 1068.900       113.8233 1170.553       108.5289 111.6630 5.991126 117.0317 5.430503 -5.368706      8.086035 
1 1 1 -9  7  5  o 184.4716 3.772538 2906.913       118.8407 2950.389       189.4668 2878.714       152.5891 185.7813 5.972128 183.5464 4.868282 2.234833       7.704965 
1 1 1 -9  7  6  o 491.9319 6.686868 20692.99       561.7327 20524.73       794.5766 20861.11       794.2435 489.5594 9.504482 493.5673 9.423351 -4.007874      13.38412 
1 1 1 -9  7  7  o 175.1353 3.981659 2620.307       119.0802 2176.722       185.5789 2930.784       155.2583 159.5420 6.811637 185.1949 4.909348 -25.65288      8.396433 
1 1 1 -9  7  8  o 293.0467 4.409706 7337.346       220.6726 7537.259       314.5323 7143.552       309.6806 296.9138 6.203444 289.0508 6.273904 7.863007       8.822958 
1 1 1 -9  7  9  o 486.2401 7.365001 20226.55       611.5408 20430.22       755.1747 19838.54       1042.331 488.4384 9.053901 480.6290 12.69970 7.809387       15.59665 
1 1 1 -9  7  10 o 314.8933 5.483503 8476.062       294.8651 5984.244       408.4756 11187.37       426.0862 264.3290 9.049392 361.6480 6.899370 -97.31903      11.37949 
1 1 1 -9  7  11 o 41.93841 6.259213 153.7158       43.45407 172.6732       52.79529 113.9018       76.51118 44.35606 7.218356 36.45493 11.20495 7.901131       13.32875 
1 1 1 -9  7  12 o 201.3104 5.226624 3464.374       179.6757 3458.915       184.8668 3557.488       763.5599 201.1444 5.382066 200.6782 22.67930 0.4662170      23.30917 
1 1 1 -9  7  13 o 158.9750 4.570591 2160.118       124.0804 2191.445       168.1284 2122.647       183.8800 160.0567 6.151278 157.4897 6.837233 2.567047       9.197063 
1 1 1 -9  7  14 o 263.7413 4.619596 5946.518       208.0579 5774.934       255.8877 6281.237       357.3967 259.8192 5.767351 270.7630 7.729641 -10.94385      9.644153 
1 1 1 -9  7  15 o 391.4830 6.773925 13126.33       452.8509 12635.86       618.6724 13692.42       664.6527 383.5393 9.446021 399.1742 9.750580 -15.63483      13.57576 
1 1 1 -9  7  16 o 135.6387 4.086313 1572.950       94.64924 1591.300       117.0887 1538.352       160.7780 136.3811 5.027577 133.7782 7.062867 2.602921       8.669522 
1 1 1 -9  7  17 o 203.7458 4.081370 3550.091       142.0027 3566.886       176.0472 3518.815       240.2450 204.1411 5.050063 202.5416 6.946055 1.599518       8.587830 
1 1 1 -9  7  18 o 55.89609 5.417530 270.1438       51.06208 265.9784       59.64826 281.5692       98.78754 55.31556 6.434892 56.16164 10.69108 -0.8460770     12.47826 
1 1 1 -9  7  19 o 246.0072 4.532927 5181.171       190.4270 5135.329       232.7392 5274.014       331.2145 244.7502 5.568581 247.5459 7.835231 -2.795624      9.612489 
1 1 1 -9  7  20 o 206.8393 3.942056 3661.224       139.2380 3701.866       171.4726 3582.553       238.5684 207.8656 4.830701 204.1382 6.843634 3.727432       8.376813 
1 1 1 -9  7  21 o 62.77865 5.413161 340.6254       57.46433 375.4567       68.80447 260.3001       104.4859 65.81615 6.194732 53.60200 11.73993 12.21416       13.27406 
1 1 1 -9  7  22 f 103.8718 4.495641 924.6722       79.74272 1009.394       99.20919 770.0203       134.0390 108.4412 5.357417 93.98418 8.441726 14.45706       9.998233 
1 1 1 -9  7  23 o 131.4742 4.042391 1480.803       90.75713 1476.073       108.2885 1491.967       166.3714 131.1704 4.834423 131.2425 7.454137 -0.7209778E-01 8.884583 
1 1 1 -9  7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  7  25 o 106.4208 4.604391 971.6901       83.67594 903.9658       104.0529 1095.648       140.7732 102.3049 5.982063 112.3479 7.378603 -10.04297      9.498887 
1 1 1 -9  7  26 o 118.6786 4.360209 1208.396       88.36530 1170.424       107.7887 1286.219       154.3098 116.6478 5.411219 121.6587 7.463657 -5.010963      9.218864 
1 1 1 -9  7  27 o 157.0176 4.148485 2116.548       111.2346 2164.771       137.8061 2026.381       188.4366 158.5796 5.088843 152.7985 7.221778 5.781082       8.834614 
1 1 1 -9  7  28 o 83.44926 5.475034 604.4656       77.58836 607.1024       95.04774 599.1993       134.3254 83.28386 6.740931 81.63517 9.833464 1.648689       11.92213 
1 1 1 -9  7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  7  30 o 91.26414 6.117763 730.5083       94.79251 681.3495       120.3354 810.8947       153.8807 87.22590 8.174117 94.36723 9.686448 -7.141335      12.67452 
1 1 1 -9  7  31 o 116.2090 5.218793 1176.032       103.5647 1028.311       129.4471 1438.747       172.6286 107.5770 7.086140 126.6429 8.023798 -19.06590      10.70489 
1 1 1 -9  7  32 o 78.61797 6.930146 554.3447       92.08751 527.2164       110.2129 617.0841       167.6067 75.64161 8.690192 78.68291 12.92286 -3.041306      15.57305 
1 1 1 -9  7  33 o 21.97825 9.917532 -23.07636      78.95734 -11.09592      93.67889 -52.46455      146.7208 24.63185 10.98248 28.17547 13.01504 -3.543617      17.02956 
1 1 1 -9  7  34 o 68.61790 10.69237 465.6945       121.2067 465.6945       121.2067 0.000000       0.000000 68.61790 10.69237 ?        ?        0.000000       10.69237 
1 1 1 -9  7  35 o 43.13183 13.33224 208.5512       108.1469 155.9606       196.9573 231.2511       129.3988 38.92185 16.65440 44.33295 14.67730 -5.411106      22.19892 
1 1 1 -9  8  1  o 403.8285 6.921315 13948.60       477.2957 15858.10       823.7430 12983.51       585.6195 429.9684 11.21898 389.3959 8.806883 40.57242       14.26277 
1 1 1 -9  8  2  o 298.2614 4.733634 7601.844       241.0981 6690.667       407.9970 8090.752       298.8613 279.5596 8.546350 307.6478 5.688712 -28.08826      10.26653 
1 1 1 -9  8  3  o 318.6554 6.539624 8683.275       355.8573 7765.139       512.8911 9535.536       494.1486 301.0306 9.977289 333.7327 8.670754 -32.70212      13.21848 
1 1 1 -9  8  4  o 249.8761 6.074862 5338.267       259.2167 5677.182       366.4172 4998.720       366.7585 257.5349 8.331781 241.6151 8.889028 15.91983       12.18332 
1 1 1 -9  8  5  o 327.7711 6.803732 9188.564       380.8200 9116.805       538.0603 9260.592       539.0627 326.2089 9.659023 328.7779 9.601402 -2.569000      13.61924 
1 1 1 -9  8  6  o 286.6924 5.955047 7027.137       291.5435 6739.765       411.2268 7317.542       413.3912 280.5696 8.582995 292.3763 8.279747 -11.80673      11.92569 
1 1 1 -9  8  7  o 369.7189 5.144020 11683.03       324.7702 11970.80       460.7314 11398.83       457.8708 374.0613 7.212786 365.0021 7.345912 9.059235       10.29498 
1 1 1 -9  8  8  o 510.3383 5.765050 22267.07       502.4156 22525.20       713.3171 22012.94       707.7614 512.9503 8.143394 507.0791 8.173522 5.871246       11.53782 
1 1 1 -9  8  9  o 267.4026 4.318637 6110.019       197.2034 6144.749       279.0830 6075.386       278.6928 268.0576 6.096818 266.5386 6.122991 1.518982       8.640730 
1 1 1 -9  8  10 o 316.4073 5.353395 8559.007       289.2528 8449.623       357.0358 8767.917       493.4189 314.2690 6.652859 319.8660 9.033287 -5.596985      11.21877 
1 1 1 -9  8  11 o 446.6230 7.839022 17083.44       597.8674 17149.84       623.8514 16335.76       2093.377 447.4324 8.164918 427.8336 28.82092 19.59888       29.95516 
1 1 1 -9  8  12 o 379.7433 6.528921 12342.15       423.3830 12279.10       595.2833 12406.70       602.2861 378.3241 9.214202 380.2727 9.274826 -1.948578      13.07379 
1 1 1 -9  8  13 o 137.2289 4.729092 1610.220       110.8218 1624.518       162.7146 1597.849       151.3528 137.5485 6.949896 136.6144 6.487717 0.9340668      9.507445 
1 1 1 -9  8  14 o 293.8200 5.371772 7386.792       269.5262 7280.582       330.5565 7597.465       465.5517 291.5370 6.639725 297.3785 9.167616 -5.841461      11.31950 
1 1 1 -9  8  15 o 221.3967 4.387571 4192.084       165.8812 4315.838       205.7900 3962.509       280.2903 224.5491 5.366745 214.8900 7.638183 9.659134       9.335084 
1 1 1 -9  8  16 o 153.8917 4.126784 2025.563       108.4498 2003.089       133.1261 2069.904       186.9931 152.9669 5.096403 155.3124 7.050460 -2.345459      8.699557 
1 1 1 -9  8  17 o 162.3658 3.635751 2254.411       100.8070 2096.200       117.0804 2707.840       198.2075 156.5103 4.380659 177.6406 6.533950 -21.13037      7.866554 
1 1 1 -9  8  18 o 238.6511 4.164736 4874.070       169.7278 4736.186       207.5894 5152.114       294.7848 235.1059 5.170584 244.8426 7.050441 -9.736633      8.743206 
1 1 1 -9  8  19 o 92.28226 4.483923 729.2838       70.66076 652.6692       82.64433 937.5052       136.2448 87.05234 5.588972 104.0489 7.723069 -16.99660      9.533227 
1 1 1 -9  8  20 o 168.6224 3.617273 2433.033       104.1594 2363.871       124.5756 2593.711       189.8793 166.1229 4.391386 173.6992 6.401442 -7.576248      7.762908 
1 1 1 -9  8  21 o 126.7729 4.208119 1376.687       91.09959 1358.009       111.0100 1415.208       159.4209 125.8065 5.167222 127.9099 7.329129 -2.103439      8.967514 
1 1 1 -9  8  22 o 112.6943 4.250603 1088.313       81.80017 1027.289       99.09588 1218.822       144.9193 109.3786 5.305440 118.6503 7.186350 -9.271713      8.932599 
1 1 1 -9  8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  24 o 62.83103 5.524522 341.9317       58.67252 322.1227       68.94553 393.9460       111.7213 60.74895 6.760760 66.45210 10.16866 -5.703156      12.21104 
1 1 1 -9  8  25 o 99.24195 4.529720 845.1978       76.76594 871.2439       92.56380 787.8192       137.3865 100.5086 5.413025 94.83275 8.576474 5.675819       10.14183 
1 1 1 -9  8  26 o 33.58822 8.406795 102.1502       48.10547 108.1460       50.35871 39.61084       162.6395 34.54279 8.576656 36.80099 15.41094 -2.258198      17.63678 
1 1 1 -9  8  27 o 126.7183 4.730750 1382.832       102.3697 1415.547       128.3031 1325.521       169.8166 127.9135 5.873797 122.7924 8.144767 5.121124       10.04185 
1 1 1 -9  8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  29 o 35.11876 9.862177 114.4744       61.57779 85.84387       70.04404 211.8967       129.2069 31.57705 10.80121 46.68267 14.59626 -15.10562      18.15811 
1 1 1 -9  8  30 o 87.33233 5.521685 667.3757       81.92319 614.1938       97.85325 792.0068       149.7983 83.17687 6.952997 93.02341 9.566358 -9.846535      11.82621 
1 1 1 -9  8  31 o 65.91139 6.894847 389.1489       76.45594 358.1938       91.89545 458.7643       137.8098 62.26392 8.895703 68.49768 12.23026 -6.233761      15.12325 
1 1 1 -9  8  32 o 101.2050 5.711242 906.4728       98.30066 905.3920       123.9967 908.3012       161.2748 100.0356 7.309210 98.10003 9.756534 1.935555       12.19075 
1 1 1 -9  8  33 o 27.72008 11.13545 51.72407       80.55216 120.8976       105.2622 -46.03155      125.1334 35.46099 13.11796 26.19445 12.07166 9.266541       17.82711 
1 1 1 -9  8  34 o 43.74371 10.77237 196.0863       79.93633 105.4462       100.9480 348.4730       130.8914 33.30595 12.73111 55.98220 13.78364 -22.67625      18.76352 
1 1 1 -9  9  1  o 36.99934 7.084209 121.0815       43.12960 149.4985       63.15199 96.24131       59.04395 40.95649 9.248259 33.23428 9.761056 7.722210       13.44651 
1 1 1 -9  9  2  o 197.3300 4.359390 3327.571       146.8996 3701.038       243.7201 3114.477       184.0990 207.9787 6.862315 190.8520 5.648755 17.12662       8.888183 
1 1 1 -9  9  3  o 166.6331 3.829924 2372.332       108.9817 2295.398       173.3941 2422.570       140.1165 163.8233 6.198076 168.3546 4.873740 -4.531296      7.884762 
1 1 1 -9  9  4  f 130.4709 3.651498 1454.302       81.35547 1283.152       119.9589 1600.065       110.7054 122.5007 5.734451 136.8259 4.738040 -14.32516      7.438612 
1 1 1 -9  9  5  f 142.6100 3.639028 1737.515       88.62112 1668.518       126.7005 1803.605       124.0015 139.7031 5.310925 145.2588 4.998993 -5.555710      7.293550 
1 1 1 -9  9  6  o 265.2449 4.434315 6012.536       200.8517 5831.354       293.4701 6172.183       275.4772 261.0762 6.582557 268.6422 6.004951 -7.566040      8.910078 
1 1 1 -9  9  7  o 482.9941 5.901686 19951.68       486.7655 20596.73       689.6272 19311.23       687.1603 490.3530 8.235759 474.7589 8.475844 15.59412       11.81811 
1 1 1 -9  9  8  o 246.0791 4.869359 5176.604       204.6202 5243.876       255.4030 5056.036       341.9214 247.5925 6.040690 242.9236 8.242416 4.668854       10.21897 
1 1 1 -9  9  9  o 249.7583 4.638464 5332.440       197.8318 4977.198       248.8612 5942.380       326.0908 241.1963 6.042054 263.4312 7.248857 -22.23488      9.436754 
1 1 1 -9  9  10 o 188.6818 4.909888 3044.127       158.1989 3080.308       219.3834 3004.932       228.3394 189.6755 6.773147 187.3118 7.138611 2.363693       9.840492 
1 1 1 -9  9  11 o 247.1802 4.565069 5223.959       192.6916 5430.533       238.8438 4838.843       326.1163 251.9366 5.551634 237.5499 8.039256 14.38676       9.769866 
1 1 1 -9  9  12 o 219.6315 4.654570 4125.310       174.5726 4205.326       217.8271 3981.639       291.8824 221.6575 5.754763 215.4449 7.933590 6.212631       9.800978 
1 1 1 -9  9  13 o 88.51278 4.593019 671.9135       69.18484 721.4235       86.36012 583.2068       115.5964 91.63506 5.544974 81.98657 8.374119 9.648483       10.04354 
1 1 1 -9  9  14 o 75.70743 4.437462 491.9837       57.11811 550.7876       68.35212 355.8775       103.9891 80.06304 5.024878 63.52704 9.909150 16.53600       11.11038 
1 1 1 -9  9  15 o 345.0669 5.574217 10201.39       328.4650 10191.84       403.1581 10220.23       566.4748 344.6062 6.850944 344.2223 9.636951 0.3838806      11.82397 
1 1 1 -9  9  16 o 119.5320 4.300362 1222.744       87.77910 1188.527       106.5211 1295.145       154.9466 117.7780 5.296264 122.5198 7.441063 -4.741821      9.133446 
1 1 1 -9  9  17 o 250.3229 3.947070 5361.668       168.7242 5147.418       194.4409 6014.730       339.4725 245.1700 4.644280 264.3900 7.518958 -19.21999      8.837650 
1 1 1 -9  9  18 o 88.07947 3.741155 663.8242       56.27071 690.7342       62.46446 547.9607       129.6130 89.82923 4.072052 78.94696 9.826841 10.88227       10.63713 
1 1 1 -9  9  19 o 106.8294 3.606218 976.5791       65.78771 896.5896       74.99705 1243.596       137.0241 102.3141 4.292464 120.0456 6.711067 -17.73145      7.966408 
1 1 1 -9  9  20 o 86.44692 3.609806 639.6143       53.28873 619.7569       58.66068 733.3792       127.4694 85.06869 4.038085 91.75150 8.222865 -6.682808      9.160875 
1 1 1 -9  9  21 o 102.0181 3.909148 891.3843       68.10222 898.0212       80.61832 874.8477       127.2550 102.3354 4.613241 100.3895 7.476678 1.945839       8.785369 
1 1 1 -9  9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  9  23 o 53.23068 5.986514 246.8587       53.47330 204.9923       61.57563 375.2827       107.8448 48.09306 7.761936 64.85988 10.06297 -16.76682      12.70870 
1 1 1 -9  9  24 o 209.4803 4.350860 3764.136       155.6397 3649.823       191.0008 3990.046       268.5053 206.0105 5.429301 214.7700 7.321116 -8.759537      9.114607 
1 1 1 -9  9  25 o 78.68197 6.029465 537.2125       80.39680 551.2021       89.87260 481.1681       179.8829 79.56319 6.676474 71.52937 15.19555 8.033821       16.59759 
1 1 1 -9  9  26 o 148.4538 4.394130 1895.109       111.3951 1787.455       135.7870 2116.673       194.8018 143.8801 5.526568 155.9189 7.316315 -12.03873      9.169046 
1 1 1 -9  9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  9  28 o 103.3772 4.932224 924.5472       87.07018 938.8326       107.8363 897.7892       147.5855 103.6393 6.120255 100.1622 8.715417 3.477028       10.64969 
1 1 1 -9  9  29 o 61.10784 6.783847 332.0760       69.59577 369.1163       80.51384 222.6083       138.4128 64.19602 7.485004 47.28076 15.14761 16.91526       16.89601 
1 1 1 -9  9  30 o 68.92395 5.982422 419.7349       69.71397 372.5858       80.31281 563.8422       140.4079 64.31319 7.450789 77.19370 10.95913 -12.88050      13.25205 
1 1 1 -9  9  31 o 111.5571 4.833524 1086.516       92.07952 994.7938       110.3179 1297.190       167.1913 105.8828 6.127440 119.1655 8.267143 -13.28270      10.29034 
1 1 1 -9  9  32 o 88.46450 5.110505 690.1420       76.87429 684.4627       94.04073 701.5812       133.4648 87.35381 6.347610 86.23524 9.205428 1.118568       11.18177 
1 1 1 -9  9  33 o 41.33208 8.444690 163.9496       57.58996 131.2086       64.29704 296.7794       129.5068 36.22761 10.04378 51.42480 14.25341 -15.19720      17.43667 
1 1 1 -9  10 1  o 176.1857 3.968301 2653.072       119.3925 2685.830       195.6097 2633.623       150.7247 177.1230 6.467158 175.4854 5.029693 1.637680       8.192799 
1 1 1 -9  10 2  o 148.6969 3.551815 1889.361       90.18909 1709.121       142.8237 2008.899       116.3131 141.3284 5.917916 153.2948 4.443235 -11.96638      7.400275 
1 1 1 -9  10 3  o 129.2820 3.772609 1428.320       83.28788 1480.383       131.8303 1393.735       107.4479 131.5360 5.869061 127.6680 4.928487 3.867989       7.663933 
1 1 1 -9  10 4  o 377.7614 5.110922 12203.91       329.6999 11879.23       470.1711 12518.03       462.4566 372.3787 7.393826 382.3121 7.083551 -9.933380      10.23940 
1 1 1 -9  10 5  o 149.4149 3.638784 1907.723       92.84364 1871.924       136.3024 1938.711       126.8121 147.9338 5.395531 150.5720 4.931905 -2.638138      7.309955 
1 1 1 -9  10 6  o 42.87996 5.854471 160.2390       41.74885 184.9552       61.27698 138.8267       57.03461 45.76960 8.138256 39.46346 8.697702 6.306141       11.91139 
1 1 1 -9  10 7  o 127.2147 4.080481 1383.327       88.64422 1413.341       114.8027 1339.012       139.4988 128.5418 5.230051 124.8800 6.564511 3.661858       8.393226 
1 1 1 -9  10 8  o 137.1677 3.698197 1608.019       86.62514 1793.509       140.2763 1493.680       110.1337 144.7696 5.674206 132.1543 4.880191 12.61525       7.484175 
1 1 1 -9  10 9  o 347.1860 4.609231 10308.26       273.2704 11213.20       389.2039 9428.375       383.7786 361.8562 6.298532 331.7332 6.774696 30.12292       9.250298 
1 1 1 -9  10 10 o 309.5727 6.378583 8209.782       337.2010 8233.509       483.1585 8187.250       470.8290 309.4823 9.142223 308.6589 8.932693 0.8234253      12.78176 
1 1 1 -9  10 11 o 78.29252 4.985328 526.6536       66.30555 615.5422       83.49808 374.9196       109.0926 84.58030 5.816387 65.21822 10.12368 19.36208       11.67558 
1 1 1 -9  10 12 o 84.55903 4.471786 613.4235       64.34225 693.0632       78.51778 450.6169       112.2637 89.83128 5.139792 71.73925 9.389246 18.09203       10.70399 
1 1 1 -9  10 13 o 130.5141 3.867367 1456.815       86.19355 1447.735       109.4236 1471.660       139.9127 130.0399 4.927568 131.0029 6.254239 -0.9629974     7.962188 
1 1 1 -9  10 14 o 136.7019 4.076828 1598.831       95.16975 1620.132       120.4446 1563.428       155.2756 137.5284 5.128532 134.9433 6.738295 2.585129       8.467967 
1 1 1 -9  10 15 o 119.2221 4.170239 1216.436       84.90234 1250.574       100.2915 1130.093       159.5008 120.8334 4.860436 114.2437 8.230915 6.589729       9.558860 
1 1 1 -9  10 16 o 110.3959 3.907206 1042.902       73.65823 1037.155       87.78581 1056.573       135.3944 110.0389 4.671715 110.5928 7.208631 -0.5539474     8.590069 
1 1 1 -9  10 17 o 159.4474 3.906689 2176.088       106.3722 2177.682       126.8323 2172.306       195.3152 159.4231 4.658828 158.8412 7.200635 0.5818787      8.576353 
1 1 1 -9  10 18 o 117.7072 3.345561 1185.322       67.24714 1152.177       76.52744 1297.657       140.8863 116.0117 3.862901 122.6050 6.755196 -6.593292      7.781688 
1 1 1 -9  10 19 o 67.66470 3.643503 393.0458       41.94498 401.0787       44.64893 332.6857       122.3908 68.33424 3.841815 60.54025 12.25907 7.793991       12.84695 
1 1 1 -9  10 20 o 121.6534 10.08944 1298.227       207.7091 1271.360       227.1062 1435.659       513.6467 120.0069 11.21197 120.0106 25.82868 -0.3746033E-02 28.15722 
1 1 1 -9  10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  10 22 o 57.39450 4.600256 284.3902       44.70838 258.0354       47.56813 484.0169       130.9169 54.57044 5.166036 73.63679 10.72624 -19.06635      11.90546 
1 1 1 -9  10 23 o 35.78116 6.422623 113.6906       37.80147 123.2076       39.26922 -6.529342      139.5693 37.28978 6.397133 32.06866 13.87353 5.221111       15.27738 
1 1 1 -9  10 24 o 90.20253 4.555265 700.6966       69.94022 687.3202       77.68709 757.9102       160.6681 89.23495 5.119557 92.24432 10.38005 -3.009377      11.57391 
1 1 1 -9  10 25 o 148.1673 4.365392 1887.576       110.4530 1724.971       132.2628 2262.327       200.7894 141.3594 5.479124 161.2098 7.293688 -19.85045      9.122427 
1 1 1 -9  10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  10 27 o 96.41499 4.952874 806.1489       81.27090 769.0530       98.78853 883.8281       142.9539 93.75222 6.205633 99.51953 8.493044 -5.767311      10.51863 
1 1 1 -9  10 28 o 71.13101 5.599928 443.2416       67.47097 451.5682       76.39223 413.7073       143.8727 71.55664 6.316524 65.06231 13.39562 6.494331       14.81017 
1 1 1 -9  10 29 o 39.45894 7.895984 143.5177       51.34782 128.0937       55.87690 227.2583       130.1973 36.94123 8.951536 47.29170 14.63012 -10.35048      17.15139 
1 1 1 -9  10 30 o 100.0626 4.900091 873.8832       83.72939 787.6216       98.45673 1099.273       159.1488 94.22964 6.152422 109.5340 8.577002 -15.30438      10.55544 
1 1 1 -9  10 31 o 78.98321 5.328867 551.5926       71.45371 496.6080       81.95937 725.7752       145.8749 74.29082 6.526608 87.14571 9.982461 -12.85489      11.92670 
1 1 1 -9  10 32 o 59.83388 6.310460 323.8046       63.50528 322.1803       71.61864 329.7798       137.3629 59.17479 7.238313 54.34840 14.52324 4.826389       16.22707 
1 1 1 -9  10 33 o 41.27134 8.454883 164.9538       57.58425 183.8022       64.04819 85.45953       131.5338 43.33284 8.951641 32.99036 13.83947 10.34248       16.48220 
1 1 1 -9  11 1  o 276.4291 5.786257 6543.708       273.1388 6291.685       386.4503 6795.277       386.1031 270.6190 8.362450 281.3067 8.037504 -10.68774      11.59879 
1 1 1 -9  11 2  o 225.6544 4.316803 4354.691       166.3443 4430.080       273.7578 4310.564       209.4442 227.2949 7.053017 224.3996 5.465683 2.895309       8.922933 
1 1 1 -9  11 3  o 142.2373 3.546846 1729.276       86.15050 1572.914       132.7121 1843.156       113.2579 135.5374 5.733892 146.7971 4.518031 -11.25978      7.300008 
1 1 1 -9  11 4  o 259.9670 3.973645 5778.188       176.4043 5734.797       251.2751 5820.355       247.7100 258.8073 5.685529 260.7460 5.563191 -1.938660      7.954516 
1 1 1 -9  11 5  o 108.2904 3.583165 1002.381       66.26110 1039.697       97.97804 970.9291       89.95047 110.2199 5.205550 106.5247 4.944830 3.695297       7.179770 
1 1 1 -9  11 6  o 249.2765 4.274687 5314.191       181.9649 5404.531       229.2096 5160.207       299.2477 251.2724 5.341782 245.2832 7.144321 5.989182       8.920536 
1 1 1 -9  11 7  o 138.4590 3.812171 1639.059       90.13541 1703.193       145.0049 1598.674       115.0666 141.0011 6.022239 136.6812 4.929903 4.319885       7.782757 
1 1 1 -9  11 8  o 213.6381 5.349488 3907.783       195.1609 3933.217       288.2496 3886.257       265.1887 213.9854 7.888288 212.7959 7.297762 1.189453       10.74627 
1 1 1 -9  11 9  o 263.5590 4.326662 5942.429       194.7299 5956.727       278.2331 5928.702       272.6317 263.6121 6.180756 263.0095 6.070200 0.6026001      8.663087 
1 1 1 -9  11 10 o 305.6812 4.709515 7997.776       245.8368 8388.732       349.4020 7614.496       345.9550 312.7091 6.543090 297.8729 6.801219 14.83624       9.437616 
1 1 1 -9  11 11 o 120.7889 3.606350 1247.652       74.38698 1216.465       103.6798 1280.737       106.7872 119.1787 5.094408 122.2851 5.113797 -3.106468      7.218304 
1 1 1 -9  11 12 o 119.7456 3.975368 1226.750       81.29030 1235.486       102.9605 1212.292       132.4564 120.1001 5.020250 118.6559 6.562548 1.444199       8.262563 
1 1 1 -9  11 13 o 235.0909 4.781158 4733.509       191.9424 4778.727       238.2042 4649.793       324.1159 236.0192 5.910173 232.3168 8.169921 3.702423       10.08354 
1 1 1 -9  11 14 o 161.1115 3.961265 2221.383       108.9839 2222.679       135.0955 2218.965       184.4256 161.0592 4.911945 160.6776 6.721464 0.3815460      8.324980 
1 1 1 -9  11 15 o 212.2921 4.698595 3861.594       170.3350 3877.160       206.6497 3828.604       300.8398 212.5450 5.693535 210.5829 8.365851 1.962036       10.11948 
1 1 1 -9  11 16 o 151.8055 5.202021 1976.804       134.8533 1763.542       201.6754 2149.267       181.3608 142.6367 8.315867 158.0445 6.719891 -15.40784      10.69161 
1 1 1 -9  11 17 o 131.7865 4.056287 1487.410       91.28545 1486.392       108.1455 1489.935       170.2490 131.6604 4.810067 131.1796 7.633042 0.4808197      9.022199 
1 1 1 -9  11 18 o 123.1794 3.344188 1298.399       70.34458 1256.510       78.28814 1473.963       160.2735 121.1385 3.784528 130.5236 7.218742 -9.385071      8.150638 
1 1 1 -9  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  11 21 o 171.9796 5.814609 2545.196       170.7652 2440.761       258.2505 2626.337       227.6336 167.2498 9.076178 174.2037 7.652037 -6.953934      11.87142 
1 1 1 -9  11 22 o 85.55209 10.92384 653.0792       155.9477 645.6856       277.4113 656.4952       188.5628 81.43781 20.07570 84.87125 13.45968 -3.433434      24.17016 
1 1 1 -9  11 23 o 47.40943 14.84446 205.4892       133.5855 156.8077       216.1255 235.5851       169.9332 47.47591 18.49912 50.90139 16.81823 -3.425484      25.00141 
1 1 1 -9  11 24 o 91.41816 9.913326 747.7583       152.2785 1200.188       268.9559 534.2979       184.7414 113.6391 14.16732 74.91792 14.96402 38.72118       20.60667 
1 1 1 -9  11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  11 26 o 144.6527 6.442535 1826.415       159.1421 1362.096       262.0471 2097.729       200.3123 120.5012 12.93711 154.3679 7.598864 -33.86675      15.00372 
1 1 1 -9  11 27 o 72.16869 9.383330 476.0972       112.9043 569.4595       246.2472 451.2461       127.0451 71.90977 19.54248 69.35272 11.10183 2.557053       22.47574 
1 1 1 -9  11 28 o 97.64697 7.500778 852.5850       124.1181 1259.221       254.2617 725.3737       142.2135 113.6460 13.35635 88.80991 9.526042 24.83613       16.40541 
1 1 1 -9  11 29 o 43.97432 13.86904 198.5536       116.3826 -238.0833      239.0665 334.1761       133.2369 30.85752 14.91700 56.83216 13.85428 -25.97464      20.35824 
1 1 1 -9  11 30 f 75.36236 10.18787 545.6639       127.7506 731.3345       248.7678 479.1617       148.8813 77.58673 18.94123 68.01280 13.29534 9.573929       23.14166 
1 1 1 -9  11 31 o 46.71370 13.73231 237.6642       116.8145 328.1069       240.5890 209.7659       133.6219 49.75896 19.48209 43.45272 14.91718 6.306248       24.53720 
1 1 1 -9  11 32 o 24.83426 11.40967 -32.82254      110.6230 -218.7815      239.2858 17.72496       124.7551 29.43155 14.38387 28.68845 12.73951 0.7430992      19.21434 
1 1 1 -9  12 1  o 71.29362 5.357589 437.8616       64.74924 449.2506       164.4107 435.7709       70.44201 70.53700 14.14167 71.06064 5.857163 -0.5236359     15.30664 
1 1 1 -9  12 2  o 132.9409 4.864720 1513.087       110.4380 1473.443       145.4051 1567.134       169.7779 131.0491 6.497461 134.8560 7.400693 -3.806870      9.848211 
1 1 1 -9  12 3  o 208.7036 3.872775 3725.406       138.0239 3669.892       205.2890 3771.202       186.4576 206.9222 5.809739 209.8384 5.203471 -2.916229      7.799306 
1 1 1 -9  12 4  o 169.8530 4.080813 2467.998       118.3646 2392.002       152.8327 2581.899       187.1055 167.1027 5.355882 173.4983 6.315234 -6.395630      8.280559 
1 1 1 -9  12 5  o 79.50001 4.340576 542.4206       58.70441 509.4264       88.07249 568.7988       78.74886 76.74230 6.790632 81.26823 5.710687 -4.525925      8.872690 
1 1 1 -9  12 6  o 52.05112 7.255991 237.1715       62.74147 211.8433       92.47707 258.7735       85.40408 48.49105 11.36587 53.97416 9.618630 -5.483101      14.88963 
1 1 1 -9  12 7  o 120.2279 3.747972 1236.287       76.94910 1261.707       111.9443 1213.517       105.9480 121.3468 5.402213 119.0214 5.212739 2.325470       7.507100 
1 1 1 -9  12 8  o 167.5397 3.560768 2400.459       101.8740 2296.910       146.2458 2498.071       141.9914 163.7364 5.230417 170.7948 4.868391 -7.058365      7.145522 
1 1 1 -9  12 9  o 163.6150 3.295932 2288.925       92.08803 2409.235       132.6497 2177.002       127.9421 167.7446 4.630799 159.4485 4.698845 8.296066       6.597230 
1 1 1 -9  12 10 o 155.6109 3.662852 2071.294       97.33327 1859.332       139.7352 2271.059       135.6555 147.2600 5.556729 162.8277 4.878736 -15.56769      7.394546 
1 1 1 -9  12 11 o 90.53103 4.107830 701.4981       63.50557 687.7166       90.82581 714.6801       88.82838 89.31725 5.989550 91.09418 5.739652 -1.776939      8.295680 
1 1 1 -9  12 12 o 279.5587 4.682415 6695.554       223.5346 6203.146       317.3121 7180.665       314.9524 268.5466 6.919347 289.0913 6.379811 -20.54474      9.411660 
1 1 1 -9  12 13 o 266.9041 5.099615 6108.258       232.4313 5959.472       286.5983 6394.165       397.2873 263.3217 6.373605 272.0419 8.551985 -8.720245      10.66580 
1 1 1 -9  12 14 o 107.2482 3.886653 984.6756       71.18159 919.1061       84.28368 1147.779       132.9304 103.5474 4.766530 115.2867 6.782039 -11.73927      8.289503 
1 1 1 -9  12 15 o 50.75800 5.435052 223.6640       46.37738 238.7987       52.96082 173.8882       96.04534 52.36989 6.032290 43.88713 12.31411 8.482761       13.71225 
1 1 1 -9  12 16 o 174.3186 4.201593 2603.500       125.0718 2603.090       152.7007 2604.334       218.0088 174.1570 5.134503 173.7316 7.348409 0.4253387      8.964499 
1 1 1 -9  12 17 o 32.78614 14.21212 -11.01443      147.0487 -19.47172      159.2443 37.94267       383.1386 33.67244 14.69110 53.32806 23.02864 -19.65562      27.31568 
1 1 1 -9  12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  12 19 o 160.0671 4.311404 2196.663       117.8481 2224.282       143.6842 2139.896       205.9944 160.9147 5.228915 157.2876 7.669356 3.627014       9.282271 
1 1 1 -9  12 20 o 141.4197 6.620234 1725.537       159.8767 1326.073       221.6636 2158.660       230.8135 122.5267 10.70142 157.3860 8.620808 -34.85932      13.74186 
1 1 1 -9  12 21 o 117.4912 8.067229 1204.896       160.8765 853.8950       250.7883 1450.330       209.7103 95.74042 15.89704 128.3802 9.636065 -32.63980      18.58950 
1 1 1 -9  12 22 o 40.39021 15.17183 120.8479       141.8671 114.3222       263.9873 123.4978       168.2232 47.82978 19.79750 42.32378 16.36826 5.506001       25.68775 
1 1 1 -9  12 23 o 114.5957 7.921388 1154.908       154.0628 1345.458       240.7508 1022.761       200.4888 121.7025 11.72943 106.2612 11.21834 15.44130       16.23055 
1 1 1 -9  12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  12 25 o 56.77296 11.20951 302.7536       104.8183 150.8280       207.2594 354.9655       121.5019 44.76987 17.90512 61.19458 12.05586 -16.42471      21.58558 
1 1 1 -9  12 26 o 66.61349 9.534375 407.8118       105.3631 659.6844       203.5213 315.5896       123.1508 81.13409 15.24926 56.80663 12.97908 24.32746       20.02490 
1 1 1 -9  12 27 o 46.03109 12.61699 209.6533       102.1281 518.6953       240.4305 141.6165       112.8113 67.11514 19.69294 38.96805 13.68759 28.14709       23.98253 
1 1 1 -9  12 28 o 53.59317 11.81197 284.6141       105.1891 389.4755       240.7327 259.8684       116.9439 56.40836 19.97684 50.25442 13.38684 6.153938       24.04748 
1 1 1 -9  12 29 o 113.5701 7.132885 1165.787       137.6322 1174.370       265.9584 1162.649       160.8443 104.3476 15.38732 112.1743 8.458965 -7.826714      17.55915 
1 1 1 -9  12 30 o 55.06391 11.68948 308.8618       106.5183 315.5779       243.0367 307.2650       118.5066 49.11735 19.47079 53.85985 13.02703 -4.742504      23.42681 
1 1 1 -9  12 31 o 63.29838 11.96811 417.9836       124.6265 327.3955       249.6184 448.0620       143.8362 47.66684 19.43726 63.90973 13.59732 -16.24290      23.72118 
1 1 1 -9  13 1  o 115.2895 4.681604 1138.460       92.16932 1052.526       125.5554 1238.889       135.7329 110.4743 6.686870 119.8938 6.655751 -9.419449      9.434684 
1 1 1 -9  13 2  o 136.2930 4.528986 1590.703       105.4087 1603.391       147.3282 1577.397       150.8758 136.6473 6.313684 135.5097 6.519997 1.137634       9.075955 
1 1 1 -9  13 3  o 49.37330 7.233659 214.0343       59.18021 185.0340       73.04702 269.4276       100.9556 45.40539 9.714596 54.73285 11.17929 -9.327454      14.81047 
1 1 1 -9  13 4  o 120.0685 4.692192 1234.789       96.20704 1064.284       188.7405 1294.643       111.8253 110.3980 10.12435 122.8884 5.328776 -12.49035      11.44108 
1 1 1 -9  13 5  o 118.5580 4.564020 1203.753       92.40178 1344.890       115.3706 951.2447       154.3164 125.2412 5.394436 104.6280 8.716290 20.61325       10.25054 
1 1 1 -9  13 6  o 214.7057 3.784199 3944.324       138.7457 3939.528       199.3914 3948.826       193.1877 214.3337 5.447709 214.6162 5.271267 -0.2824707     7.580488 
1 1 1 -9  13 7  o 113.3483 3.926713 1099.527       76.00567 1119.830       108.8675 1080.222       106.1601 114.2555 5.579806 112.2205 5.539715 2.035065       7.862740 
1 1 1 -9  13 8  o 171.6704 3.559576 2521.216       104.3507 2284.332       149.3535 2747.138       145.8571 163.2054 5.358940 179.0581 4.770144 -15.85271      7.174435 
1 1 1 -9  13 9  o 190.5577 3.816231 3107.632       124.1833 2825.718       180.5729 3360.614       171.0566 181.4299 5.828298 197.9892 5.059372 -16.55928      7.717921 
1 1 1 -9  13 10 o 77.46359 3.852904 513.6157       50.96684 540.0951       74.98876 490.8825       69.48183 79.13422 5.585051 75.44612 5.429324 3.688095       7.789117 
1 1 1 -9  13 11 o 237.2083 3.901327 4816.940       158.0317 4670.822       223.8363 4962.159       223.1464 233.2546 5.619508 240.4614 5.434288 -7.206741      7.817311 
1 1 1 -9  13 12 o 134.6764 3.489930 1552.071       80.26202 1652.790       110.3344 1438.870       116.9714 138.8588 4.653028 129.4874 5.289935 9.371414       7.045146 
1 1 1 -9  13 13 f 88.96374 4.662305 680.3872       70.58330 635.9547       84.24994 784.9985       129.2732 85.84125 5.781065 94.97645 8.046222 -9.135201      9.907694 
1 1 1 -9  13 14 o 45.02745 15.92300 163.0714       152.8899 199.2059       166.6070 -29.65864      384.7751 48.57415 16.65797 51.33123 22.60379 -2.757084      28.07881 
1 1 1 -9  13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  13 17 o 248.0115 4.883213 5279.427       206.8137 5332.083       253.7961 5175.354       356.8044 248.9241 5.970574 244.2403 8.554820 4.683792       10.43229 
1 1 1 -9  13 18 o 87.51569 4.611187 659.0211       68.66972 688.9269       80.37576 578.1937       132.1375 89.37810 5.289680 80.84084 9.769998 8.537254       11.11007 
1 1 1 -9  13 19 o 209.2036 6.434822 3777.058       229.8834 3784.013       351.2479 3771.847       304.0453 207.8935 9.893976 208.2129 8.551234 -0.3193359     13.07725 
1 1 1 -9  13 20 o 106.0737 8.610736 988.3969       154.6269 895.0814       244.9361 1050.228       199.3790 98.13439 15.10010 108.4680 10.91216 -10.33358      18.63031 
1 1 1 -9  13 21 o 108.3209 8.354435 1033.286       153.3430 1002.803       240.1743 1054.263       199.2372 104.0229 13.86590 108.2784 10.92457 -4.255447      17.65246 
1 1 1 -9  13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  13 23 o 63.85089 11.43703 380.0237       120.1246 546.5804       225.3405 313.9026       141.9803 72.89410 18.16760 56.62680 14.59167 16.26730       23.30190 
1 1 1 -9  13 24 o 30.22252 12.12111 51.30892       95.27529 162.4123       199.7798 18.60127       108.3959 44.86361 17.69476 29.18487 12.41811 15.67874       21.61744 
1 1 1 -9  13 25 o 33.77579 12.50234 93.14001       95.64378 -9.262391      197.6284 124.4597       109.2958 35.61122 15.90928 37.48184 13.44051 -1.870621      20.82672 
1 1 1 -9  13 26 o 77.07274 8.481018 541.1619       109.7753 815.7300       209.4879 437.2271       128.8885 90.40734 14.02343 67.39167 11.61932 23.01567       18.21167 
1 1 1 -9  13 27 o 21.45515 10.23186 -109.8031      104.1320 32.31795       189.5307 -171.2537      124.6274 35.57556 15.75461 21.95041 10.64907 13.62515       19.01605 
1 1 1 -9  13 28 o 67.60233 10.71564 445.9573       119.5776 415.3630       207.7001 461.1255       146.2463 57.72741 18.56200 66.58892 13.32632 -8.861507      22.85035 
1 1 1 -9  13 29 o 44.81180 12.57668 211.9950       100.1719 85.08138       202.6155 253.0511       115.2411 37.20778 16.39264 48.37354 13.45896 -11.16576      21.20995 
1 1 1 -9  13 30 o 64.95941 10.00029 416.7603       107.3734 328.1757       209.7259 448.2275       124.9977 48.78696 18.42121 66.03056 11.50358 -17.24359      21.71804 
1 1 1 -9  14 1  o 221.3530 5.121988 4202.156       193.6092 4066.466       273.8133 4337.830       273.7961 217.2321 7.381227 224.4283 7.144105 -7.196136      10.27233 
1 1 1 -9  14 2  o 77.85507 4.345454 520.7991       57.54238 486.6859       83.83891 551.1805       79.12036 74.93548 6.619807 79.90551 5.838845 -4.970032      8.826889 
1 1 1 -9  14 3  o 164.2614 10.71290 2357.901       298.8550 2200.299       410.7263 2535.223       435.6650 156.6761 15.55709 168.3903 15.31825 -11.71414      21.83282 
1 1 1 -9  14 4  o 140.2689 4.595377 1685.985       110.0739 1317.743       234.1698 1790.428       124.7106 122.4115 11.33081 144.4940 5.054193 -22.08245      12.40693 
1 1 1 -9  14 5  o 152.1459 4.662557 1983.869       121.1396 1953.658       156.6627 2028.795       191.0420 150.7858 6.084196 153.4466 7.290709 -2.660812      9.495888 
1 1 1 -9  14 6  o 305.6202 4.796765 8007.090       250.3413 7477.261       356.7033 8521.364       351.4278 294.6395 7.089478 314.7430 6.538499 -20.10358      9.644307 
1 1 1 -9  14 7  o 289.6003 4.505196 7186.753       222.7997 6784.947       319.7893 7565.762       310.5849 280.7879 6.669351 296.6851 6.130315 -15.89716      9.058753 
1 1 1 -9  14 8  o 129.1875 3.787963 1428.708       83.56572 1478.525       120.4621 1382.495       116.0224 131.2478 5.374731 126.9165 5.353302 4.331223       7.585880 
1 1 1 -9  14 9  o 71.24091 4.292802 436.3975       51.98033 469.5066       70.44961 396.8346       77.01031 73.72346 5.638669 67.55647 6.766414 6.166992       8.807891 
1 1 1 -9  14 10 o 132.3731 10.88183 1539.695       243.8042 1425.864       327.5230 1681.156       365.1145 125.4942 15.62139 136.2190 16.00078 -10.72478      22.36186 
1 1 1 -9  14 11 o 187.9860 11.96010 3114.031       381.9431 3202.076       527.4216 3016.943       553.8448 187.9892 16.59999 181.4534 18.11613 6.535767       24.57140 
1 1 1 -9  14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  14 14 o 91.86126 4.942532 726.2917       77.24735 748.2509       93.22275 678.1764       137.9925 93.08923 5.894792 87.84739 9.342018 5.241837       11.04635 
1 1 1 -9  14 15 o 84.31036 4.721513 611.8654       67.70402 570.7493       79.68424 718.6018       128.3876 81.25205 5.780673 90.65289 8.388628 -9.400841      10.18750 
1 1 1 -9  14 16 o 56.45844 5.961327 277.4274       56.60524 312.7978       62.38540 112.6494       134.6521 59.94605 6.183022 39.64882 14.80298 20.29723       16.04239 
1 1 1 -9  14 17 o 129.5991 4.959685 1443.415       109.7635 1449.467       126.1544 1424.559       222.6788 129.7372 5.694242 126.9930 10.35851 2.744240       11.82045 
1 1 1 -9  14 18 o 220.6991 6.478548 4211.888       244.1632 4187.181       371.1833 4230.732       324.1699 218.1842 9.962381 220.1251 8.623851 -1.940857      13.17649 
1 1 1 -9  14 19 o 27.97142 12.29867 -18.98967      113.5321 30.81099       217.3825 -37.66846      133.1317 40.60141 17.43811 29.34711 13.08807 11.25431       21.80334 
1 1 1 -9  14 20 o 68.99587 11.68429 439.7461       132.7525 305.7301       278.1348 479.2834       151.0710 57.12493 21.28542 71.57796 12.83080 -14.45303      24.85354 
1 1 1 -9  14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  14 22 o 144.8277 6.716710 1835.312       166.1155 1961.490       261.9204 1750.406       214.8551 146.8655 10.51307 139.8176 9.047230 7.047836       13.87000 
1 1 1 -9  14 23 o 29.41492 12.09428 39.37634       97.64725 319.9339       244.4606 -13.88516      106.5135 55.08633 20.05276 26.83867 11.85170 28.24765       23.29325 
1 1 1 -9  14 24 o 33.00635 12.43022 86.25692       95.34698 -31.16679      199.1659 121.1700       108.6004 34.67953 15.69063 37.02007 13.38239 -2.340534      20.62242 
1 1 1 -9  14 25 o 92.70241 7.546828 773.3991       118.4326 845.5314       217.4973 742.9969       141.2021 91.23808 14.44042 89.64056 9.362486 1.597527       17.20994 
1 1 1 -9  14 26 o 44.63331 13.96278 209.2069       118.2177 328.6205       242.4478 171.9603       135.4051 51.78408 19.74526 41.17355 14.93384 10.61053       24.75671 
1 1 1 -9  14 27 f 38.01973 12.70702 146.7830       96.92022 26.33641       199.3483 184.0667       110.9110 35.08648 15.80232 41.76969 13.57687 -6.683212      20.83374 
1 1 1 -9  14 28 o 39.52444 12.76857 164.8456       98.19429 246.8087       202.1781 139.5430       112.3330 45.15839 17.80395 37.02882 13.57589 8.129570       22.38940 
1 1 1 -9  14 29 o 33.75971 13.26110 107.5775       111.7807 230.3419       200.7106 52.37979       134.5843 43.03609 17.47533 31.25370 13.57215 11.78239       22.12669 
1 1 1 -9  15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 10 o 146.7649 3.974892 1845.168       99.62068 1868.098       145.2861 1824.821       136.8609 147.4076 5.771678 145.7363 5.499332 1.671387       7.972135 
1 1 1 -9  15 11 o 165.6524 3.880027 2350.609       109.7576 2388.856       154.4807 2311.619       155.9713 166.7362 5.425531 163.9906 5.569598 2.745560       7.775397 
1 1 1 -9  15 12 o 89.68105 4.210264 689.4512       64.47806 624.9032       88.40691 762.8046       94.24425 84.97544 6.133657 93.97025 5.903026 -8.994804      8.512782 
1 1 1 -9  15 13 o 125.4727 4.042537 1349.362       86.61738 1433.082       121.8380 1263.812       123.1637 129.0928 5.526863 121.1605 5.952778 7.932304       8.122917 
1 1 1 -9  15 14 o 79.32903 4.950089 542.7463       66.72269 490.8696       79.55060 665.8295       122.5340 75.19619 6.251739 87.16094 8.334105 -11.96475      10.41833 
1 1 1 -9  15 15 o 76.30848 5.447642 503.8819       70.52122 504.0200       86.46686 503.6076       121.8752 76.05522 6.726994 75.22108 9.715008 0.8341446      11.81668 
1 1 1 -9  15 16 o 87.47240 5.653262 662.7576       83.99287 633.6188       94.21925 775.5544       185.3756 85.31825 6.516171 92.49450 12.02052 -7.176247      13.67309 
1 1 1 -9  15 17 o 130.9742 5.024251 1478.627       112.3723 1554.816       137.3427 1324.337       195.4471 134.0370 6.000381 122.1766 9.441089 11.86043       11.18654 
1 1 1 -9  15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 20 o 72.16125 10.20504 477.0333       122.2461 445.4861       221.1674 490.9112       146.6908 65.04270 18.83137 72.14319 12.35125 -7.100487      22.52052 
1 1 1 -9  15 21 o 59.07416 10.77087 327.0447       104.6517 416.0792       210.1916 297.6994       120.6718 62.36744 18.44518 55.28009 13.00113 7.087353       22.56666 
1 1 1 -9  15 22 o 93.60114 8.634074 792.1454       136.4507 1091.311       262.6015 681.4976       159.7030 104.4839 15.16058 85.14565 11.25992 19.33826       18.88462 
1 1 1 -9  15 23 o 27.31021 11.56088 22.16123       93.13837 245.6548       197.1351 -42.06247      105.6767 48.58735 17.95629 24.89792 11.32952 23.68943       21.23173 
1 1 1 -9  15 24 o 47.61763 12.56987 229.7239       103.7117 147.4980       247.4602 247.2442       114.2278 43.45176 18.63228 49.01819 13.30534 -5.566425      22.89528 
1 1 1 -9  15 25 o 69.80644 10.44668 470.7418       120.7026 516.7183       211.3796 448.4971       147.0307 65.54359 18.22511 65.59575 13.57344 -0.5215454E-01 22.72428 
1 1 1 -9  15 26 o 22.08866 10.21929 -49.39656      90.97904 64.27017       196.7491 -80.31169      102.6081 36.34665 16.07613 22.17196 10.44990 14.17469       19.17400 
1 1 1 -9  15 27 o 39.82016 12.81587 169.6462       98.99349 324.6266       204.0466 121.9393       113.2091 49.47871 18.27180 35.30817 13.48552 14.17054       22.70943 
1 1 1 -9  16 1  o 90.19985 5.021705 700.5659       77.04314 728.4294       130.9534 685.8163       95.27674 91.28457 8.498383 89.02585 6.307974 2.258720       10.58362 
1 1 1 -9  16 2  o 184.9175 4.128949 2930.259       130.3825 3098.389       206.5332 2818.857       168.1171 189.6727 6.376512 181.1278 5.435317 8.544922       8.378697 
1 1 1 -9  16 3  o 52.65551 6.592386 242.5534       57.97810 120.3599       97.02060 310.4285       72.30945 37.88983 12.71335 59.53594 7.262916 -21.64611      14.64170 
1 1 1 -9  16 4  o 91.45274 4.546213 717.2864       70.99837 680.3928       116.0019 739.3848       89.77785 88.36888 7.765931 92.56076 5.707740 -4.191879      9.637841 
1 1 1 -9  16 5  o 182.1275 4.155418 2842.814       129.2386 2796.087       195.3318 2879.196       172.3583 180.1761 6.348540 183.0292 5.514550 -2.853104      8.409175 
1 1 1 -9  16 6  o 114.6714 5.388951 1129.925       105.5265 914.4597       282.5678 1164.846       113.7570 99.09083 17.32996 116.3826 5.723849 -17.29179      18.25076 
1 1 1 -9  16 7  o 128.1804 7.507908 1425.235       163.6226 1425.235       163.6226 0.000000       0.000000 128.1804 7.507908 ?        ?        0.000000       7.507908 
1 1 1 -9  16 8  o 151.8158 4.135544 1975.687       107.2141 2039.567       157.5836 1920.634       146.2923 153.9174 5.995445 149.4149 5.733579 4.502502       8.295739 
1 1 1 -9  16 9  o 72.84879 5.126949 458.2144       63.37315 456.3328       89.99431 460.0654       89.25660 72.26754 7.396618 72.58691 7.299774 -0.3193665     10.39214 
1 1 1 -9  16 10 o 36.44455 8.508444 120.0338       51.99001 62.80716       70.86061 186.7566       76.51442 29.46997 10.78579 45.31814 10.14046 -15.84817      14.80413 
1 1 1 -9  16 11 f 86.38602 4.619463 642.7397       67.89855 632.1754       92.72504 654.9532       99.70001 85.32921 6.410367 86.77698 6.781951 -1.447769      9.332077 
1 1 1 -9  16 12 o 78.45011 4.609868 530.6330       61.48531 616.8666       83.42951 428.1180       90.96511 84.37354 5.826134 69.77308 7.766362 14.60046       9.708770 
1 1 1 -9  16 13 o 68.25177 4.850809 402.8304       56.16850 462.5182       75.85670 330.3856       83.57092 72.89217 6.151594 61.00756 8.231949 11.88461       10.27653 
1 1 1 -9  16 14 o 87.98918 4.886855 668.9456       73.13876 775.2202       96.51629 525.6082       112.0897 94.46512 6.014409 76.93652 8.683541 17.52860       10.56300 
1 1 1 -9  16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  16 17 o 51.68251 7.335033 238.4146       62.91975 248.8076       70.45927 197.4995       139.8007 52.57541 8.108655 45.83677 15.25970 6.738632       17.28029 
1 1 1 -9  16 18 o 97.96268 8.801427 860.6026       145.6653 642.9753       235.1523 996.1054       185.5525 78.90132 17.86777 104.3913 10.55375 -25.48998      20.75184 
1 1 1 -9  16 19 o 76.08186 9.200832 526.3484       117.1102 535.4802       218.1820 522.6528       138.7992 71.15160 17.95630 74.74817 11.22032 -3.596573      21.17367 
1 1 1 -9  16 20 o 38.26524 13.91104 129.2616       117.5906 17.76006       253.8842 159.7140       132.6801 40.35445 18.02988 41.47277 14.81536 -1.118317      23.33606 
1 1 1 -9  16 21 o 38.15268 12.72428 138.3363       97.18818 84.52563       204.7099 153.9944       110.4267 39.74216 16.99151 40.02718 13.56263 -0.2850189     21.74067 
1 1 1 -9  16 22 o 80.21946 9.251006 597.4729       124.4047 560.0920       217.2023 615.7228       151.7643 70.14146 18.03357 79.81874 11.46330 -9.677277      21.36860 
1 1 1 -9  16 23 f 97.37826 7.665318 862.8231       126.4354 1221.312       265.7701 757.9558       143.7435 107.6695 14.84998 89.76294 9.522989 17.90652       17.64112 
1 1 1 -9  16 24 o 33.74401 12.53803 104.3338       96.37105 47.34786       203.1122 120.8898       109.4789 36.14880 16.14047 35.75677 13.34817 0.3920212      20.94489 
1 1 1 -9  16 25 o 58.31637 10.92574 340.2770       104.8055 579.3623       210.4079 261.3834       120.8667 68.58109 17.80821 48.73190 13.86347 19.84919       22.56830 
1 1 1 -9  16 26 o 38.25527 13.13597 157.7345       103.6193 -79.08734      252.5502 205.6705       113.6233 33.32636 15.90458 42.81525 13.72505 -9.488888      21.00793 
1 1 1 -9  17 1  o 39.99524 8.297798 144.4448       54.81525 191.0783       100.0780 124.4586       65.51691 45.46160 12.50162 36.98541 10.09230 8.476189       16.06689 
1 1 1 -9  17 2  o 50.37797 7.023448 224.0054       58.77824 200.7103       94.37572 238.7675       75.12823 46.61289 11.83495 51.58929 8.846313 -4.976402      14.77577 
1 1 1 -9  17 3  o 38.83226 8.162466 136.0790       52.40871 113.5555       76.08253 156.4167       72.29652 35.83054 11.20019 41.34900 10.28216 -5.518459      15.20418 
1 1 1 -9  17 4  o 109.9287 4.161736 1037.234       78.12453 1127.428       124.3613 978.4341       100.4111 114.0251 6.412829 106.4110 5.544962 7.614082       8.477675 
1 1 1 -9  17 5  o 118.7214 4.231667 1210.090       85.79110 1287.043       131.5377 1153.122       113.1760 121.8634 6.342758 115.6288 5.731741 6.234665       8.548885 
1 1 1 -9  17 6  o 73.46729 5.242722 467.1428       65.34195 311.7424       97.50443 593.8231       88.03444 58.73784 10.08408 82.65199 6.284386 -23.91415      11.88201 
1 1 1 -9  17 7  o 115.2621 5.071760 1143.868       99.82683 1045.245       261.6720 1160.666       107.9944 106.0923 14.85044 116.0306 5.450378 -9.938324      15.81905 
1 1 1 -9  17 8  o 66.55451 6.605361 387.4391       74.08003 402.0245       90.50502 357.8300       128.9514 67.43844 8.015932 62.08961 12.59276 5.348824       14.92758 
1 1 1 -9  17 9  o 91.97810 5.534452 732.9084       86.52355 724.6936       112.8734 744.6133       134.7341 90.96900 7.328160 91.75618 8.702953 -0.7871780     11.37732 
1 1 1 -9  17 10 o 23.22861 8.771208 35.40355       47.54975 46.86234       58.99383 14.15511       80.33424 26.13362 9.790093 25.76506 10.81240 0.3685551      14.58609 
1 1 1 -9  17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  17 14 o 117.0953 4.359914 1181.837       87.18050 1336.812       124.1684 1031.162       122.4336 124.0660 5.860792 108.5162 6.638926 15.54982       8.855744 
1 1 1 -9  17 15 o 126.0639 4.772127 1373.822       102.7318 1255.829       119.6805 1704.168       200.2536 120.1644 5.832377 138.3262 8.519059 -18.16183      10.32429 
1 1 1 -9  17 16 o 59.51906 6.431555 313.2662       64.33007 310.1524       73.26495 323.7477       134.4202 58.87945 7.453619 57.34312 13.87700 1.536335       15.75207 
1 1 1 -9  17 17 o 35.67896 10.63265 119.1432       69.64552 92.88757       79.34298 207.2881       145.3772 32.79784 11.48133 45.97392 15.56171 -13.17608      19.33876 
1 1 1 -9  17 18 o 72.04326 9.168840 475.7293       110.2440 259.2549       221.2991 547.1852       127.1439 50.35945 18.94268 76.90690 9.911871 -26.54745      21.37921 
1 1 1 -9  17 19 o 39.60540 12.70740 152.5872       97.38216 265.7105       209.9736 121.5871       109.9185 49.88124 18.51242 36.84716 13.44132 13.03408       22.87747 
1 1 1 -9  17 20 o 65.10781 9.871666 400.3811       106.3132 429.7489       215.5326 390.9384       122.2155 60.19482 18.85694 63.09887 11.77546 -2.904053      22.23163 
1 1 1 -9  17 21 o 109.3202 7.264799 1079.577       134.8487 1443.082       275.8988 965.4855       154.5690 118.4399 13.90570 101.9112 8.973274 16.52867       16.54957 
1 1 1 -9  17 22 o 26.54685 11.40221 19.94332       92.94696 -158.6285      204.8280 66.24947       104.3043 29.55313 14.16299 30.97874 12.59074 -1.425608      18.95038 
1 1 1 -9  17 23 o 70.02194 9.430384 469.4706       109.8951 484.7939       215.7475 464.1020       127.7035 61.13301 18.81996 68.00918 11.39937 -6.876167      22.00310 
1 1 1 -9  17 24 o 30.01841 12.65751 55.25977       110.9439 -58.83454      206.1067 101.8049       131.6429 31.51833 14.84138 34.33198 14.07073 -2.813648      20.45122 
1 1 1 -9  18 1  o 17.24948 7.825837 -27.08806      49.94509 -51.41846      92.58686 -17.10215      59.31554 23.14122 10.55894 19.85589 8.802367 3.285330       13.74674 
1 1 1 -9  18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  18 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  18 7  o 67.74739 5.765416 400.5952       66.06564 324.4463       101.7334 456.1280       86.87733 59.43964 10.40161 71.91530 7.169878 -12.47566      12.63332 
1 1 1 -9  18 8  o 24.18736 9.033380 40.68581       50.15163 8.919237       69.99350 74.20177       71.89495 23.72106 10.03070 30.49759 10.90464 -6.776529      14.81641 
1 1 1 -9  18 9  o 79.14252 5.855076 546.6255       78.56896 495.4482       98.45168 636.3848       130.3840 74.68412 7.836354 84.15108 9.224434 -9.466965      12.10366 
1 1 1 -9  18 10 o 56.55451 6.252459 281.7906       59.37374 233.0446       86.32087 325.5601       81.79602 50.02663 10.44184 60.22745 8.163464 -10.20082      13.25421 
1 1 1 -9  18 11 o 71.19555 6.956644 448.1549       83.49673 547.6993       104.2954 270.4733       139.3407 78.40332 7.897366 52.30624 14.88703 26.09708       16.85207 
1 1 1 -9  18 12 o 55.86140 6.627093 276.7570       61.98446 240.7614       81.41829 326.3817       95.59756 50.99083 9.704891 59.55659 9.736221 -8.565758      13.74696 
1 1 1 -9  18 13 f 18.13389 8.154654 -21.81125      52.84842 -63.61167      70.66956 31.22577       79.60339 18.77917 8.794195 26.72946 10.94675 -7.950285      14.04170 
1 1 1 -9  18 14 o 106.7586 4.388487 985.5688       80.00544 1192.277       113.0952 778.4975       113.1945 116.9320 5.663811 93.67744 7.129529 23.25453       9.105434 
1 1 1 -9  18 15 o 37.93934 8.896510 134.5663       56.63903 131.3255       71.19740 140.1525       93.47517 37.19251 10.66034 38.45900 12.46148 -1.266487      16.39912 
1 1 1 -9  18 16 o 108.6987 4.771655 1026.899       88.57175 1085.170       114.7220 940.9082       139.3613 110.9846 6.076231 102.1326 8.055939 8.852013       10.09053 
1 1 1 -9  18 17 o 59.65236 6.897297 320.0459       68.96441 263.5813       85.57533 424.6606       116.4814 52.69722 9.872305 66.76646 10.56823 -14.06924      14.46202 
1 1 1 -9  18 18 o 61.82536 12.03704 380.3623       122.5120 273.0581       246.5025 415.5622       141.1835 49.02322 19.55356 63.63051 13.41580 -14.60729      23.71341 
1 1 1 -9  18 19 o 19.48306 9.344975 -105.8827      89.59606 186.6616       205.8140 -174.2851      99.52097 43.23567 17.64214 18.55554 9.111306 24.68013       19.85601 
1 1 1 -9  18 20 o 86.54465 8.097996 691.0632       118.2882 501.1633       228.9832 760.1843       138.1486 62.36036 19.42031 89.92226 9.122881 -27.56190      21.45636 
1 1 1 -9  18 21 o 39.89024 13.74458 169.4358       113.4907 283.6651       211.7885 123.4209       134.4197 47.45354 18.36199 36.42515 14.46741 11.02839       23.37667 
1 1 1 -9  18 22 o 30.33710 12.32170 69.95364       99.80962 219.5800       257.5414 43.50895       108.2710 43.19585 18.76646 29.04245 12.38549 14.15339       22.48512 
1 1 1 -9  19 1  o 166.4541 4.342667 2392.238       123.4391 2443.703       214.0538 2366.596       151.0930 166.3912 7.533393 165.0812 5.359751 1.310013       9.245482 
1 1 1 -9  19 2  o 69.31389 4.887733 417.9686       57.48284 438.5693       92.39776 404.9608       73.42119 70.01289 7.864293 67.76791 6.421080 2.244972       10.15270 
1 1 1 -9  19 3  o 120.4928 4.141540 1252.166       85.21669 1270.799       135.9887 1240.119       109.3497 120.2725 6.646960 119.5094 5.358130 0.7630997      8.537660 
1 1 1 -9  19 4  o 42.83912 7.165883 165.3898       50.57022 105.1989       85.58105 197.6819       62.68452 34.64426 11.93557 46.59755 8.175805 -11.95329      14.46726 
1 1 1 -9  19 5  o 27.58489 8.830477 67.15976       47.04598 44.61294       75.74540 81.32061       60.02860 27.53794 10.88462 30.37097 9.993990 -2.833031      14.77683 
1 1 1 -9  19 6  o 105.7623 4.051345 964.5923       73.16983 987.6429       111.4723 947.1425       96.98853 106.1603 6.175662 104.2445 5.467418 1.915756       8.248118 
1 1 1 -9  19 7  o 108.4150 3.997910 1013.541       74.01577 858.0109       111.1851 1137.317       99.18753 98.69920 6.635319 114.5015 5.072756 -15.80228      8.352264 
1 1 1 -9  19 8  o 94.67380 4.555529 775.4268       73.64963 728.0704       115.4603 807.9144       95.63185 90.43555 7.545277 96.06174 5.857745 -5.626190      9.552193 
1 1 1 -9  19 9  f 26.78963 10.06729 52.11324       62.47698 22.98019       84.99622 86.35526       92.14808 26.64029 11.14708 32.94139 12.25620 -6.301105      16.56719 
1 1 1 -9  19 10 o 60.54801 7.552927 329.6575       76.39559 307.3768       89.25457 390.7049       147.7405 57.66877 9.386168 62.48235 14.17230 -4.813583      16.99866 
1 1 1 -9  19 11 o 55.44867 6.702463 274.6029       62.17592 244.8917       81.58826 315.7592       96.02529 51.13311 9.698664 58.05561 10.04978 -6.922497      13.96647 
1 1 1 -9  19 12 o 91.74787 4.699648 732.9221       73.38428 681.2302       99.21710 795.3547       109.0389 87.57996 6.684552 94.60802 6.794438 -7.028061      9.531402 
1 1 1 -9  19 13 o 35.88463 9.843866 122.8669       62.13824 108.3195       72.60332 162.7015       120.1415 33.97547 10.97973 40.80054 14.13682 -6.825073      17.89983 
1 1 1 -9  19 14 o 34.26343 9.084173 111.5570       54.01493 160.2992       78.70865 68.16624       74.26239 40.41364 11.07589 29.26100 10.97977 11.15263       15.59585 
1 1 1 -9  19 15 o 18.55201 8.295929 -15.96665      53.87359 49.01592       83.81513 -61.71508      70.32538 28.12600 11.33750 18.54536 8.712742 9.580643       14.29863 
1 1 1 -9  19 16 o 76.14323 6.377544 519.2069       82.16148 511.2795       107.8615 530.1647       126.8133 74.12806 8.685471 74.34390 10.26251 -0.2158432     13.44457 
1 1 1 -9  19 17 o 25.58237 9.748834 49.36637       59.07973 3.387854       72.13060 143.0847       102.9804 22.84497 9.928307 37.77665 13.08832 -14.93168      16.42788 
1 1 1 -9  19 18 o 21.95605 8.665454 30.24804       47.94159 18.85863       58.30054 54.03360       84.25169 22.14866 9.246778 28.23488 11.37205 -6.086224      14.65696 
1 1 1 -9  19 19 o 49.26229 12.51545 257.7263       105.4943 -78.30994      249.6171 330.7976       116.4005 33.69524 16.00444 56.06674 12.47884 -22.37150      20.29442 
1 1 1 -9  19 20 o 56.44302 12.71391 340.9546       119.6004 92.62018       223.6539 440.4102       141.5378 37.43268 16.80917 63.65011 13.44332 -26.21743      21.52373 
1 1 1 -9  20 1  o 74.45782 4.872165 484.5649       61.60739 612.4350       103.8717 415.1716       76.51941 82.53300 7.450325 68.20790 6.654296 14.32510       9.989345 
1 1 1 -9  20 2  o 49.66153 6.868485 222.2611       56.68901 181.9886       94.11381 245.1929       71.01789 42.90400 12.24301 51.59964 8.344549 -8.695644      14.81630 
1 1 1 -9  20 3  f 136.1589 4.049381 1603.997       94.15350 1513.219       145.7671 1668.983       123.3332 130.8875 6.521681 138.2888 5.222655 -7.401306      8.355145 
1 1 1 -9  20 4  o 24.99038 8.599077 52.92167       44.41509 26.72548       68.87866 71.56713       58.11019 24.71362 10.15903 28.64178 9.836991 -3.928156      14.14115 
1 1 1 -9  20 5  o 97.55045 4.473182 825.8912       74.51569 837.7798       120.0346 818.4370       95.04787 96.70455 7.323031 96.42023 5.799589 0.2843170      9.341414 
1 1 1 -9  20 6  f 111.3438 4.251866 1074.578       80.84393 852.0177       127.8021 1223.042       104.3818 97.20422 7.764081 118.3675 5.164049 -21.16332      9.324610 
1 1 1 -9  20 7  o 28.86757 9.689802 74.41560       56.36058 10.07600       84.60255 125.7524       75.57162 25.28904 10.87062 36.17331 11.13886 -10.88428      15.56421 
1 1 1 -9  20 8  o 89.63097 4.750391 701.5593       72.44970 626.2006       108.6973 761.8008       97.18519 83.14503 7.744721 92.71205 6.173799 -9.567017      9.904367 
1 1 1 -9  20 9  o 73.92545 5.158025 480.2220       64.70666 447.2278       90.71552 514.3965       92.32373 70.12633 7.702136 75.51036 7.248955 -5.384033      10.57687 
1 1 1 -9  20 10 o 52.86538 6.413003 251.1761       56.70913 229.2680       79.05228 274.4030       81.39674 48.92424 9.803678 53.98595 9.156459 -5.061703      13.41465 
1 1 1 -9  20 11 o 39.75184 8.763201 150.0425       57.88561 266.1910       77.50824 3.555538       87.04431 53.25427 8.832482 24.92254 10.86790 28.33173       14.00442 
1 1 1 -9  20 12 o 92.76604 4.380066 749.3727       69.38597 715.0843       104.7292 776.1982       92.63345 89.09060 6.938618 93.55186 5.827406 -4.461266      9.061075 
1 1 1 -9  20 13 o 82.61217 4.856750 599.3365       68.21457 627.7987       99.57150 574.1636       93.64130 83.29758 7.066706 79.71203 6.948754 3.585556       9.910777 
1 1 1 -9  20 14 o 17.78140 7.859110 -8.487234      46.93966 79.76586       64.34254 -108.8940      68.63011 29.60207 10.34052 16.03251 7.806378 13.56956       12.95631 
1 1 1 -9  20 15 o 45.83231 11.85957 217.2277       93.53094 187.2596       125.4168 254.7797       140.3918 41.55253 14.44121 47.26822 15.26730 -5.715687      21.01521 
1 1 1 -9  20 16 o 36.66041 9.803597 133.7221       62.56448 164.4884       85.50099 98.26121       91.79276 39.72417 11.76795 32.51683 12.20601 7.207336       16.95498 
1 1 1 -9  20 17 o 25.28590 9.508897 52.01725       55.75758 19.21382       72.37232 99.92247       87.45896 23.79991 10.13735 32.38755 11.96199 -8.587648      15.67977 
1 1 1 -9  21 1  o 20.95229 8.919066 8.496331       55.96120 -39.84315      92.68076 36.23191       70.20325 22.96337 10.51072 25.45676 10.33584 -2.493393      14.74126 
1 1 1 -9  21 2  o 39.05048 8.565179 144.6523       55.54547 211.8627       86.60925 97.69338       72.39443 46.15031 11.12088 32.29753 10.98126 13.85278       15.62889 
1 1 1 -9  21 3  o 49.41088 6.574344 220.9775       54.09550 52.25471       106.0856 280.2652       62.88566 30.26875 12.54115 55.65017 6.755860 -25.38142      14.24507 
1 1 1 -9  21 4  o 28.41726 10.01399 71.02717       60.41944 -51.14012      97.72202 146.6275       76.87353 23.05063 10.63861 38.43506 11.09482 -15.38443      15.37124 
1 1 1 -9  21 5  o 46.14301 8.056577 198.5808       61.17324 145.4091       93.80352 237.9282       80.69321 38.10154 12.49091 49.65481 9.864132 -11.55327      15.91616 
1 1 1 -9  21 6  o 71.16219 5.631197 449.4277       67.87191 325.2984       110.7092 524.1752       85.91026 56.94363 11.77394 76.32651 6.657912 -19.38288      13.52603 
1 1 1 -9  21 7  o 79.75976 5.161112 561.0097       69.91900 715.9455       105.1546 438.2263       93.61002 89.01771 6.973269 68.84640 8.118439 20.17131       10.70213 
1 1 1 -9  21 8  o 29.03335 9.437373 78.72210       53.58907 145.8397       79.12499 21.84726       72.83760 38.09388 11.32883 24.38553 10.26772 13.70835       15.28949 
1 1 1 -9  21 9  o 34.33897 9.173971 114.3844       54.81786 12.64879       78.09452 213.2013       76.96613 24.23998 10.43231 46.66181 9.962155 -22.42183      14.42490 
1 1 1 -9  21 10 o 74.93050 5.192885 497.0670       66.03625 478.2039       98.85062 512.2699       88.74352 71.61983 8.232158 75.00149 7.010203 -3.381660      10.81256 
1 1 1 -9  21 11 o 76.96043 5.091132 524.3232       66.53091 449.4095       97.09150 590.6370       91.34871 69.16761 8.391926 80.68948 6.689882 -11.52187      10.73215 
1 1 1 -9  21 12 o 21.85543 9.022851 22.17438       54.62909 6.065631       73.59325 41.94463       81.52921 22.99366 10.01074 26.73797 11.02909 -3.744308      14.89483 
1 1 1 -8  0  1  o 73.42007 6.923510 473.1143       85.03096 473.1143       85.03096 473.1143       85.03096 73.42007 6.923510 73.42007 6.923510 0.000000       0.000000 
1 1 1 -8  0  2  o 19.58463 10.40882 47.20713       47.01163 47.20713       47.01163 47.20713       47.01163 19.58463 10.40882 19.58463 10.40882 -0.000000      0.000000 
1 1 1 -8  0  3  o 50.52040 14.41326 265.8513       107.7620 265.8513       107.7620 265.8513       107.7620 50.52040 14.41326 50.52040 14.41326 -0.000000      0.000000 
1 1 1 -8  0  4  o 340.7850 35.11000 10574.65       1993.530 10574.65       1993.530 10574.65       1993.530 340.7850 35.11000 340.7850 35.11000 0.000000       0.000000 
1 1 1 -8  0  5  o 275.5024 29.93448 6877.391       1366.161 6877.391       1366.161 6877.391       1366.161 275.5024 29.93448 275.5024 29.93448 0.000000       0.000000 
1 1 1 -8  0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  8  o 100.2738 21.33286 977.2063       321.0868 977.2063       321.0868 977.2063       321.0868 100.2738 21.33286 100.2738 21.33286 0.000000       0.000000 
1 1 1 -8  0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  10 o 110.5147 7.676808 1059.634       143.2727 1059.634       143.2727 1059.634       143.2727 110.5147 7.676808 110.5147 7.676808 -0.000000      0.000000 
1 1 1 -8  0  11 o 132.5864 6.218642 1512.192       140.0923 1512.192       140.0923 1512.192       140.0923 132.5864 6.218642 132.5864 6.218642 0.000000       0.000000 
1 1 1 -8  0  12 o 238.2065 8.513106 4869.900       345.2898 4869.900       345.2898 4869.900       345.2898 238.2065 8.513106 238.2065 8.513106 0.000000       0.000000 
1 1 1 -8  0  13 o 397.3107 7.887136 13507.77       534.6446 13507.77       534.6446 13507.77       534.6446 397.3107 7.887136 397.3107 7.887136 0.000000       0.000000 
1 1 1 -8  0  14 o 456.1233 8.749966 17805.64       680.9730 17805.64       680.9730 17805.64       680.9730 456.1233 8.749966 456.1233 8.749966 0.000000       0.000000 
1 1 1 -8  0  15 o 338.5959 7.578912 9813.416       437.7226 9813.416       437.7226 9813.416       437.7226 338.5959 7.578912 338.5959 7.578912 -0.000000      0.000000 
1 1 1 -8  0  16 o 134.9865 4.969342 1562.836       114.1967 1562.836       114.1967 1562.836       114.1967 134.9865 4.969342 134.9865 4.969342 0.000000       0.000000 
1 1 1 -8  0  17 o 255.2600 5.925109 5576.498       257.9600 5576.498       257.9600 5576.498       257.9600 255.2600 5.925109 255.2600 5.925109 0.000000       0.000000 
1 1 1 -8  0  18 o 233.1462 4.514697 4648.799       179.5939 4648.799       179.5939 4648.799       179.5939 233.1462 4.514697 233.1462 4.514697 0.000000       0.000000 
1 1 1 -8  0  19 o 149.1956 5.288360 1909.423       134.3506 1909.423       134.3506 1909.423       134.3506 149.1956 5.288360 149.1956 5.288360 0.000000       0.000000 
1 1 1 -8  0  20 o 313.4704 6.157014 8412.514       329.2991 8412.514       329.2991 8412.514       329.2991 313.4704 6.157014 313.4704 6.157014 -0.000000      0.000000 
1 1 1 -8  0  21 o 131.9540 5.841023 1497.964       131.0305 1497.964       131.0305 1497.964       131.0305 131.9540 5.841023 131.9540 5.841023 -0.000000      0.000000 
1 1 1 -8  0  22 o 202.1125 5.712305 3503.289       196.7982 3503.289       196.7982 3503.289       196.7982 202.1125 5.712305 202.1125 5.712305 -0.000000      0.000000 
1 1 1 -8  0  23 o 26.26113 14.82033 79.64560       101.6539 79.64560       101.6539 79.64560       101.6539 26.26113 14.82033 26.26113 14.82033 -0.000000      0.000000 
1 1 1 -8  0  24 o 39.17601 14.85565 179.5200       93.30772 179.5200       93.30772 179.5200       93.30772 39.17601 14.85565 39.17601 14.85565 0.000000       0.000000 
1 1 1 -8  0  25 o 220.6725 20.02620 4412.164       740.3641 4412.164       740.3641 4412.164       740.3641 220.6725 20.02620 220.6725 20.02620 0.000000       0.000000 
1 1 1 -8  0  26 o 35.51112 19.64445 156.6969       174.3170 156.6969       174.3170 156.6969       174.3170 35.51112 19.64445 35.51112 19.64445 -0.000000      0.000000 
1 1 1 -8  0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  28 o 358.1892 7.718849 11049.31       471.6409 11049.31       471.6409 11049.31       471.6409 358.1892 7.718849 358.1892 7.718849 -0.000000      0.000000 
1 1 1 -8  0  29 o 135.9058 6.355312 1596.891       146.7600 1596.891       146.7600 1596.891       146.7600 135.9058 6.355312 135.9058 6.355312 -0.000000      0.000000 
1 1 1 -8  0  30 f 95.46862 7.373583 800.3579       118.5610 800.3579       118.5610 800.3579       118.5610 95.46862 7.373583 95.46862 7.373583 0.000000       0.000000 
1 1 1 -8  0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  32 o 141.3084 6.274347 1735.646       150.7249 1735.646       150.7249 1735.646       150.7249 141.3084 6.274347 141.3084 6.274347 0.000000       0.000000 
1 1 1 -8  0  33 o 41.92834 13.14194 195.8402       82.58495 195.8402       82.58495 195.8402       82.58495 41.92834 13.14194 41.92834 13.14194 -0.000000      0.000000 
1 1 1 -8  0  34 o 44.49451 14.75424 230.4787       99.72935 230.4787       99.72935 230.4787       99.72935 44.49451 14.75424 44.49451 14.75424 0.000000       0.000000 
1 1 1 -8  0  35 o 31.87411 15.38767 143.2179       97.35284 143.2179       97.35284 143.2179       97.35284 31.87411 15.38767 31.87411 15.38767 0.000000       0.000000 
1 1 1 -8  0  36 o 17.50053 11.38067 5.850304       81.80927 5.850304       81.80927 5.850304       81.80927 17.50053 11.38067 17.50053 11.38067 0.000000       0.000000 
1 1 1 -8  1  1  o 173.2741 5.910451 2569.491       174.8864 2575.411       182.6267 2504.069       607.1495 173.4558 6.165576 167.3728 21.75716 6.082993       22.61390 
1 1 1 -8  1  2  o 152.5694 5.155123 1990.925       134.3100 2020.643       146.3274 1831.969       338.4195 153.6814 5.575741 144.9447 13.84082 8.736649       14.92171 
1 1 1 -8  1  3  o 341.3784 19.21396 10210.52       1115.540 10113.93       1932.154 10258.82       1366.258 330.4812 34.75770 339.9640 23.68202 -9.482788      42.05872 
1 1 1 -8  1  4  o 78.77290 11.96226 546.3646       155.8542 475.4392       219.7553 618.1429       221.0728 72.48976 17.86702 83.04141 16.17132 -10.55165      24.09859 
1 1 1 -8  1  5  o 304.4571 21.81136 8199.371       1126.480 8492.824       1593.039 7905.886       1593.129 304.6004 31.06089 292.9535 32.38737 11.64688       44.87450 
1 1 1 -8  1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1  9  o 230.2712 7.301948 4543.604       287.1311 4355.922       948.3403 4562.546       301.2719 219.7389 25.76179 230.7109 7.646956 -10.97206      26.87277 
1 1 1 -8  1  10 o 99.25681 6.207634 846.3085       104.6889 1097.668       234.4387 783.7009       117.0025 112.2203 12.44311 95.39125 7.236567 16.82905       14.39441 
1 1 1 -8  1  11 f 406.1367 6.396782 14109.64       443.6452 14445.16       548.5197 13474.99       754.3989 410.7505 7.820099 396.1553 11.15151 14.59512       13.62021 
1 1 1 -8  1  12 o 152.8538 4.635977 1996.476       121.0095 1931.450       150.2725 2116.420       204.0936 150.3091 5.854534 157.2748 7.599204 -6.965759      9.592886 
1 1 1 -8  1  13 o 395.5396 6.833479 13378.54       461.5659 13032.28       578.5387 13984.87       765.5705 390.2063 8.682329 403.9035 11.09956 -13.69724      14.09195 
1 1 1 -8  1  14 o 257.1438 4.340981 5649.276       190.6189 5584.132       267.7953 5716.183       271.3924 255.5780 6.135889 258.5817 6.146076 -3.003708      8.684664 
1 1 1 -8  1  15 o 91.26691 3.936039 711.5979       61.34436 658.9714       79.02193 791.4099       97.31498 87.64761 5.304642 96.03078 5.963749 -8.383171      7.981575 
1 1 1 -8  1  16 o 263.4393 4.734068 5930.685       212.9693 4599.717       336.9281 6816.296       274.8368 231.7817 8.512480 282.3702 5.699727 -50.58849      10.24447 
1 1 1 -8  1  17 o 64.86734 4.852575 361.6459       53.36331 320.5972       73.67919 406.9357       77.39185 60.78051 7.241231 68.64647 6.686890 -7.865963      9.856466 
1 1 1 -8  1  18 o 386.8507 5.717716 12799.45       377.7182 14014.41       536.3585 11604.08       532.0164 404.5073 7.764740 367.9740 8.466540 36.53333       11.48797 
1 1 1 -8  1  19 o 144.4827 4.000838 1784.256       98.71171 1851.452       143.6416 1724.126       135.8804 147.0981 5.718356 141.9559 5.605332 5.142181       8.007456 
1 1 1 -8  1  20 f 112.5302 3.692789 1082.414       70.96197 1108.434       98.85674 1054.753       101.9243 113.8180 5.086198 111.0140 5.376480 2.803993       7.401078 
1 1 1 -8  1  21 o 276.9804 4.071935 6561.667       192.5980 6506.714       268.4444 6619.959       276.4828 275.5912 5.704100 277.9591 5.824857 -2.367920      8.152651 
1 1 1 -8  1  22 o 69.19134 5.849686 413.4258       68.46960 405.5687       84.32809 428.6271       117.2953 68.30193 7.345441 69.70008 10.15300 -1.398155      12.53151 
1 1 1 -8  1  23 o 143.9365 4.061461 1773.189       99.82867 1809.855       138.6111 1733.676       143.8952 145.2619 5.587846 142.1315 5.928628 3.130386       8.146942 
1 1 1 -8  1  24 o 22.76042 8.993564 25.00138       51.69780 -55.36357      71.58200 112.6229       74.74391 19.77156 9.118208 35.93842 11.07954 -16.16685      14.34915 
1 1 1 -8  1  25 o 154.3309 5.737736 2046.467       151.2152 1819.270       222.0339 2243.006       206.5101 144.5747 9.038799 161.2144 7.501284 -16.63976      11.74603 
1 1 1 -8  1  26 o 84.83125 12.27521 645.6173       172.6530 713.7592       254.1288 587.2018       235.2939 87.27242 17.65831 78.91711 17.87447 8.355309       25.12593 
1 1 1 -8  1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1  28 o 54.24536 9.313998 263.3497       83.17020 294.7247       114.0079 227.6570       121.5997 56.73330 12.13494 49.70909 13.82341 7.024208       18.39411 
1 1 1 -8  1  29 o 152.4080 4.552293 1995.828       118.4786 1868.630       165.6211 2129.143       169.5563 146.9640 6.599373 156.9578 6.326000 -9.993744      9.141663 
1 1 1 -8  1  30 o 121.1770 4.764595 1265.393       98.59344 1130.716       136.2879 1413.257       142.8046 113.7213 7.052794 127.3674 6.588258 -13.64615      9.651272 
1 1 1 -8  1  31 o 79.16626 6.251511 548.8275       83.82602 519.8992       115.5405 580.9767       121.8030 75.99883 9.082720 80.41493 9.025744 -4.416107      12.80468 
1 1 1 -8  1  32 o 93.38207 4.862161 757.5192       77.26643 709.1701       114.1485 798.4058       104.9701 89.26923 7.559006 95.24827 6.492379 -5.979034      9.964415 
1 1 1 -8  1  33 o 51.88560 8.217901 246.4620       70.38699 428.3436       97.28558 46.66830       101.9636 68.55786 8.491453 30.13859 12.37138 38.41927       15.00519 
1 1 1 -8  1  34 o 49.40427 8.655254 228.4107       70.35943 208.0055       96.98916 251.0778       102.2236 45.37217 12.23721 49.97126 12.10672 -4.599091      17.21400 
1 1 1 -8  1  35 o 50.69244 8.172633 240.5614       68.34119 289.2044       101.8902 200.7813       92.14153 53.58368 11.48071 44.21380 11.92860 9.369884       16.55592 
1 1 1 -8  1  36 o 45.08659 11.11915 209.0661       85.07281 242.2623       131.4517 185.1417       111.5946 45.84861 14.76948 41.06246 13.63193 4.786152       20.09893 
1 1 1 -8  2  1  o 367.7207 8.727227 11607.07       548.0199 11767.58       793.1949 11460.47       758.0345 369.1982 12.58109 364.4746 12.17923 4.723572       17.51050 
1 1 1 -8  2  2  o 276.3286 6.212741 6536.828       293.1642 6518.792       413.8325 6554.997       415.3654 275.5837 8.793649 276.3466 8.801856 -0.7628479     12.44190 
1 1 1 -8  2  3  o 254.7057 8.605309 5566.954       374.2889 5440.402       390.9815 6954.805       1294.772 251.7205 9.095692 277.1253 27.73222 -25.40482      29.18575 
1 1 1 -8  2  4  o 86.93993 7.576560 652.7521       111.3603 613.2342       117.4156 1006.510       351.3030 84.15174 8.277845 105.4703 20.24126 -21.31860      21.86851 
1 1 1 -8  2  5  o 226.6435 17.67412 4505.995       678.6353 4549.254       959.7101 4462.732       959.7603 224.5924 25.47379 222.2918 25.76100 2.300644       36.22903 
1 1 1 -8  2  6  o 267.9855 19.74666 6334.542       897.2974 6967.766       1269.017 5701.413       1268.923 277.3127 27.14569 248.7527 30.51181 28.55994       40.83944 
1 1 1 -8  2  7  o 93.97987 7.284007 761.4858       115.9848 1080.537       296.1631 703.6885       126.0534 110.3594 16.19717 90.18781 8.277094 20.17162       18.18952 
1 1 1 -8  2  8  o 69.95483 6.761955 423.0378       79.77038 416.6514       136.9765 426.3153       98.12736 68.51402 12.15252 69.99880 8.375461 -1.484787      14.75913 
1 1 1 -8  2  9  f 105.9818 6.105762 964.3974       110.0351 960.2011       310.9435 964.9981       117.6478 103.5561 18.25027 105.9725 6.532978 -2.416374      19.38433 
1 1 1 -8  2  10 o 142.2429 4.962873 1729.703       120.5496 1870.565       185.8694 1627.429       158.3775 147.8115 7.363727 137.9021 6.725436 9.909393       9.972761 
1 1 1 -8  2  11 f 84.82749 5.237947 617.4152       75.50394 712.1478       110.6838 534.9647       103.2598 90.94998 7.185063 78.67585 7.788066 12.27413       10.59618 
1 1 1 -8  2  12 o 224.3671 4.499021 4301.209       172.3769 4361.144       212.2416 4185.061       295.4612 225.8862 5.502231 221.1625 7.823249 4.723785       9.564402 
1 1 1 -8  2  13 o 156.0145 4.485254 2079.616       119.4962 1868.384       149.2025 2457.496       199.5597 147.8437 5.909780 169.5229 6.893545 -21.67912      9.080003 
1 1 1 -8  2  14 o 322.8804 5.581363 8910.604       307.7400 8390.426       382.0216 9872.086       519.3757 313.2104 7.142492 339.5763 8.956584 -26.36581      11.45581 
1 1 1 -8  2  15 o 183.9333 4.330209 2890.577       136.0101 2690.074       171.5207 3230.216       223.2361 177.3972 5.661973 194.3470 6.726432 -16.94981      8.792204 
1 1 1 -8  2  16 f 261.2371 4.208345 5831.010       187.7362 4126.503       301.5074 6910.299       239.9205 219.5604 8.041593 284.3506 4.940959 -64.79028      9.438235 
1 1 1 -8  2  17 o 324.2088 3.892889 8980.805       215.5255 9078.338       302.9087 8880.799       306.7254 325.8593 5.443517 322.2843 5.573251 3.575012       7.790571 
1 1 1 -8  2  18 o 87.29448 4.575632 653.1720       67.97128 695.0961       101.1738 618.6827       91.76522 89.87537 6.639123 84.79030 6.384531 5.085075       9.210874 
1 1 1 -8  2  19 o 61.87065 5.982337 330.6850       62.41703 342.9299       88.52488 318.5795       88.01931 62.65705 8.492414 60.29929 8.807774 2.357765       12.23511 
1 1 1 -8  2  20 o 258.7285 4.571898 5725.835       201.9960 5997.971       250.6286 5221.398       341.2249 264.6941 5.544783 246.5969 8.103102 18.09720       9.818599 
1 1 1 -8  2  21 o 133.1134 4.310723 1515.952       97.98820 1672.353       156.4554 1415.007       125.6934 139.6277 6.561710 128.5067 5.727759 11.12093       8.709952 
1 1 1 -8  2  22 f 128.4638 4.865144 1413.392       106.7280 1493.020       162.7712 1353.338       141.3565 131.5884 7.271876 125.3693 6.626250 6.219162       9.838058 
1 1 1 -8  2  23 o 31.28199 9.511846 85.11776       55.32576 82.16936       76.19584 88.40567       80.46336 32.37303 11.25589 33.43417 11.57008 -1.061138      16.14193 
1 1 1 -8  2  24 o 302.5460 4.283024 7840.193       221.2809 7794.792       311.2512 7886.592       314.6533 301.1958 6.051460 302.9545 6.082091 -1.758759      8.579744 
1 1 1 -8  2  25 o 129.9285 4.140595 1446.188       91.86904 1282.255       126.9713 1626.301       133.0894 122.1076 6.089209 137.5831 5.664694 -15.47546      8.316684 
1 1 1 -8  2  26 o 11.42869 5.765228 -171.5069      52.85727 -202.7554      109.3628 -161.9824      60.37770 19.88160 9.718188 13.11988 6.553477 6.761722       11.72140 
1 1 1 -8  2  27 o 172.5607 5.010651 2556.627       147.6515 2455.810       181.2659 2755.419       254.5352 168.8559 6.286341 178.2650 8.361415 -9.409164      10.46094 
1 1 1 -8  2  28 o 76.74781 7.386243 514.2359       95.60817 439.6804       141.5503 576.7847       129.6525 69.51894 12.37726 80.74599 9.590343 -11.22704      15.65794 
1 1 1 -8  2  29 o 84.20153 5.683842 614.2167       81.24827 620.8356       111.6744 606.7731       118.4275 84.10851 7.866561 82.96254 8.478414 1.145973       11.56574 
1 1 1 -8  2  30 o 90.01910 5.294485 702.4230       81.02964 763.1931       109.8052 629.7631       120.0676 93.35686 6.937284 84.23293 8.461638 9.123940       10.94190 
1 1 1 -8  2  31 o 60.57156 7.241601 325.9098       73.41901 194.9010       95.44019 515.8217       114.9098 45.28101 12.10821 75.66155 9.074701 -30.38054      15.13139 
1 1 1 -8  2  32 o 81.28022 5.447646 577.1788       75.17536 612.5556       99.51938 530.1680       114.7221 83.10989 7.079661 76.42671 8.960267 6.683174       11.41963 
1 1 1 -8  2  33 o 37.26067 9.770615 131.8223       62.93430 70.14059       89.48612 192.1885       88.52671 30.94338 11.94624 44.38879 11.56331 -13.44541      16.62596 
1 1 1 -8  2  34 o 92.61861 5.667397 758.1042       89.20503 784.4614       131.2353 735.4669       121.6223 92.38953 8.410216 89.72369 8.022508 2.665840       11.62292 
1 1 1 -8  2  35 o 64.38275 7.191098 378.6573       77.71119 304.5587       121.1393 430.4752       101.3024 53.61607 13.29608 67.50047 9.013612 -13.88440      16.06334 
1 1 1 -8  2  36 o 108.8366 5.270786 1050.187       97.96076 1089.673       140.3398 1012.666       136.8027 108.4972 7.623007 104.4722 7.722913 4.025002       10.85143 
1 1 1 -8  3  1  o 484.6483 8.634513 20154.23       714.6058 19555.83       1031.708 20706.05       990.7469 476.0432 12.69137 490.1802 11.83600 -14.13702      17.35401 
1 1 1 -8  3  2  o 258.2136 5.956003 5706.632       262.6249 5764.480       371.0705 5648.573       371.7458 259.2122 8.382992 256.5781 8.484468 2.634186       11.92731 
1 1 1 -8  3  3  o 142.0305 4.460677 1724.787       108.1893 1804.327       148.3678 1634.469       158.1011 145.1883 5.984201 138.1419 6.702052 7.046432       8.984885 
1 1 1 -8  3  4  o 190.4971 6.752556 3108.390       219.6638 3073.583       229.9383 3471.962       743.1493 189.3948 7.109537 197.0499 22.48780 -7.655121      23.58488 
1 1 1 -8  3  5  o 190.2055 5.930555 3096.608       192.6284 3219.280       210.7585 2474.215       474.7279 193.9002 6.365094 167.7929 16.79345 26.10728       17.95924 
1 1 1 -8  3  6  o 158.8669 6.137887 2160.575       166.5153 2178.644       524.7413 2158.552       175.5906 156.3902 20.11497 158.7691 6.476396 -2.378860      21.13186 
1 1 1 -8  3  7  o 92.39020 6.492652 734.4143       101.7847 740.5561       196.2004 732.1527       119.0593 91.76874 12.87421 92.11169 7.638051 -0.3429489     14.96947 
1 1 1 -8  3  8  o 248.8407 7.061855 5302.785       300.0835 5002.483       745.0294 5360.938       327.8539 238.9871 18.39704 250.1342 7.675477 -11.14709      19.93399 
1 1 1 -8  3  9  o 184.4681 5.039766 2909.178       158.7573 3042.025       224.9446 2777.338       224.0913 188.5219 6.987340 180.1143 7.285759 8.407547       10.09481 
1 1 1 -8  3  10 o 323.3130 6.676889 8941.807       368.6372 9539.696       524.9549 8360.144       517.7827 333.6673 9.213115 312.2975 9.709059 21.36975       13.38459 
1 1 1 -8  3  11 o 115.1866 4.220452 1133.569       83.01621 1125.590       116.5322 1141.792       118.2929 114.5889 5.975975 115.4093 6.023158 -0.8204422     8.484734 
1 1 1 -8  3  12 o 197.0718 3.929522 3317.700       132.2410 3298.696       161.4993 3356.370       230.3728 196.4821 4.813329 198.1184 6.809332 -1.636230      8.338774 
1 1 1 -8  3  13 o 376.2245 5.878648 12099.15       377.6821 11682.30       463.9529 12918.07       650.2894 369.5695 7.351496 388.3595 9.805525 -18.78992      12.25532 
1 1 1 -8  3  14 o 652.8762 9.950030 36518.73       1109.321 34474.09       1358.745 40606.04       1921.089 633.6968 12.55609 686.4436 16.38855 -52.74677      20.64558 
1 1 1 -8  3  15 o 682.5045 8.826927 39887.65       1028.767 39916.91       1269.917 39831.78       1754.724 682.2382 10.90028 680.1349 15.10817 2.103210       18.62989 
1 1 1 -8  3  16 f 171.8720 4.176623 2524.031       122.5836 2506.915       157.5367 2550.301       195.1635 171.2473 5.387113 172.6701 6.618803 -1.422806      8.534022 
1 1 1 -8  3  17 f 122.7201 4.219149 1286.984       88.41836 1353.132       113.8365 1186.394       140.3791 125.8034 5.298917 117.5292 7.026667 8.274277       8.800714 
1 1 1 -8  3  18 o 141.6525 3.689826 1714.639       89.25488 1805.444       124.6729 1619.165       127.8375 145.3046 5.024477 137.5867 5.441012 7.717850       7.406077 
1 1 1 -8  3  19 f 287.2534 4.876446 7057.764       239.2052 7199.700       290.2756 6757.424       422.2514 290.0140 5.861242 280.5160 8.814783 9.498047       10.58558 
1 1 1 -8  3  20 o 264.2861 4.276090 5973.906       192.9848 5954.774       273.6903 5992.825       272.1597 263.6342 6.079329 264.4832 6.025928 -0.8489075     8.559793 
1 1 1 -8  3  21 f 182.3281 4.888501 2846.245       152.2058 2759.145       221.7607 2923.820       209.2838 179.2226 7.245861 184.5823 6.639627 -5.359726      9.827875 
1 1 1 -8  3  22 o 206.3595 3.646513 3642.509       128.5003 3829.450       182.0062 3456.711       181.4488 211.4158 5.041349 200.8286 5.290865 10.58728       7.308109 
1 1 1 -8  3  23 o 68.66695 5.130629 406.4918       59.72710 348.5708       83.78426 466.3397       85.16647 63.09706 7.952560 73.31459 6.883209 -10.21753      10.51769 
1 1 1 -8  3  24 o 82.62952 5.208674 588.0970       73.11996 564.7025       98.15916 617.2620       109.5984 80.63754 7.204250 84.23647 7.704395 -3.598930      10.54793 
1 1 1 -8  3  25 o 158.1815 4.264646 2144.149       115.1969 2175.172       154.6729 2105.505       172.6280 159.0972 5.693110 156.3836 6.464250 2.713638       8.613828 
1 1 1 -8  3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  3  27 f 276.2943 4.770739 6551.942       225.0917 6408.668       313.2220 6704.953       323.6917 272.5593 6.729602 278.7586 6.799881 -6.199280      9.566918 
1 1 1 -8  3  28 o 88.11547 6.999147 675.4001       104.4497 1020.201       184.6585 513.1816       126.6588 107.4332 10.18713 75.94542 10.01028 31.48779       14.28227 
1 1 1 -8  3  29 o 95.09985 7.262862 790.2371       117.0559 763.8793       140.9793 848.7423       210.0379 92.92892 8.996496 96.22189 13.12506 -3.292969      15.91239 
1 1 1 -8  3  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  3  31 o 123.9913 4.496027 1326.915       95.19675 1367.955       126.6315 1273.578       144.3612 125.4038 5.913290 120.3431 7.055536 5.060684       9.205846 
1 1 1 -8  3  32 o 21.63659 9.201259 6.209852       59.45126 39.41101       81.27249 -32.00468      87.19292 27.57126 11.14652 23.15075 10.43655 4.420507       15.26979 
1 1 1 -8  3  33 o 82.86429 6.365628 608.6523       89.38782 672.5347       129.1383 549.8910       123.8541 85.63974 8.963136 76.95591 9.635925 8.683830       13.16012 
1 1 1 -8  3  34 o 38.01986 10.77889 142.5472       73.19530 -5.746649      110.4316 258.7420       97.75188 26.97780 11.98259 50.90361 11.51477 -23.92581      16.61843 
1 1 1 -8  3  35 o 70.06971 7.066051 447.3654       83.39474 569.0426       128.6451 359.1697       109.5247 76.79803 10.05054 60.07262 11.08500 16.72541       14.96298 
1 1 1 -8  3  36 o 16.03315 7.889897 -137.8521      75.94823 117.9227       108.8213 -380.7491      106.0465 34.60552 13.22054 14.87341 7.572232 19.73211       15.23553 
1 1 1 -8  4  1  o 116.5124 4.228416 1160.184       84.13019 1166.332       118.4231 1153.919       119.5409 116.6141 5.966782 115.9824 6.056645 0.6317673      8.502084 
1 1 1 -8  4  2  o 157.7919 4.875596 2128.799       131.3755 1874.369       185.0049 2387.611       186.5914 147.9358 7.323321 167.0176 6.542255 -19.08182      9.819986 
1 1 1 -8  4  3  o 178.5188 5.530853 2726.033       168.6079 2832.809       177.6765 1759.413       534.5926 181.9700 5.717791 139.6305 23.23693 42.33951       23.93007 
1 1 1 -8  4  4  f 260.3058 5.592737 5796.396       248.6052 6287.417       351.4802 5304.813       351.6816 270.8916 7.598071 248.7445 8.279313 22.14716       11.23734 
1 1 1 -8  4  5  o 379.2633 5.736559 12305.57       371.5303 12196.95       640.5975 12360.63       456.0699 376.8471 9.954472 379.9250 7.029617 -3.077911      12.18635 
1 1 1 -8  4  6  o 248.5388 5.178168 5282.226       219.7720 5608.201       308.7238 4947.313       312.9278 255.9264 7.064038 240.3186 7.625264 15.60783       10.39448 
1 1 1 -8  4  7  o 270.9155 5.671293 6277.021       262.3722 7353.164       369.8435 5186.715       372.2691 293.0525 7.390447 245.9742 8.862688 47.07822       11.53976 
1 1 1 -8  4  8  o 157.8346 4.752518 2129.211       128.0937 2013.661       195.1448 2216.689       169.7932 153.3783 7.450599 160.9878 6.176260 -7.609482      9.677687 
1 1 1 -8  4  9  o 198.4751 4.961003 3366.675       168.1425 3506.108       237.0583 3225.509       238.5274 202.4550 6.856852 194.1668 7.193851 8.288208       9.938205 
1 1 1 -8  4  10 o 306.1349 7.027216 8015.521       367.3653 7630.402       508.8927 8434.622       530.8698 298.4332 9.985669 313.7746 9.907596 -15.34140      14.06677 
1 1 1 -8  4  11 o 281.7086 5.944941 6783.653       285.9892 6087.289       393.6997 7561.631       416.1314 266.6900 8.644830 297.2726 8.197356 -30.58258      11.91343 
1 1 1 -8  4  12 o 372.2561 6.997283 11850.63       444.8086 11522.55       617.9360 12203.43       640.7953 366.7813 9.865848 377.4533 9.941550 -10.67206      14.00605 
1 1 1 -8  4  13 o 317.1310 4.915660 8594.197       266.2089 8331.301       327.6384 9104.911       456.6582 312.1708 6.146114 326.1799 8.198459 -14.00906      10.24644 
1 1 1 -8  4  14 o 245.8549 4.408356 5164.587       185.0792 5029.372       231.1271 5406.256       308.9933 242.5638 5.579854 251.3941 7.197673 -8.830246      9.107210 
1 1 1 -8  4  15 o 423.0231 6.100407 15301.74       440.6815 14806.61       541.7198 16270.44       757.7256 415.9502 7.626609 435.6339 10.18564 -19.68372      12.72448 
1 1 1 -8  4  16 o 377.2421 5.648011 12168.36       363.8460 12313.48       447.2630 11884.41       625.6245 379.3512 6.904298 372.2744 9.841211 7.076782       12.02160 
1 1 1 -8  4  17 o 55.99013 8.004489 273.9873       74.35445 250.2999       78.54388 478.4303       230.7489 53.31356 8.944019 72.80170 18.51743 -19.48814      20.56430 
1 1 1 -8  4  18 o 132.4079 4.423470 1498.884       100.0182 1593.338       141.9270 1405.697       140.9720 136.4361 6.091633 127.9680 6.472067 8.468163       8.887950 
1 1 1 -8  4  19 o 198.4875 4.893076 3370.513       165.8506 3323.046       241.1188 3413.137       228.4870 196.8620 7.172447 199.5659 6.704604 -2.703979      9.818132 
1 1 1 -8  4  20 o 186.9514 4.102904 2989.390       130.9852 3105.406       162.4986 2774.169       221.3257 190.4650 4.996115 179.7712 7.209578 10.69382       8.771498 
1 1 1 -8  4  21 o 135.6864 3.613818 1574.531       83.73454 1580.182       114.1975 1567.958       123.1451 135.8353 4.923136 135.2737 5.330916 0.5615692      7.256441 
1 1 1 -8  4  22 o 107.6944 3.690274 992.2056       67.86623 926.6843       89.55095 1080.612       104.0210 103.9903 5.042840 112.2634 5.426013 -8.273056      7.407554 
1 1 1 -8  4  23 o 248.7554 4.021392 5297.625       170.8248 5168.608       237.9095 5434.928       245.4314 245.3817 5.677639 251.6159 5.712026 -6.234268      8.053746 
1 1 1 -8  4  24 o 220.4001 3.693035 4158.100       138.9943 4037.317       194.8620 4283.207       198.3189 216.8933 5.261131 223.4141 5.198184 -6.520859      7.395986 
1 1 1 -8  4  25 o 120.2761 11.84363 1281.936       240.1016 1146.515       333.0673 1428.447       346.4370 110.9970 18.20311 124.9200 16.65509 -13.92307      24.67277 
1 1 1 -8  4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  4  27 o 27.40635 10.79031 39.30883       74.16743 22.41760       90.43964 73.99789       129.6058 28.03436 11.59448 36.24978 14.26654 -8.215418      18.38385 
1 1 1 -8  4  28 o 65.47692 7.270921 375.8329       79.92510 290.7440       101.3543 515.7545       129.9715 56.54503 10.89163 75.97495 10.28203 -19.42992      14.97824 
1 1 1 -8  4  29 o 73.37112 6.157802 469.1943       76.43945 433.0011       100.9094 517.9249       117.0896 69.76891 8.655602 76.21307 9.181586 -6.444153      12.61828 
1 1 1 -8  4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  4  31 o 90.76098 5.194185 716.4452       80.16990 831.4652       106.4243 565.5428       121.8995 97.33313 6.439303 79.03471 9.204370 18.29842       11.23321 
1 1 1 -8  4  32 o 36.14417 11.14004 122.8208       75.56802 123.0847       103.7038 122.5220       110.3436 37.05155 13.11270 37.29342 13.48811 -0.2418633     18.81149 
1 1 1 -8  4  33 o 23.77280 10.14152 10.76924       72.63560 95.47762       110.4238 -53.83743      96.43577 34.40679 13.27404 22.97932 10.59262 11.42746       16.98245 
1 1 1 -8  4  34 f 30.87166 11.62948 80.44427       83.46944 104.2722       122.0417 59.50157       114.4144 35.10194 13.83467 31.35074 13.00964 3.751196       18.99076 
1 1 1 -8  4  35 o 18.31536 8.761429 -87.23837      77.58987 92.63053       112.6881 -249.3792      106.9907 33.24516 13.23314 17.47797 8.729396 15.76718       15.85302 
1 1 1 -8  4  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  5  1  o 255.0128 5.831615 5559.693       253.9527 5230.458       358.8375 5890.052       359.4500 247.1694 8.501610 262.3304 8.023943 -15.16104      11.69021 
1 1 1 -8  5  2  o 23.43868 6.108374 48.71409       24.69683 50.23804       34.73863 47.15671       35.11765 24.32211 7.562478 23.79130 7.630713 0.5308113      10.74332 
1 1 1 -8  5  3  o 230.6200 4.355908 4544.795       171.5448 4246.152       291.9804 4702.222       211.9909 222.7261 7.676808 234.5354 5.293062 -11.80927      9.324693 
1 1 1 -8  5  4  o 63.52031 4.087758 346.1797       44.10495 352.7601       68.94002 341.6202       57.38528 63.90223 6.403796 62.98481 5.387179 0.9174232      8.368411 
1 1 1 -8  5  5  o 171.9469 3.958054 2526.074       116.2192 2853.361       188.6276 2325.804       147.5530 182.6668 6.047050 164.9495 5.238359 17.71738       8.000451 
1 1 1 -8  5  6  o 129.6815 3.388426 1436.570       75.03742 1654.020       122.3826 1305.576       94.98699 139.1089 5.151845 123.6061 4.500100 15.50274       6.840498 
1 1 1 -8  5  7  o 203.0599 4.451445 3523.219       154.3572 3751.124       191.0319 3094.540       261.9965 209.4907 5.339974 190.1461 8.068747 19.34460       9.675742 
1 1 1 -8  5  8  o 152.1875 3.441411 1978.360       89.43703 1878.824       111.7689 2155.553       149.1266 148.2903 4.413738 158.8069 5.499003 -10.51657      7.051249 
1 1 1 -8  5  9  o 133.0704 3.545806 1512.554       80.57464 1348.489       96.91828 1879.738       144.9904 125.6304 4.517613 148.2973 5.725376 -22.66690      7.293062 
1 1 1 -8  5  10 o 260.4454 5.035492 5796.340       223.9549 5566.891       319.9101 6016.860       313.6236 255.1233 7.343040 265.2588 6.923681 -10.13551      10.09245 
1 1 1 -8  5  11 o 93.14907 5.543358 744.2084       87.77817 820.7205       133.4923 685.9272       116.5080 97.60610 8.081685 89.21142 7.723959 8.394684       11.17914 
1 1 1 -8  5  12 o 165.1301 5.269498 2330.422       148.5927 2283.052       208.3075 2379.498       212.0254 163.3656 7.466938 166.7814 7.444548 -3.415878      10.54402 
1 1 1 -8  5  13 o 209.7126 5.199069 3758.761       186.1882 3586.969       258.0689 3945.253       268.8836 204.7628 7.380445 214.7486 7.332163 -9.985748      10.40344 
1 1 1 -8  5  14 o 307.6367 5.148211 8089.087       270.4559 7574.571       331.1290 9120.185       468.7563 297.5992 6.515737 326.3729 8.410679 -28.77374      10.63928 
1 1 1 -8  5  15 o 446.9436 5.945728 17082.34       453.7950 17088.79       556.8324 17069.59       783.0532 446.8536 7.297218 446.0934 10.27930 0.7602234      12.60609 
1 1 1 -8  5  16 o 267.6423 5.122813 6124.455       234.1344 6236.640       240.0600 3935.798       1060.328 270.0765 5.205123 207.7708 30.81934 62.30571       31.25580 
1 1 1 -8  5  17 o 480.3467 7.864016 19777.74       645.0615 19405.53       892.8701 20184.11       932.9592 474.9182 11.00950 484.2595 11.28191 -9.341217      15.76358 
1 1 1 -8  5  18 o 266.7403 4.945024 6086.471       225.2470 6083.520       318.2566 6089.433       318.8388 266.4253 6.995199 266.5534 7.004628 -0.1280823     9.899375 
1 1 1 -8  5  19 o 178.8247 4.081585 2734.745       124.6402 2667.784       155.6068 2854.613       208.1945 176.5379 5.161653 182.4585 6.681951 -5.920654      8.443407 
1 1 1 -8  5  20 o 118.8426 4.348499 1208.562       88.24970 1206.098       108.3643 1213.414       152.0677 118.6547 5.348096 118.5842 7.548720 0.7045746E-01  9.251232 
1 1 1 -8  5  21 o 146.7486 3.752330 1842.228       94.03225 1805.537       115.7682 1913.370       161.2030 145.2045 4.668824 149.2953 6.323028 -4.090836      7.859936 
1 1 1 -8  5  22 o 140.3546 3.935040 1686.060       94.31433 1613.466       114.3581 1840.448       166.7717 137.2109 4.880637 146.3092 6.674962 -9.098373      8.268962 
1 1 1 -8  5  23 o 100.8416 4.107270 870.8523       70.72859 748.6606       88.77243 1083.245       117.0380 93.21516 5.602878 112.0990 6.137281 -18.88380      8.310142 
1 1 1 -8  5  24 o 199.7362 3.952923 3416.737       134.8270 3193.593       185.3983 3667.221       196.4278 192.8015 5.631104 206.6186 5.567135 -13.81711      7.918480 
1 1 1 -8  5  25 o 79.55086 13.68237 575.7154       179.1677 493.8804       266.4628 643.2448       242.0548 71.79862 20.63606 82.72401 17.67154 -10.92538      27.16855 
1 1 1 -8  5  26 o 173.7111 4.245073 2586.792       125.9258 2686.439       173.5640 2476.038       182.9808 176.7314 5.751010 169.5412 6.320163 7.190170       8.545091 
1 1 1 -8  5  27 o 90.73194 5.213727 709.9122       80.44173 739.9110       103.6985 664.5842       127.4690 92.36161 6.618629 87.00568 8.695829 5.355934       10.92811 
1 1 1 -8  5  28 o 102.1749 4.841829 897.8666       84.48036 913.2277       107.4846 873.0406       136.6429 102.6383 6.160973 99.80242 8.087132 2.835907       10.16658 
1 1 1 -8  5  29 o 34.28484 10.18729 106.4896       64.00290 88.70538       75.14280 153.4879       122.1550 32.53928 11.18553 41.70382 14.26405 -9.164539      18.12675 
1 1 1 -8  5  30 o 58.07828 7.525568 300.6624       72.88225 319.7847       92.46101 269.2852       118.4389 59.24507 9.457146 52.92343 13.16061 6.321640       16.20615 
1 1 1 -8  5  31 o 87.92612 7.164194 685.1653       106.6338 730.2026       230.4868 672.9002       120.2804 84.68578 16.53127 86.63133 8.229326 -1.945549      18.46631 
1 1 1 -8  5  32 o 54.66350 9.823577 279.9212       88.32906 229.2812       109.2790 375.3574       150.0190 48.01600 13.00584 60.62254 14.65360 -12.60654      19.59285 
1 1 1 -8  5  33 o 59.49791 7.674343 323.1401       76.15553 314.6134       105.2958 332.4926       110.2772 56.70679 11.27067 58.18356 11.50665 -1.476765      16.10686 
1 1 1 -8  5  34 o 29.28489 11.04090 71.16630       75.26792 68.53559       116.2462 73.06536       98.76692 31.97432 13.17702 31.10818 12.38683 0.8661442      18.08500 
1 1 1 -8  5  35 o 63.48397 8.175463 378.4969       86.56996 356.8564       122.3989 400.1584       122.4579 58.10084 12.69168 62.31719 11.94210 -4.216347      17.42678 
1 1 1 -8  6  1  o 129.1810 4.098431 1425.568       90.41035 1425.754       131.3669 1425.401       124.6189 129.1532 5.956332 129.1441 5.650765 0.9109497E-02  8.210301 
1 1 1 -8  6  2  o 442.4058 6.881603 16735.93       519.8911 16840.40       898.1940 16683.29       637.5460 443.1443 11.86924 441.5448 8.455413 1.599548       14.57302 
1 1 1 -8  6  3  o 419.1065 6.515680 15017.70       466.3222 14655.52       805.6675 15200.17       571.8461 413.4491 11.41122 421.5073 7.944603 -8.058167      13.90441 
1 1 1 -8  6  4  o 314.6355 5.183985 8459.792       278.5309 8182.056       466.7308 8613.413       347.1169 309.1750 8.840161 317.4078 6.404071 -8.232849      10.91607 
1 1 1 -8  6  5  o 316.7144 5.314920 8572.306       287.4528 8547.993       496.0243 8584.600       352.7190 315.9827 9.192587 316.8698 6.518476 -0.8870850     11.26917 
1 1 1 -8  6  6  o 365.0501 5.387935 11388.62       335.8742 11465.06       470.7041 11309.33       479.4114 366.1148 7.528852 363.6032 7.721093 2.511627       10.78420 
1 1 1 -8  6  7  o 425.6858 6.481534 15492.40       471.1604 14475.38       666.1534 16510.44       666.4897 411.1691 9.487502 439.1969 8.886531 -28.02783      12.99935 
1 1 1 -8  6  8  o 141.3419 4.137028 1706.656       99.85308 1688.248       122.7281 1742.703       171.7436 140.5578 5.113131 142.7545 7.045128 -2.196655      8.705053 
1 1 1 -8  6  9  o 140.5007 3.706867 1686.241       88.93803 1520.682       107.6380 2042.493       157.8948 133.4070 4.724817 154.5775 5.981629 -21.17055      7.622584 
1 1 1 -8  6  10 f 180.1121 4.522137 2771.738       139.0876 2953.269       203.3228 2612.073       190.6842 185.8533 6.406396 174.7886 6.388513 11.06471       9.047376 
1 1 1 -8  6  11 o 448.0673 6.566472 17167.60       502.4319 17159.74       616.5395 17183.14       866.9050 447.7945 8.062695 447.6055 11.34160 0.1889954      13.91542 
1 1 1 -8  6  12 o 285.1699 6.756579 6955.187       329.0277 6701.182       461.1850 7218.500       469.5590 279.6697 9.656680 290.2828 9.472552 -10.61310      13.52704 
1 1 1 -8  6  13 o 89.24514 5.207551 683.1017       79.01871 428.8162       115.9618 903.5251       107.9650 70.03407 9.978417 102.6043 6.190904 -32.57027      11.74292 
1 1 1 -8  6  14 o 266.7828 6.794916 6089.389       309.5593 6195.176       322.9431 4891.881       1086.546 269.0709 7.028415 233.9474 27.73769 35.12352       28.61430 
1 1 1 -8  6  15 o 345.8730 6.277227 10235.00       370.7545 9813.747       505.9058 10723.74       544.9171 338.3558 8.755766 353.6521 9.023026 -15.29630      12.57293 
1 1 1 -8  6  16 o 358.5019 5.766458 10996.57       353.0226 11052.21       483.8343 10933.22       516.2384 359.0829 7.890417 357.0398 8.467042 2.043121       11.57365 
1 1 1 -8  6  17 o 72.65195 5.204472 453.9002       64.14152 400.9018       74.46030 606.3561       126.2889 68.10981 6.480067 83.54298 8.993979 -15.43317      11.08526 
1 1 1 -8  6  18 o 59.93333 6.130716 310.9380       61.86210 314.1127       75.48068 304.4427       107.9672 60.03496 7.528109 58.42097 11.23029 1.613987       13.52005 
1 1 1 -8  6  19 o 96.50666 4.199579 796.7800       69.20938 789.9026       85.67202 809.6997       117.4234 95.89398 5.251698 96.84638 7.150752 -0.9524002     8.872067 
1 1 1 -8  6  20 o 34.13714 8.186530 104.3632       47.10727 75.64828       55.27875 180.5258       90.02759 29.91978 9.571359 44.76627 11.66057 -14.84650      15.08574 
1 1 1 -8  6  21 o 155.7707 4.040918 2076.782       107.4899 1923.233       132.5152 2372.164       183.7950 149.7855 5.180766 166.1663 6.477220 -16.38087      8.294258 
1 1 1 -8  6  22 o 168.0422 4.031761 2417.667       115.6951 2410.601       141.8325 2431.719       200.0083 167.6798 4.953280 168.0743 6.968590 -0.3944397     8.549633 
1 1 1 -8  6  23 o 150.6484 4.193000 1944.185       107.8677 1805.522       131.4706 2229.788       188.6821 145.0325 5.308373 160.8881 6.867596 -15.85567      8.680017 
1 1 1 -8  6  24 o 219.8578 16.15051 4368.812       602.1151 4605.785       1026.707 4244.585       743.3671 213.6370 28.88334 212.9970 20.69893 0.6399994      35.53439 
1 1 1 -8  6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  6  26 o 82.25279 4.979456 583.1561       69.61185 609.2541       84.58012 528.3611       122.5561 83.91571 5.940722 77.30236 9.482978 6.613350       11.19013 
1 1 1 -8  6  27 o 32.27660 8.062837 94.05056       44.31085 57.05510       53.27265 177.1116       79.82311 26.94292 9.409187 44.00080 10.72176 -17.05788      14.26495 
1 1 1 -8  6  28 o 72.58445 5.923347 458.3890       72.77961 401.9123       85.77879 603.5280       137.5109 67.52489 7.569255 82.07323 10.01947 -14.54834      12.55721 
1 1 1 -8  6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  6  30 o 14.90821 7.413642 -177.0154      73.73367 -233.3925      97.12337 -100.3185      113.2820 17.01377 8.468489 23.58899 11.07452 -6.575224      13.94131 
1 1 1 -8  6  31 o 37.70626 11.44480 134.5100       80.14880 244.7312       105.5870 -15.34726      123.1166 50.08364 12.40917 28.58395 12.67613 21.49969       17.73899 
1 1 1 -8  6  32 o 38.88702 11.20883 146.5766       78.51330 180.0098       101.7056 97.26812       123.5140 42.54895 12.88736 35.49342 13.94049 7.055531       18.98477 
1 1 1 -8  6  33 o 43.81551 18.32969 183.1005       229.7488 0.000000       0.000000 183.1005       229.7488 ?        ?        43.81551 18.32969 0.000000       18.32969 
1 1 1 -8  6  34 o 67.61799 8.126756 424.9608       91.95904 596.5352       126.7693 234.4024       133.5987 79.06066 9.585670 45.89212 14.90015 33.16854       17.71721 
1 1 1 -8  6  35 o 36.51332 11.37561 138.1224       78.55817 142.4878       114.0695 134.1840       108.3473 36.86431 13.65202 36.05145 13.31429 0.8128624      19.06955 
1 1 1 -8  7  1  o 254.8445 4.539289 5548.793       197.5445 5656.908       335.7416 5491.545       244.3096 257.1653 7.645236 253.4825 5.644047 3.682739       9.502889 
1 1 1 -8  7  2  o 73.10868 3.352156 456.5199       41.84996 380.0009       65.77491 508.5669       54.24672 66.41977 5.859148 77.04568 4.138247 -10.62592      7.173193 
1 1 1 -8  7  3  o 88.02720 3.685214 661.8918       55.39639 622.2401       91.20139 685.0741       69.73445 85.08130 6.322372 89.42808 4.581760 -4.346779      7.808003 
1 1 1 -8  7  4  f 460.5166 6.984926 18135.01       549.2993 17993.77       911.7518 18215.48       688.2203 458.1040 11.65495 461.3411 8.735814 -3.237030      14.56545 
1 1 1 -8  7  5  o 184.4735 3.489624 2906.734       109.9296 3084.529       159.7443 2746.796       151.5102 189.9957 4.923563 179.2920 4.948561 10.70375       6.980668 
1 1 1 -8  7  6  o 336.2747 4.652830 9661.831       267.1857 9557.098       381.8997 9762.244       373.9414 334.3243 6.689281 337.9082 6.480415 -3.583923      9.313552 
1 1 1 -8  7  7  o 275.2197 4.208808 6471.150       197.8065 6685.704       279.6293 6256.255       279.8523 279.6696 5.855114 270.5278 6.057802 9.141846       8.424923 
1 1 1 -8  7  8  o 310.5936 4.571085 8242.543       242.4453 8489.428       340.9527 7990.028       344.8188 315.1091 6.336235 305.6825 6.605693 9.426605       9.153308 
1 1 1 -8  7  9  o 284.8017 4.900444 6931.379       238.3306 6864.490       296.4272 7053.674       400.8149 283.3576 6.126060 287.0896 8.175693 -3.731964      10.21619 
1 1 1 -8  7  10 o 385.3347 5.856203 12693.74       385.3506 12496.94       478.4078 13057.31       650.2543 382.2010 7.330010 390.3827 9.754180 -8.181763      12.20136 
1 1 1 -8  7  11 o 434.9362 6.499457 16178.32       482.7303 16541.95       600.3340 15513.06       812.0072 439.6124 7.996890 425.2193 11.18266 14.39310       13.74780 
1 1 1 -8  7  12 o 75.85663 4.294024 493.2651       55.39544 519.7475       63.56533 409.6498       112.9495 77.83501 4.805883 68.41726 9.959853 9.417747       11.05872 
1 1 1 -8  7  13 o 436.6794 8.248578 16333.35       615.0970 16291.61       628.5048 17280.52       2993.874 436.0886 8.439796 431.6663 41.11141 4.422272       41.96878 
1 1 1 -8  7  14 o 280.3585 4.824472 6719.727       230.9753 6795.910       282.9547 6567.583       399.8662 281.8565 5.878777 276.8019 8.459479 5.054565       10.30159 
1 1 1 -8  7  15 o 169.4981 3.923929 2455.469       113.5764 2316.791       140.6756 2715.103       192.4848 164.5909 5.005082 178.0922 6.329211 -13.50134      8.069061 
1 1 1 -8  7  16 o 171.8918 3.978751 2525.855       116.7895 2375.165       145.4531 2799.293       195.9340 166.6198 5.112043 180.7878 6.346563 -14.16803      8.149346 
1 1 1 -8  7  17 o 217.8315 4.141037 4057.902       154.0394 3947.595       187.3568 4288.011       270.6051 214.7617 5.108703 223.5814 7.087586 -8.819656      8.736860 
1 1 1 -8  7  18 o 96.48869 3.990052 796.3225       65.74412 786.9960       79.10186 817.1576       118.2290 95.75952 4.853154 97.29324 7.166504 -1.533714      8.655166 
1 1 1 -8  7  19 o 105.1795 4.244385 946.7489       76.23384 937.1577       94.19237 964.9611       129.7956 104.4453 5.298455 105.7127 7.233503 -1.267334      8.966448 
1 1 1 -8  7  20 o 179.9679 4.123877 2772.223       126.7368 2581.219       156.2426 3139.660       216.7059 173.5225 5.272807 191.1510 6.638839 -17.62856      8.478011 
1 1 1 -8  7  21 o 86.63889 3.863585 642.4894       57.16171 604.9207       67.33516 739.4090       108.1518 83.88553 4.719776 92.44478 6.900669 -8.559250      8.360353 
1 1 1 -8  7  22 o 225.1291 4.190163 4341.393       161.0884 4120.914       195.9021 4801.747       283.0743 219.1411 5.234959 236.0815 7.021606 -16.94046      8.758296 
1 1 1 -8  7  23 o 64.20013 5.284974 356.2572       57.42559 280.2753       68.76923 531.2930       104.3765 56.53889 7.292704 77.99888 7.947346 -21.45998      10.78628 
1 1 1 -8  7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  7  25 o 123.2763 4.125441 1302.598       86.84641 1210.080       106.7316 1483.875       149.4005 118.6736 5.266677 130.9954 6.701168 -12.32172      8.523118 
1 1 1 -8  7  26 f 82.76154 4.745423 590.0726       66.78643 607.6906       83.47239 558.7296       111.3360 83.79752 5.870310 79.79288 8.291995 4.004646       10.15961 
1 1 1 -8  7  27 o 158.9032 4.317728 2168.851       117.1628 2030.992       141.4417 2470.258       209.1391 153.5138 5.395455 168.6705 7.260963 -15.15674      9.046133 
1 1 1 -8  7  28 o 59.80423 7.165035 316.0962       71.71638 364.7695       89.88110 230.8127       118.9748 63.90904 8.442432 49.27461 13.66302 14.63443       16.06091 
1 1 1 -8  7  29 o ?        ?        -234.4813      55.93275 -344.1860      69.56509 -33.87214      94.07066 ?        ?        24.24444 10.89322 0.000000       10.89322 
1 1 1 -8  7  30 o 62.97601 8.294961 358.2645       87.03481 460.0082       103.4097 111.1230       161.1686 71.30760 8.670713 39.53834 15.79759 31.76926       18.02068 
1 1 1 -8  7  31 f 124.7975 5.226604 1356.549       111.3852 1319.416       134.5202 1437.528       198.6534 122.2863 6.464777 125.5078 9.335593 -3.221474      11.35547 
1 1 1 -8  7  32 o 80.75970 6.428232 581.2227       87.91798 587.0784       111.8846 571.7705       142.1492 80.07524 8.302874 77.04718 11.12641 3.028061       13.88289 
1 1 1 -8  7  33 o 50.83089 9.970474 250.9141       83.45367 177.6524       109.8938 350.7225       128.2678 41.20898 13.52032 57.85932 13.26519 -16.65034      18.94108 
1 1 1 -8  7  34 f 60.01546 12.30992 374.5032       121.9269 429.7555       138.4084 183.0689       257.6306 63.58426 13.17992 42.47697 18.60512 21.10728       22.80046 
1 1 1 -8  8  1  o 90.33798 4.252652 697.2398       65.60428 674.2761       108.5895 710.4391       82.32733 88.49083 7.249637 91.01791 5.319976 -2.527077      8.992185 
1 1 1 -8  8  2  o 516.6925 7.884394 22843.00       695.6686 22647.21       1155.169 22954.41       871.4069 513.5043 13.17344 517.6436 9.857986 -4.139343      16.45356 
1 1 1 -8  8  3  o 389.8092 6.297681 12991.56       419.2129 13403.23       694.6656 12755.77       525.7364 395.4933 10.28572 386.0988 7.973844 9.394531       13.01454 
1 1 1 -8  8  4  o 143.9400 3.812004 1769.908       93.69937 1605.684       133.8767 1927.597       131.1861 137.0570 5.720078 150.1855 5.115145 -13.12848      7.673591 
1 1 1 -8  8  5  o 209.8245 3.728095 3760.914       133.5811 3959.060       192.5827 3577.186       185.4440 215.2305 5.239762 204.5846 5.308084 10.64581       7.458610 
1 1 1 -8  8  6  o 183.9855 3.610984 2891.607       113.4517 2901.353       163.3734 2882.529       157.6686 184.2500 5.192444 183.6568 5.027316 0.5932159      7.227405 
1 1 1 -8  8  7  o 496.0999 6.077480 21042.32       514.8665 23419.58       733.2608 18730.45       723.1075 523.0841 8.208900 467.6715 9.054408 55.41260       12.22163 
1 1 1 -8  8  8  f 482.3004 5.913881 19887.56       487.0709 20958.43       691.6697 18834.15       686.0097 494.8157 8.185654 469.0131 8.565315 25.80261       11.84777 
1 1 1 -8  8  9  o 170.3228 4.153631 2478.651       120.8100 2435.720       175.4617 2517.348       166.5858 168.7750 6.087967 171.5959 5.684983 -2.820923      8.329608 
1 1 1 -8  8  10 o 250.2894 4.602981 5353.605       196.7359 5359.608       243.8359 5342.408       333.0139 250.3696 5.703140 249.8175 7.806162 0.5520935      9.667574 
1 1 1 -8  8  11 o 119.4202 4.405811 1218.759       89.84740 1240.624       95.94721 1063.018       256.0728 120.4801 4.663533 110.2373 13.91278 10.24285       14.67359 
1 1 1 -8  8  12 o 108.8799 4.005049 1013.054       74.46590 995.2831       92.51429 1045.752       125.4916 107.8947 5.021190 110.3385 6.691794 -2.443787      8.366150 
1 1 1 -8  8  13 o 374.5987 5.820246 12005.98       372.3141 11540.49       519.4399 12497.78       533.9221 366.8773 8.291107 381.8100 8.188957 -14.93274      11.65339 
1 1 1 -8  8  14 o 90.82873 4.724188 707.4042       73.02153 685.6757       88.97227 752.2428       127.8103 89.31451 5.866137 93.30104 8.102355 -3.986534      10.00299 
1 1 1 -8  8  15 o 79.00098 4.163182 535.1240       55.96597 476.2713       64.90126 705.8094       110.5270 74.42979 5.137735 90.44266 7.216455 -16.01286      8.858529 
1 1 1 -8  8  16 o 356.7415 4.716068 10889.70       287.3000 10678.56       332.0427 11518.63       573.0642 353.1280 5.506299 365.8033 9.173893 -12.67535      10.69952 
1 1 1 -8  8  17 o 81.51756 3.621041 568.2274       50.40649 544.6442       56.76841 656.1083       109.5854 79.67859 4.186858 87.07383 7.441391 -7.395241      8.538389 
1 1 1 -8  8  18 o 93.97537 3.621529 755.3306       58.11765 721.7388       65.82498 874.1052       123.7760 91.83521 4.197392 100.5820 7.255028 -8.746834      8.381738 
1 1 1 -8  8  19 o 99.09566 4.128103 840.5331       69.85655 833.7831       83.61569 856.1318       127.1114 98.51623 4.986486 99.44611 7.541184 -0.9298782     9.040714 
1 1 1 -8  8  20 o 227.2497 3.997951 4420.973       155.1468 4314.592       188.1137 4647.255       274.3544 224.3495 4.910134 232.3877 6.913483 -8.038193      8.479720 
1 1 1 -8  8  21 o 71.09744 4.403896 434.7628       53.20470 415.4167       59.47491 512.2744       119.0474 69.40981 5.052451 76.31743 9.328914 -6.907623      10.60924 
1 1 1 -8  8  22 o 112.0109 3.994090 1074.661       76.39763 1057.543       92.49597 1111.406       135.5206 111.0287 4.878494 113.3204 7.037974 -2.291763      8.563457 
1 1 1 -8  8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  8  24 o 189.6671 4.190670 3083.512       135.7305 2973.530       167.7410 3292.090       230.9997 186.0419 5.279912 195.3216 6.925628 -9.279785      8.708719 
1 1 1 -8  8  25 o 166.8082 4.106602 2385.601       116.9774 2353.218       144.6365 2446.840       198.8980 165.4838 5.118236 168.2995 6.920628 -2.815704      8.607638 
1 1 1 -8  8  26 o 81.04774 5.026460 567.2365       69.22413 547.5690       80.89402 621.0342       133.7901 79.43274 6.008118 83.65396 9.536018 -4.221222      11.27090 
1 1 1 -8  8  27 o 135.3522 4.805051 1578.322       111.0620 1630.539       134.9309 1468.626       195.5686 137.3072 5.754613 128.8757 8.941718 8.431488       10.63343 
1 1 1 -8  8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  8  29 o 95.33329 5.135321 789.9823       83.29320 711.8097       103.7172 931.9750       139.7837 89.87391 6.808511 102.2898 8.067933 -12.41589      10.55686 
1 1 1 -8  8  30 f 144.5422 4.643614 1810.514       114.6180 1906.849       142.6389 1634.947       192.5600 147.8156 5.650876 134.8956 8.400911 12.91997       10.12461 
1 1 1 -8  8  31 o 105.3711 5.049369 968.3612       90.85745 985.6229       110.4537 932.2399       159.7792 105.6096 6.151196 100.4606 9.423847 5.149040       11.25372 
1 1 1 -8  8  32 o 70.04354 7.092167 444.4843       83.66061 444.5657       105.4121 444.3456       137.5159 68.74864 9.210453 66.20815 12.62373 2.540497       15.62661 
1 1 1 -8  8  33 o 61.52528 8.104143 352.5570       83.07368 389.2393       97.57492 255.9200       158.3733 63.95994 9.198264 47.00417 16.23416 16.95577       18.65894 
1 1 1 -8  8  34 o 45.42214 9.883735 205.8473       74.48501 207.2822       84.83197 201.0181       155.6292 44.74521 11.14423 41.59134 15.82903 3.153873       19.35851 
1 1 1 -8  9  1  o 517.8176 7.398726 22945.65       654.2379 23508.86       1132.072 22663.23       801.6646 523.0005 12.67565 514.3200 9.127615 8.680481       15.62003 
1 1 1 -8  9  2  o 231.8206 4.339338 4592.042       171.7820 4350.166       280.0264 4737.986       217.5187 225.4780 7.272654 235.4261 5.410532 -9.948166      9.064510 
1 1 1 -8  9  3  o 330.7235 4.704518 9347.322       265.6942 8462.552       377.2587 10218.06       374.2560 314.5107 7.024281 345.6596 6.340422 -31.14883      9.462636 
1 1 1 -8  9  4  o 53.90496 3.948803 249.5886       36.09635 194.9029       49.73775 310.4414       52.46745 47.32314 6.312133 60.04433 5.167344 -12.72118      8.157479 
1 1 1 -8  9  5  o 295.9154 4.384970 7482.542       221.5828 7623.423       311.5046 7338.244       315.2599 298.5775 6.109497 292.9253 6.302457 5.652191       8.777637 
1 1 1 -8  9  6  o 533.2932 6.840494 24331.00       622.9532 24668.47       882.7211 23996.16       879.2670 536.4594 9.635733 529.0779 9.731936 7.381470       13.69518 
1 1 1 -8  9  7  o 81.61990 3.952230 569.1954       55.08588 718.8022       82.00422 446.1750       74.36169 91.54567 5.267840 71.97144 6.108120 19.57423       8.065932 
1 1 1 -8  9  8  o 397.7965 5.403168 13529.57       367.0383 13403.71       520.5002 13654.05       517.6525 395.6647 7.703563 399.3585 7.590556 -3.693756      10.81487 
1 1 1 -8  9  9  o 69.51692 4.718270 414.9865       55.67962 498.6054       69.62415 266.6225       92.74109 76.17193 5.387328 54.85619 10.27788 21.31573       11.60423 
1 1 1 -8  9  10 f 392.6195 5.846447 13186.89       391.9817 13877.83       657.2390 12805.45       488.3398 402.1319 9.570901 386.6786 7.395542 15.45334       12.09530 
1 1 1 -8  9  11 o 45.92702 8.848884 187.0500       66.88289 162.8675       100.9010 206.0026       89.32647 43.15146 12.78403 47.98634 11.11860 -4.834881      16.94269 
1 1 1 -8  9  12 o 287.6581 4.742098 7076.311       232.9427 7190.645       289.2490 6865.310       392.9409 289.8548 5.843720 282.9064 8.133595 6.948395       10.01521 
1 1 1 -8  9  13 o 275.6734 4.772642 6500.469       224.6755 6542.119       274.6534 6416.220       390.6234 276.4341 5.818236 273.3711 8.367656 3.063080       10.19164 
1 1 1 -8  9  14 o 43.79801 5.332175 166.6292       39.05750 149.7726       41.68659 287.7623       111.7488 41.37545 6.081448 56.64796 11.92895 -15.27251      13.38969 
1 1 1 -8  9  15 o 281.8822 4.738757 6800.473       228.1046 6613.192       278.9945 7178.077       396.1571 277.7957 5.881231 288.9619 8.028326 -11.16623      9.952030 
1 1 1 -8  9  16 o 220.8274 3.899442 4171.333       147.0474 4114.669       169.7238 4341.899       294.4690 219.2518 4.533126 224.7060 7.674021 -5.454178      8.912903 
1 1 1 -8  9  17 o 192.6209 3.404350 3172.881       111.9798 2998.963       127.5827 3756.325       233.6785 187.2130 3.990745 209.1470 6.542825 -21.93399      7.663850 
1 1 1 -8  9  18 o 129.1327 3.319853 1426.144       73.20773 1396.896       83.09769 1527.544       154.7255 127.7682 3.808589 133.1179 6.829485 -5.349625      7.819668 
1 1 1 -8  9  19 o 141.0957 3.292108 1702.875       79.32131 1657.336       89.35641 1872.148       172.2765 139.1581 3.760236 147.5024 6.839510 -8.344223      7.805017 
1 1 1 -8  9  20 o 77.46638 3.536549 513.5588       46.78373 511.4477       51.63228 523.2424       110.5801 77.18703 3.930195 77.32308 8.515825 -0.1360474     9.379004 
1 1 1 -8  9  21 o 110.3533 3.878022 1042.904       73.07982 943.5319       86.88697 1283.188       135.1093 104.8756 4.851524 121.9064 6.513762 -17.03076      8.121969 
1 1 1 -8  9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  9  23 o 63.67642 5.077281 350.3427       54.75032 294.4250       62.86110 526.0583       111.4326 58.11033 6.443168 77.41872 8.572668 -19.30839      10.72404 
1 1 1 -8  9  24 o 101.5220 4.190708 883.7668       72.65233 847.0127       87.37723 966.0956       130.7740 99.14527 5.178861 105.4479 7.307491 -6.302612      8.956564 
1 1 1 -8  9  25 o 198.1312 4.742781 3373.861       160.4678 3454.020       198.5104 3222.718       272.5851 200.1443 5.808153 192.3501 8.298660 7.794220       10.12928 
1 1 1 -8  9  26 o 154.5366 4.626147 2055.352       122.0823 1923.684       147.8083 2337.987       216.5569 149.1668 5.802629 163.6544 7.748941 -14.48763      9.680733 
1 1 1 -8  9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  9  28 o 98.89808 4.785120 845.6105       80.81326 827.8564       97.96050 883.4344       142.9831 97.36603 5.919809 99.44607 8.501371 -2.080040      10.35941 
1 1 1 -8  9  29 o 140.2384 4.523028 1701.952       108.3174 1698.559       133.8301 1708.395       184.4308 139.5952 5.614114 138.4742 7.831526 1.121078       9.635927 
1 1 1 -8  9  30 o 65.52802 5.697907 378.5964       63.12474 352.1881       74.72466 444.4047       117.9597 62.63626 7.112218 68.72118 10.37479 -6.084919      12.57855 
1 1 1 -8  9  31 o 31.97481 8.984664 97.11543       51.09127 98.08811       59.09083 94.23483       101.6899 32.12848 9.842422 33.46554 12.78120 -1.337059      16.13172 
1 1 1 -8  9  32 f 40.30897 8.824319 155.7460       59.05681 150.1604       66.87741 175.5259       125.8512 39.06995 9.986036 40.84774 14.44638 -1.777794      17.56186 
1 1 1 -8  9  33 o 16.58944 7.714988 -38.11964      52.87795 -32.79403      58.88024 -60.31811      120.2115 18.02601 8.297374 24.80698 11.56852 -6.780964      14.23647 
1 1 1 -8  10 1  o 162.8910 3.851866 2267.411       107.1445 2256.724       172.8390 2274.081       136.5467 162.3965 6.232512 163.0880 4.902947 -0.6914978     7.929886 
1 1 1 -8  10 2  o 205.9492 3.890777 3624.552       136.8354 3582.900       222.4978 3649.889       173.5322 204.6192 6.367623 206.6162 4.918287 -1.996964      8.045878 
1 1 1 -8  10 3  o 118.1685 3.440214 1193.041       69.42071 1173.705       100.4120 1210.746       96.08246 117.1644 5.018665 119.0080 4.727877 -1.843620      6.894912 
1 1 1 -8  10 4  f 233.8192 3.760328 4671.630       150.1439 4655.685       216.1813 4686.489       208.6881 233.3221 5.425756 234.1068 5.220135 -0.7846222     7.529186 
1 1 1 -8  10 5  o 334.4707 4.455198 9562.465       254.4644 9449.654       365.1253 9669.003       354.8296 332.2920 6.434579 336.1565 6.181252 -3.864502      8.922539 
1 1 1 -8  10 6  o 97.90886 3.593257 819.1077       60.07755 924.4718       87.43018 724.8531       82.69260 103.9814 4.923837 91.91163 5.290932 12.06980       7.227595 
1 1 1 -8  10 7  o 52.88652 5.269213 241.5828       46.95391 231.1888       69.42590 250.3448       63.74319 51.29919 8.201446 53.59672 7.142344 -2.297535      10.87551 
1 1 1 -8  10 8  o 109.3608 3.607605 1022.021       67.37247 1231.127       88.91318 740.0829       103.2426 120.0057 4.338727 92.74195 6.561351 27.26377       7.866122 
1 1 1 -8  10 9  o 204.8987 4.320678 3589.329       151.1795 4061.031       250.8966 3320.438       189.4300 217.7440 6.747560 196.9852 5.631358 20.75871       8.788729 
1 1 1 -8  10 10 o 192.9123 3.567116 3180.602       117.5111 3107.138       143.0319 3333.169       206.1225 190.6240 4.393933 197.3010 6.117785 -6.676956      7.532194 
1 1 1 -8  10 11 o 288.3662 4.508835 7112.161       222.0294 7215.813       276.7215 6924.836       372.0056 290.3282 5.581511 284.0854 7.668291 6.242767       9.484511 
1 1 1 -8  10 12 o 122.4357 3.947380 1281.811       82.53135 1331.570       100.3987 1178.115       144.9355 124.7507 4.712845 116.9488 7.293686 7.801895       8.683822 
1 1 1 -8  10 13 o 272.4799 5.363573 6358.587       249.5690 6361.485       310.3469 6353.282       419.8595 272.3157 6.673794 271.6057 9.052389 0.7099915      11.24657 
1 1 1 -8  10 14 o 283.2056 4.864910 6867.352       235.2766 6940.977       286.8970 6716.155       411.1368 284.5320 5.904634 279.2377 8.622047 5.294250       10.45009 
1 1 1 -8  10 15 o 212.6445 4.220454 3869.737       153.2552 3758.428       188.4334 4087.237       263.4035 209.4294 5.268881 218.0852 7.072834 -8.655807      8.819643 
1 1 1 -8  10 16 o 353.8112 5.466534 10733.81       330.2825 10698.57       400.6189 10808.60       583.5760 352.8729 6.648309 353.4558 9.668528 -0.5829163     11.73373 
1 1 1 -8  10 17 o 211.9320 3.373919 3841.918       122.1049 3783.745       140.5289 4021.168       246.6785 210.2559 3.913952 216.2515 6.679905 -5.995636      7.742103 
1 1 1 -8  10 18 o 103.4766 3.318512 915.9778       58.63914 915.6227       64.40246 917.6996       141.8169 103.4362 3.646096 102.7718 8.147532 0.6643829      8.926158 
1 1 1 -8  10 19 o 219.8102 3.754595 4136.344       140.9330 3994.669       171.5153 4430.836       247.2817 215.8602 4.652948 226.9350 6.380996 -11.07480      7.897280 
1 1 1 -8  10 20 o 128.5872 11.26891 1458.165       244.9501 1404.671       276.6485 1652.296       527.0103 125.4937 13.10257 129.8522 24.66861 -4.358551      27.93237 
1 1 1 -8  10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  10 22 o 217.2993 5.949949 4063.476       220.7870 3952.121       322.3169 4161.917       303.0527 213.2930 8.849211 219.1871 8.096576 -5.894104      11.99429 
1 1 1 -8  10 23 o 108.3792 7.665685 1022.086       140.9575 1116.564       208.9844 943.2312       190.9253 112.2088 11.04986 103.0614 11.01916 9.147385       15.60517 
1 1 1 -8  10 24 o 118.4533 7.245155 1220.782       145.8492 1003.180       235.2202 1356.697       185.8995 104.9396 13.43444 124.3556 8.811140 -19.41596      16.06613 
1 1 1 -8  10 25 o 187.3334 4.124140 3015.262       131.9321 2609.031       158.7389 3922.722       237.2523 173.8886 5.345771 212.6707 6.532823 -38.78212      8.441270 
1 1 1 -8  10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  10 27 o 84.59328 4.708117 620.1031       67.74254 545.3713       79.31448 821.6314       130.2471 78.97189 5.924542 96.16132 8.004404 -17.18944      9.958447 
1 1 1 -8  10 28 o 53.10428 5.989343 249.2148       53.36516 264.3510       60.51340 196.2618       113.1850 54.50874 6.638130 44.82262 13.59951 9.686127       15.13312 
1 1 1 -8  10 29 o 30.58203 7.905674 86.69556       41.58857 64.58331       45.40798 201.7973       103.5993 26.92946 8.681157 45.11622 12.83509 -18.18676      15.49522 
1 1 1 -8  10 30 f 40.02638 7.391695 147.6517       48.66218 134.8486       52.60431 223.5973       128.1193 37.86786 8.358575 46.12259 14.55209 -8.254734      16.78181 
1 1 1 -8  10 31 o 79.83264 5.068276 561.6569       68.73621 473.4338       78.26006 859.3954       143.7694 72.60851 6.376349 95.93132 8.876777 -23.32281      10.92955 
1 1 1 -8  10 32 o 39.65190 8.118962 149.6138       53.12492 167.6219       58.47328 64.46336       127.1501 41.85185 8.472327 32.02860 13.53024 9.823254       15.96395 
1 1 1 -8  10 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 1  o 185.7882 4.049930 2951.001       128.4895 2958.144       209.6083 2946.701       162.6276 185.8139 6.605843 185.5803 5.131690 0.2336121      8.364891 
1 1 1 -8  11 2  o 270.7483 4.201576 6267.480       194.2584 6414.943       282.9390 6135.984       267.1833 273.7153 6.053296 267.7233 5.844149 5.991943       8.414064 
1 1 1 -8  11 3  o 126.4704 3.405909 1366.890       73.55700 1309.432       109.4894 1414.156       99.30527 123.7120 5.182729 128.5952 4.522158 -4.883224      6.878270 
1 1 1 -8  11 4  o 54.97734 4.822566 260.5071       44.81812 246.8877       64.61164 273.1372       62.22073 53.17278 7.309003 56.07900 6.625284 -2.906219      9.864883 
1 1 1 -8  11 5  o 155.7003 3.464337 2071.848       92.11104 2085.903       136.5027 2060.098       124.8105 156.1411 5.119438 155.1966 4.709414 0.9444580      6.956093 
1 1 1 -8  11 6  o 62.97316 4.565733 340.9412       48.76493 412.1749       64.65860 246.9747       74.26261 69.17535 5.519552 52.97645 8.496052 16.19890       10.13155 
1 1 1 -8  11 7  o 103.0379 3.860703 907.6383       67.93057 906.3757       107.5661 908.4759       87.61206 102.6834 6.162931 103.0424 4.979043 -0.3590546     7.922915 
1 1 1 -8  11 8  o 26.28197 9.286142 51.73476       51.98890 89.05000       71.92649 10.91134       75.23163 32.97231 10.94400 25.18608 10.50850 7.786230       15.17233 
1 1 1 -8  11 9  o 241.1484 4.307742 4974.111       177.3928 5064.961       255.1279 4889.082       246.8209 243.1164 6.145279 238.8713 6.050845 4.245148       8.624221 
1 1 1 -8  11 10 o 106.5509 3.554650 970.6382       64.67789 968.9913       92.14008 972.2380       90.81109 106.3881 5.071703 106.5707 4.989984 -0.1826401     7.114922 
1 1 1 -8  11 11 o 285.6102 4.430076 6980.433       216.0662 7248.391       301.8751 6698.966       309.3909 290.7561 6.079902 279.4395 6.483624 11.31653       8.888339 
1 1 1 -8  11 12 o 316.6434 5.272472 8589.769       285.0930 8449.636       355.0228 8844.213       478.3906 313.7432 6.626436 320.3536 8.744824 -6.610413      10.97186 
1 1 1 -8  11 13 o 49.92334 4.909706 215.5176       41.31497 179.2939       46.00425 366.5227       93.92850 45.31214 6.100429 64.62799 8.734669 -19.31585      10.65409 
1 1 1 -8  11 14 o 134.8553 3.759613 1555.884       86.57911 1505.686       106.6491 1652.911       148.2729 132.5865 4.710378 138.7512 6.257819 -6.164673      7.832494 
1 1 1 -8  11 15 o 224.8462 4.498282 4330.251       172.7167 4218.866       211.1306 4555.598       300.3045 221.7484 5.575563 229.9389 7.647991 -8.190536      9.464602 
1 1 1 -8  11 16 o 241.1536 4.577820 4982.951       188.5187 4997.523       230.5893 4953.580       327.3720 241.2967 5.596104 239.5792 8.001851 1.717529       9.764527 
1 1 1 -8  11 17 o 89.17310 3.544978 680.4962       53.98205 662.1407       58.91214 776.5990       134.8002 87.93982 3.922991 94.39943 8.451627 -6.459610      9.317718 
1 1 1 -8  11 18 o 82.36414 6.334481 587.1166       88.41143 494.7719       137.4135 652.3458       115.4900 74.46725 11.14886 86.53651 7.902452 -12.06926      13.66549 
1 1 1 -8  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 21 o 109.5349 6.538023 1038.034       121.7350 1031.794       211.4756 1041.126       148.8750 107.6821 11.68812 109.3372 8.029724 -1.655144      14.18057 
1 1 1 -8  11 22 o 87.01237 8.785877 665.1843       128.7595 879.9404       220.0286 553.3387       158.7872 98.54379 13.42454 78.20247 12.29617 20.34132       18.20478 
1 1 1 -8  11 23 o 68.96313 10.08652 426.4673       115.2730 697.5096       250.8246 353.8917       129.7917 85.10336 17.83005 61.87440 12.70914 23.22895       21.89596 
1 1 1 -8  11 24 o 113.9918 6.822947 1132.928       132.2048 1117.942       228.7386 1140.446       162.0046 110.7203 12.30610 113.7706 8.398009 -3.050232      14.89855 
1 1 1 -8  11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 26 o 40.78976 12.62316 156.0394       96.91685 -50.43844      191.1460 227.4890       112.4419 34.06078 15.39463 48.53150 13.21247 -14.47072      20.28704 
1 1 1 -8  11 27 o 106.0431 7.014805 994.2530       126.3106 1065.399       230.7258 963.8055       150.9378 105.5387 13.08259 103.5071 8.617692 2.031662       15.66585 
1 1 1 -8  11 28 o 113.1179 6.771505 1133.636       130.2019 1302.522       234.8250 1058.668       156.4536 117.0310 11.91634 108.1536 8.540649 8.877449       14.66090 
1 1 1 -8  11 29 o 68.83695 9.071993 440.6700       104.0436 261.9438       193.6262 513.2238       123.3673 48.71889 17.82943 73.69753 10.06590 -24.97864      20.47464 
1 1 1 -8  11 30 o 70.82771 9.863739 479.4527       116.0635 420.1606       196.2642 511.3387       143.9270 58.95684 17.91260 71.21851 12.27781 -12.26167      21.71648 
1 1 1 -8  11 31 o 22.18023 10.41560 -71.49269      100.3033 60.11930       181.3489 -129.5001      120.3951 35.09378 15.48243 22.38843 10.76328 12.70535       18.85613 
1 1 1 -8  11 32 o 59.41753 10.32912 352.6810       101.0000 212.9827       195.6129 403.4612       117.9367 42.19257 17.20599 62.63578 11.44803 -20.44321      20.66648 
1 1 1 -8  12 1  o 205.4046 4.871214 3611.667       170.8635 3640.066       236.7719 3580.807       246.8160 205.9704 6.731679 204.2345 7.076889 1.735931       9.767182 
1 1 1 -8  12 2  o 197.8392 3.789798 3347.059       128.0355 3335.236       186.9008 3357.514       175.7522 197.3168 5.546834 198.0143 5.197593 -0.6975250     7.601470 
1 1 1 -8  12 3  o 217.5813 3.999792 4049.052       148.6144 4136.335       218.4764 3973.884       202.7487 219.7050 5.823211 215.3877 5.512332 4.317368       8.018454 
1 1 1 -8  12 4  o 87.65664 4.234036 657.3148       63.37840 653.6096       82.85250 662.5410       98.40079 87.16928 5.595522 87.63697 6.624121 -0.4676895     8.671150 
1 1 1 -8  12 5  o 140.4314 3.781728 1686.457       90.68938 1649.197       133.7791 1718.141       123.3617 138.7391 5.646605 141.6544 5.099742 -2.915359      7.608648 
1 1 1 -8  12 6  o 152.9985 6.792609 2008.975       177.4703 2542.876       426.6336 1897.259       195.1564 169.8972 14.85437 148.3746 7.729053 21.52261       16.74487 
1 1 1 -8  12 7  o 185.5289 3.633765 2943.439       115.1252 2872.164       167.6617 3007.024       158.3595 183.1053 5.362051 187.4007 4.948470 -4.295334      7.296502 
1 1 1 -8  12 8  o 72.71938 3.890992 453.6185       48.14320 490.8989       70.49981 421.0421       65.90205 75.48909 5.506912 69.87362 5.569368 5.615471       7.832237 
1 1 1 -8  12 9  o 127.9849 3.478450 1400.699       76.02328 1401.707       108.5095 1399.728       106.5438 127.9308 4.966959 127.8473 4.880168 0.8351135E-01  6.963241 
1 1 1 -8  12 10 o 181.5021 3.616716 2817.606       112.0980 2786.856       159.7301 2847.450       157.3576 180.3456 5.186556 182.3118 5.054416 -1.966187      7.242064 
1 1 1 -8  12 11 o 142.9715 3.489335 1748.250       85.19109 1888.760       127.6075 1635.273       114.4245 148.4708 5.033076 138.1663 4.849699 10.30449       6.989380 
1 1 1 -8  12 12 o 139.6118 3.706017 1667.658       88.35509 1686.059       121.3277 1646.881       128.9239 140.2552 5.065694 138.5747 5.448134 1.680557       7.439316 
1 1 1 -8  12 13 o 235.0851 4.345964 4732.868       174.4669 4627.845       217.1041 4924.340       293.1444 232.2584 5.473873 239.1756 7.177329 -6.917175      9.026480 
1 1 1 -8  12 14 f 96.68746 3.762419 800.1245       62.12111 796.3443       75.37189 808.1314       109.6952 96.40309 4.578430 96.69446 6.684332 -0.2913666     8.101995 
1 1 1 -8  12 15 o 185.9055 4.317209 2960.847       137.0557 2990.800       167.6225 2900.432       238.0584 186.6921 5.257804 183.3537 7.603122 3.338486       9.244023 
1 1 1 -8  12 16 o 170.5544 3.942958 2491.120       114.8384 2415.880       139.6818 2648.043       201.7251 167.8270 4.873894 175.3432 6.737041 -7.516220      8.315201 
1 1 1 -8  12 17 o 117.7688 17.50577 1279.493       341.3480 1329.636       434.2713 1198.429       552.1689 117.4470 22.47169 107.4389 29.29115 10.00808       36.91813 
1 1 1 -8  12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12 19 o 120.0923 5.998502 1241.091       123.0155 1321.363       194.7126 1187.766       158.6995 122.8984 9.347902 116.8683 8.000137 6.030075       12.30388 
1 1 1 -8  12 20 o 188.5962 5.991154 3062.715       192.9502 3015.781       276.9245 3107.000       268.9940 186.2767 8.705644 189.2154 8.325000 -2.938660      12.04549 
1 1 1 -8  12 21 o 63.29661 12.29803 366.8608       128.1385 268.5850       257.6971 399.1411       147.6913 56.28769 20.57347 65.66415 13.61789 -9.376461      24.67215 
1 1 1 -8  12 22 o 93.47603 7.699649 765.3116       121.8127 827.7010       220.6388 737.9573       146.0962 94.61617 14.08521 91.17689 9.523786 3.439285       17.00281 
1 1 1 -8  12 23 o 70.16434 9.874254 444.3458       115.0371 557.9506       248.9592 413.5051       129.7155 73.99157 19.44796 66.90330 11.78431 7.088272       22.73968 
1 1 1 -8  12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12 25 o 57.87945 11.91566 317.7057       113.8482 370.0016       194.1947 290.3189       140.5317 59.76842 17.74180 54.13943 14.78410 5.628986       23.09418 
1 1 1 -8  12 26 o 83.17169 7.861835 619.2047       110.3369 731.5976       199.9394 569.9880       132.3075 86.48994 14.01699 78.62379 10.08697 7.866150       17.26913 
1 1 1 -8  12 27 o 67.03734 9.281261 414.7979       103.3989 737.0996       193.7800 286.5061       122.2579 86.45390 13.57275 53.42822 13.41838 33.02568       19.08593 
1 1 1 -8  12 28 o 93.92252 7.298660 794.1411       116.1423 836.9320       206.1472 774.2426       140.5762 90.96198 13.69608 91.43410 9.125184 -0.4721222     16.45757 
1 1 1 -8  12 29 o 71.68172 8.767220 480.3225       105.0811 641.5073       195.7284 415.0505       124.5532 76.65981 15.48459 64.45269 11.74941 12.20712       19.43762 
1 1 1 -8  12 30 o 53.20505 12.42709 295.1162       110.8659 108.9475       191.5138 388.9493       135.9643 37.89226 16.32232 60.34446 13.52856 -22.45219      21.20000 
1 1 1 -8  12 31 o 83.08451 7.982958 646.5381       111.8681 622.3270       205.3491 656.7556       133.4010 71.03044 17.12867 82.07748 9.705614 -11.04704      19.68731 
1 1 1 -8  13 1  o 184.9561 4.658366 2929.431       147.1310 2844.248       208.7889 3013.459       207.3678 181.9594 6.719406 187.3333 6.482231 -5.373840      9.336473 
1 1 1 -8  13 2  o 236.6876 4.835652 4798.200       195.4486 4759.129       246.1950 4864.795       321.4200 235.5009 6.121879 237.7026 7.918394 -2.201660      10.00891 
1 1 1 -8  13 3  o 266.5901 4.997742 6088.396       227.5201 6068.752       287.0688 6121.579       373.1120 265.8951 6.322281 266.5696 8.196466 -0.6745300     10.35149 
1 1 1 -8  13 4  o 226.4474 7.192601 4408.664       278.1347 4799.955       701.9909 4335.800       302.9260 231.5842 17.88962 224.4078 7.904906 7.176392       19.55827 
1 1 1 -8  13 5  o 132.0266 3.885301 1491.370       87.59679 1452.760       129.3897 1524.040       119.0201 130.1405 5.822175 133.3544 5.226501 -3.213867      7.823940 
1 1 1 -8  13 6  o 173.9349 3.876784 2588.534       115.1490 2225.479       163.8640 2942.699       161.8454 161.0476 5.958367 185.3092 5.114477 -24.26160      7.852389 
1 1 1 -8  13 7  o 225.0380 4.208904 4334.991       161.7435 4279.464       231.2333 4388.186       226.3252 223.2872 6.064357 226.1450 5.860627 -2.857849      8.433468 
1 1 1 -8  13 8  o 82.37924 4.049537 580.8569       56.96722 518.4203       80.40395 643.7925       80.72466 77.46617 6.128062 86.46637 5.495634 -9.000198      8.231351 
1 1 1 -8  13 9  o 166.8159 3.614983 2380.797       102.9783 2200.053       145.9417 2560.021       145.3268 160.1689 5.335800 172.8321 4.924016 -12.66325      7.260626 
1 1 1 -8  13 10 o 254.9097 4.106018 5563.099       178.7348 5415.731       255.2114 5704.958       250.3958 251.1386 5.950929 257.8204 5.687321 -6.681854      8.231596 
1 1 1 -8  13 11 o 336.1107 4.994218 9686.487       286.6499 9609.493       406.1458 9762.906       404.6269 334.0481 7.119854 336.7374 7.036577 -2.689240      10.01028 
1 1 1 -8  13 12 o 305.3845 4.744743 7994.360       247.4353 8212.229       350.9001 7778.893       348.9607 308.9298 6.651532 300.6171 6.797683 8.312744       9.510592 
1 1 1 -8  13 13 o 304.3251 5.462410 7951.339       283.8729 7861.753       354.0335 8112.640       475.0541 302.1264 6.862049 305.9111 9.093812 -3.784698      11.39233 
1 1 1 -8  13 14 o 163.0309 3.978462 2276.406       110.7611 2337.297       137.6983 2164.790       186.4283 165.0682 4.884984 158.4979 6.887897 6.570374       8.444299 
1 1 1 -8  13 15 o 166.5469 17.11359 2530.194       479.7983 2303.141       632.3557 2838.263       736.5819 153.5589 24.97301 169.6590 26.27322 -16.10019      36.24822 
1 1 1 -8  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  13 17 o 210.8366 6.000813 3824.959       216.0518 3840.951       313.6948 3810.527       297.9962 210.3722 8.732068 209.6931 8.321939 0.6790314      12.06249 
1 1 1 -8  13 18 o 84.25031 7.823136 619.7022       111.2675 523.3540       172.4121 688.4714       145.6609 75.57506 13.87056 88.30432 9.826241 -12.72926      16.99846 
1 1 1 -8  13 19 o 104.5599 7.836872 953.1306       138.9117 970.1635       233.8745 943.8461       172.6693 103.4424 13.56695 103.4188 9.898083 0.2364349E-01  16.79387 
1 1 1 -8  13 20 o 121.7756 7.480124 1292.044       154.7975 1513.000       283.2218 1197.922       184.8504 129.3224 13.00094 116.5758 9.364636 12.74666       16.02251 
1 1 1 -8  13 21 o 35.75704 12.85303 101.7984       100.0070 210.1914       202.5344 66.84918       115.0051 49.65809 18.22557 33.94732 13.41390 15.71077       22.62972 
1 1 1 -8  13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  13 23 o 91.14087 8.657952 741.6768       133.1324 675.0572       223.4680 778.3315       165.7596 82.49416 16.44031 92.34988 10.70972 -9.855728      19.62095 
1 1 1 -8  13 24 o 30.99462 12.12359 62.69960       93.09940 44.95417       187.0185 68.54596       107.3456 37.72210 16.18720 32.76352 12.95527 4.958580       20.73317 
1 1 1 -8  13 25 o 111.5817 7.025437 1102.520       133.1818 1151.737       253.8429 1083.826       156.4433 108.5958 14.01538 109.7876 8.408447 -1.191711      16.34420 
1 1 1 -8  13 26 o 49.20952 11.78514 237.1909       97.72679 71.76756       189.6080 297.0334       114.0415 38.18165 16.33928 54.82716 12.46292 -16.64551      20.54985 
1 1 1 -8  13 27 o 82.68079 8.785126 631.7950       122.1377 531.8448       202.6498 688.8145       153.0615 68.60715 17.30052 84.77552 10.81962 -16.16837      20.40520 
1 1 1 -8  13 28 o 101.1243 7.063047 924.5818       121.2030 961.2007       212.3633 906.8912       147.6043 96.89095 13.17674 98.60686 8.860348 -1.715912      15.87867 
1 1 1 -8  13 29 o 50.03934 11.80051 257.8467       99.19719 112.7131       192.8018 310.0970       115.6834 38.03876 16.38130 54.30195 12.70163 -16.26318      20.72869 
1 1 1 -8  13 30 o 22.41439 10.61011 -81.87971      107.8920 -369.1627      229.0922 -0.1476794E-03 122.3047 26.13449 13.00792 27.60595 12.41061 -1.471460      17.97858 
1 1 1 -8  14 1  o 111.2775 4.344709 1060.523       82.56007 920.6030       112.4681 1224.030       121.5785 103.2968 6.407502 119.3866 5.963475 -16.08983      8.753235 
1 1 1 -8  14 2  o 107.9891 4.856909 999.5229       89.56572 1008.453       250.1378 998.2096       95.92595 106.1239 14.15567 107.8874 5.206711 -1.763496      15.08286 
1 1 1 -8  14 3  o 89.34741 10.20395 701.6611       152.8945 682.5381       199.3586 728.9741       238.2544 87.07852 13.87213 89.28231 16.22455 -2.203789      21.34648 
1 1 1 -8  14 4  f 53.92608 6.402278 253.4063       57.80521 245.6633       73.48212 265.9770       93.62828 52.69535 8.451629 54.45558 10.44848 -1.760235      13.43878 
1 1 1 -8  14 5  o 146.0172 3.729409 1824.649       92.99208 1779.604       136.8322 1863.309       126.7653 144.0008 5.564438 147.4166 5.035611 -3.415802      7.504689 
1 1 1 -8  14 6  o 54.98571 5.590269 262.1443       51.76095 221.5255       74.09217 300.8661       72.34131 49.85419 9.035713 58.64245 7.387876 -8.788265      11.67154 
1 1 1 -8  14 7  o 128.0911 3.810897 1404.412       83.35813 1426.820       121.3204 1384.374       114.7280 128.9336 5.510181 127.0273 5.288964 1.906288       7.637751 
1 1 1 -8  14 8  f 196.1372 3.754508 3292.864       125.7520 2935.637       179.7881 3635.018       175.9543 184.8941 5.694244 205.8766 5.004848 -20.98256      7.581090 
1 1 1 -8  14 9  o 36.14386 6.756769 116.0433       40.17048 127.0065       48.99902 93.57116       70.15228 37.67024 7.870739 33.24680 10.79732 4.423443       13.36153 
1 1 1 -8  14 10 o 123.6828 3.653723 1309.424       77.16972 1400.589       110.5631 1222.824       107.7598 127.7681 5.067407 119.3594 5.286866 8.408707       7.323221 
1 1 1 -8  14 11 o 115.6602 11.15438 1179.757       217.5771 1087.842       286.1031 1305.824       335.0662 109.3030 15.78553 119.4201 16.90260 -10.11707      23.12749 
1 1 1 -8  14 12 o 219.1925 28.12790 4789.190       1028.555 4789.190       1028.555 0.000000       0.000000 219.1925 28.12790 ?        ?        0.000000       28.12790 
1 1 1 -8  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  14 15 o 144.6190 4.413825 1793.448       109.0040 1909.213       130.9146 1531.783       196.8212 149.0995 5.141738 132.5514 8.744446 16.54807       10.14410 
1 1 1 -8  14 16 o 139.5555 4.313137 1670.105       102.7879 1524.925       126.9411 1946.546       175.1658 133.1581 5.582552 150.1755 6.830434 -17.01740      8.821548 
1 1 1 -8  14 17 o 131.7079 6.754264 1502.297       151.4009 1253.962       236.8149 1673.966       196.8958 118.5368 11.85822 138.5402 8.361784 -20.00333      14.50989 
1 1 1 -8  14 18 o 91.71641 8.970946 741.8602       138.7046 954.5727       271.7062 666.8882       161.3067 100.8267 16.33973 86.13552 11.23396 14.69122       19.82899 
1 1 1 -8  14 19 o 117.6841 7.660123 1211.788       153.1027 919.2452       240.4126 1411.374       198.5764 99.26522 14.62055 126.3574 9.267552 -27.09217      17.31034 
1 1 1 -8  14 20 o 75.28535 9.144195 507.3886       115.1462 78.32196       219.3799 670.5383       135.2781 42.59768 17.87158 86.62244 9.290261 -44.02477      20.14206 
1 1 1 -8  14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  14 22 o 184.0174 6.300588 2953.817       197.9894 2815.580       300.5270 3059.826       263.1747 176.6013 10.00637 185.8555 8.292142 -9.254242      12.99566 
1 1 1 -8  14 23 o 53.95908 11.62477 278.0802       103.9537 538.2656       234.4814 214.4322       115.9736 70.41164 19.04260 46.74652 13.66597 23.66512       23.43884 
1 1 1 -8  14 24 o 64.21139 9.707638 382.2722       103.1231 560.0365       196.4391 314.6461       121.1609 73.48699 16.09883 56.53947 12.84159 16.94752       20.59317 
1 1 1 -8  14 25 o 20.20037 9.751726 -136.6112      101.2849 311.7084       181.8681 -338.1746      121.9463 53.05634 17.39249 17.79854 8.949833 35.25779       19.56012 
1 1 1 -8  14 26 o 56.50704 10.84098 311.6643       100.8048 560.1107       193.7681 219.4727       118.0352 71.17789 16.29345 45.67951 13.89417 25.49838       21.41318 
1 1 1 -8  14 27 o 47.20337 12.11980 229.0358       98.19762 -35.84825      192.3936 322.3490       114.1916 32.36808 14.93487 56.14366 12.25455 -23.77558      19.31902 
1 1 1 -8  14 28 o 23.64912 11.03566 -62.18700      109.6722 -309.9567      229.5900 11.06552       124.8361 27.55617 13.59072 28.73190 12.75194 -1.175728      18.63651 
1 1 1 -8  14 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 2  o 195.2290 13.99117 3388.693       463.3520 3352.377       545.7563 3482.458       876.9319 192.5350 16.76657 187.2407 28.30982 5.294296       32.90234 
1 1 1 -8  15 3  o 69.39746 12.45660 434.9301       142.1953 372.5496       174.1836 559.5595       246.2027 63.34206 16.07602 76.97687 18.87448 -13.63480      24.79283 
1 1 1 -8  15 4  f 52.14516 14.01844 249.0372       127.5238 233.2456       146.8614 297.4374       257.1092 50.86764 15.50396 58.97261 20.66658 -8.104969      25.83564 
1 1 1 -8  15 5  o 218.2086 12.76309 4204.793       473.5148 4188.333       647.1257 4223.763       694.7051 214.4602 17.83183 214.3368 19.18310 0.1233826      26.19094 
1 1 1 -8  15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 11 o 92.77660 4.008874 737.4190       63.51303 749.1074       92.83501 727.1343       87.08266 93.14982 5.866134 91.81658 5.580499 1.333237       8.096512 
1 1 1 -8  15 12 o 203.8444 3.948141 3560.147       137.4337 3548.104       195.4351 3571.929       193.3037 203.1370 5.633932 203.8381 5.553320 -0.7011108     7.910787 
1 1 1 -8  15 13 o 176.0231 3.868391 2654.606       116.2792 2946.766       167.5443 2383.115       161.5090 185.1794 5.298281 166.4500 5.682127 18.72939       7.769063 
1 1 1 -8  15 14 o 29.76262 9.226923 77.05773       51.75580 91.16752       57.45005 16.27837       119.2362 32.13959 9.674932 31.11900 13.12182 1.020596       16.30296 
1 1 1 -8  15 15 o 86.25664 5.059927 641.9261       74.20508 587.9090       91.09973 748.4296       127.9185 82.24237 6.540674 92.42730 8.189389 -10.18493      10.48077 
1 1 1 -8  15 16 o 51.74545 7.130610 236.4141       61.33508 196.6555       68.29063 402.3065       139.4951 46.68805 8.890219 65.96182 12.84607 -19.27377      15.62234 
1 1 1 -8  15 17 o 174.9250 6.612929 2654.474       197.5366 2497.158       297.4377 2778.615       264.2209 167.4082 10.45676 177.9489 8.695007 -10.54068      13.59952 
1 1 1 -8  15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 20 o 32.98718 12.66068 76.75825       100.0871 22.67151       243.7667 87.72501       109.7661 40.99693 18.02367 34.70728 13.27343 6.289654       22.38385 
1 1 1 -8  15 21 o 35.18947 12.53177 106.0186       94.86030 348.2208       193.1745 29.05495       108.8939 57.61061 17.82028 29.90532 12.57118 27.70529       21.80818 
1 1 1 -8  15 22 o 168.9065 6.571458 2507.957       189.5440 2426.707       310.1165 2556.409       239.4821 161.3533 11.32676 169.0970 8.293451 -7.743713      14.03841 
1 1 1 -8  15 23 o 37.97671 12.58388 137.3091       95.11143 110.1288       191.2739 146.2373       109.6252 40.27122 16.77528 39.22194 13.50880 1.049286       21.53828 
1 1 1 -8  15 24 o 96.33379 7.879681 842.3233       128.4906 874.4183       212.6614 823.8702       161.2521 92.83766 13.83683 93.37898 10.28284 -0.5413208     17.23933 
1 1 1 -8  15 25 o 76.24998 8.901711 543.2841       113.7267 618.9673       242.0173 521.8357       128.8376 70.52151 19.46092 73.46987 10.57367 -2.948364      22.14791 
1 1 1 -8  15 26 o 46.04312 12.62764 221.9979       102.2657 48.51789       234.4353 262.7672       113.6488 37.54630 17.00228 49.77678 13.16712 -12.23048      21.50466 
1 1 1 -8  15 27 o 35.28404 12.58851 126.0450       95.76318 271.5454       191.8091 77.73513       110.5236 46.32999 17.58713 31.68561 12.92864 14.64438       21.82789 
1 1 1 -8  16 1  o 118.2736 4.300838 1198.999       86.86459 1129.885       141.2903 1240.995       110.1383 114.1812 7.284276 120.1987 5.365825 -6.017494      9.047252 
1 1 1 -8  16 2  o 191.1633 4.092954 3131.099       133.6113 3147.420       205.1277 3119.072       176.0890 191.2097 6.282209 190.5475 5.411617 0.6621399      8.291668 
1 1 1 -8  16 3  o 126.8692 4.176097 1379.331       90.47503 1257.049       141.8535 1463.188       117.4700 120.5398 6.920414 130.5281 5.270126 -9.988258      8.698641 
1 1 1 -8  16 4  o 174.2190 4.113560 2600.821       122.3814 2470.238       185.0007 2702.428       163.1906 169.3625 6.396674 177.3640 5.388002 -8.001480      8.363492 
1 1 1 -8  16 5  o 178.9552 4.802342 2747.818       146.7572 2793.767       316.9400 2735.277       165.5775 178.5435 10.44063 178.4242 5.434328 0.1193085      11.77024 
1 1 1 -8  16 6  o 41.31052 11.89608 153.7340       88.47398 153.7340       88.47398 0.000000       0.000000 41.31052 11.89608 ?        ?        0.000000       11.89608 
1 1 1 -8  16 7  o 95.65835 4.662493 785.0176       76.16281 749.3841       128.2803 804.4170       94.65094 92.66035 8.191453 96.54359 5.767527 -3.883240      10.01820 
1 1 1 -8  16 8  o 69.39552 5.143451 415.8424       60.51810 453.6702       85.53166 377.9193       85.63947 72.16485 7.029896 65.64411 7.791851 6.520737       10.49440 
1 1 1 -8  16 9  o 154.5376 3.842371 2046.060       101.3994 1932.436       145.0988 2154.515       141.7603 149.8860 5.668926 158.3489 5.242491 -8.462860      7.721426 
1 1 1 -8  16 10 o 224.5803 4.159806 4324.611       159.5316 4147.933       225.6808 4501.074       225.5426 219.4392 6.022523 228.6702 5.775865 -9.230972      8.344543 
1 1 1 -8  16 11 o 162.3884 3.755508 2259.933       104.1419 2031.804       147.7118 2485.407       146.8499 153.6192 5.630768 170.0404 5.057311 -16.42116      7.568483 
1 1 1 -8  16 12 o 56.15881 5.329928 273.8557       50.50175 266.1444       70.57750 281.9465       72.29395 54.84726 7.751426 56.49406 7.693823 -1.646801      10.92152 
1 1 1 -8  16 13 o 39.17541 7.805314 138.0761       50.38262 149.3152       78.59893 130.2370       65.64225 40.37831 11.06898 37.78335 10.01281 2.594959       14.92577 
1 1 1 -8  16 14 o 87.27693 4.864276 657.8841       72.20872 663.4942       93.94236 649.7835       112.8843 87.30396 6.344603 85.98278 7.772135 1.321175       10.03295 
1 1 1 -8  16 15 o 77.22146 5.890989 519.1555       77.09729 527.0289       90.11673 497.6584       148.9059 77.54091 6.877059 73.30463 12.33329 4.236282       14.12105 
1 1 1 -8  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  16 17 o 25.92676 11.40110 -14.50252      97.59259 -364.5460      214.3344 77.05131       109.6148 27.45304 13.45815 33.92746 13.18709 -6.474422      18.84201 
1 1 1 -8  16 18 o 42.29459 13.66808 167.9761       112.5094 56.11198       203.1699 217.4533       135.1189 39.63442 16.93600 47.35268 14.94477 -7.718258      22.58703 
1 1 1 -8  16 19 o 158.1355 6.106185 2183.747       164.8926 2312.233       267.0777 2104.603       209.6129 159.6582 9.843911 153.8347 8.006910 5.823547       12.68910 
1 1 1 -8  16 20 o 26.55273 11.87710 -25.86364      110.5110 258.7455       234.5784 -107.0476      125.2849 50.84093 19.41347 24.63303 11.59070 26.20790       22.61033 
1 1 1 -8  16 21 o 39.89389 12.55693 154.3518       95.44650 172.0111       194.7203 148.7669       109.5040 44.02670 17.43600 39.52363 13.50530 4.503071       22.05464 
1 1 1 -8  16 22 o 23.08666 10.75469 -70.37104      103.4496 -17.77404      189.1586 -92.81533      123.5659 33.71717 15.27001 24.61373 11.55902 9.103441       19.15161 
1 1 1 -8  16 23 o 27.33953 11.52045 30.26981       91.81018 170.9589       190.4127 -12.34512      104.7965 42.22630 17.06488 25.99411 11.60097 16.23218       20.63474 
1 1 1 -8  16 24 o 50.94796 13.52153 276.0308       119.5935 165.3063       241.2852 312.0917       137.6978 42.63797 18.34389 53.33535 14.66322 -10.69738      23.48421 
1 1 1 -8  16 25 o 80.18511 8.275845 600.5576       111.6909 740.1649       208.3652 544.2708       132.3045 81.12780 15.60684 74.21737 10.75239 6.910431       18.95224 
1 1 1 -8  16 26 o 46.89029 12.25433 234.9096       99.21486 301.7005       198.0190 212.5225       114.6428 47.69221 17.92270 43.51601 13.76931 4.176201       22.60127 
1 1 1 -8  17 1  o 110.0316 4.314253 1039.214       81.06344 1028.017       132.8883 1045.850       102.3021 108.6990 7.199882 110.2116 5.435699 -1.512604      9.021371 
1 1 1 -8  17 2  o 68.61466 5.264442 407.4227       61.21349 323.8941       105.0154 450.4091       75.33562 59.82590 10.67060 71.98811 6.188425 -12.16221      12.33525 
1 1 1 -8  17 3  o 115.6186 4.141969 1146.822       81.77798 1042.880       131.7988 1211.888       104.2787 109.5361 7.084096 118.7003 5.144484 -9.164185      8.755007 
1 1 1 -8  17 4  o 28.92552 9.323387 71.48924       52.37636 21.20204       83.37828 104.2674       67.31574 26.92677 11.13422 34.32092 10.50361 -7.394150      15.30675 
1 1 1 -8  17 5  o 115.1098 4.134577 1136.852       81.27283 1056.208       125.7591 1194.688       106.5008 110.3218 6.707217 117.8195 5.293391 -7.497711      8.544398 
1 1 1 -8  17 6  o 23.22220 8.778261 34.61659       47.65884 96.36665       76.24242 -4.986731      61.05818 33.75816 11.27034 21.27791 9.190761 12.48025       14.54272 
1 1 1 -8  17 7  o 86.81318 5.459199 651.8255       80.51914 525.8923       106.3611 820.8890       123.2360 77.29077 8.182932 96.94862 7.502188 -19.65785      11.10150 
1 1 1 -8  17 8  o 50.72197 7.095891 227.3054       59.77914 211.7829       73.83338 256.8453       101.8533 48.38809 9.272905 52.76744 11.61783 -4.379345      14.86475 
1 1 1 -8  17 9  o 94.65237 4.243862 769.6483       68.59535 692.6132       97.91165 843.9051       96.12984 89.20685 6.471415 98.70607 5.727748 -9.499222      8.642124 
1 1 1 -8  17 10 o 109.0871 4.055166 1022.182       75.54119 992.9409       110.0023 1048.279       103.9198 106.9605 6.047269 110.0490 5.547654 -3.088585      8.206456 
1 1 1 -8  17 11 o 75.57580 4.805007 494.0544       61.69030 381.9287       89.57986 595.1992       85.08045 65.55577 8.179983 82.68086 6.068302 -17.12509      10.18511 
1 1 1 -8  17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  17 14 o 48.15398 7.618810 208.0938       60.56526 311.7066       78.20068 52.78643       95.74139 59.03650 7.959804 30.62135 12.19479 28.41516       14.56267 
1 1 1 -8  17 15 o 99.90276 5.331670 867.3939       90.62958 831.7144       116.4430 922.2204       144.3442 97.17843 7.065186 101.7375 8.383015 -4.559029      10.96320 
1 1 1 -8  17 16 o 138.1843 4.792902 1652.357       113.0991 1573.447       144.3708 1777.720       181.9699 134.1965 6.299934 141.7646 7.543892 -7.568085      9.828504 
1 1 1 -8  17 17 o 85.08499 9.138438 657.4133       130.6980 850.4797       255.9799 589.3354       152.0043 90.79374 17.13832 79.11745 11.59483 11.67628       20.69208 
1 1 1 -8  17 18 o 102.7085 7.333049 938.8063       127.7700 1281.419       262.4398 832.3693       146.2764 114.7409 13.66261 95.66684 9.061907 19.07403       16.39466 
1 1 1 -8  17 19 o 45.85505 12.21481 207.7594       97.36384 -28.93802      200.9572 280.3655       111.2995 34.58012 15.69204 53.22535 12.46461 -18.64523      20.04013 
1 1 1 -8  17 20 o 89.35884 8.308016 729.0750       125.3241 1021.724       214.3310 577.0362       154.4859 101.9329 12.58004 76.64847 12.21258 25.28444       17.53295 
1 1 1 -8  17 21 o 53.08668 11.83289 282.6491       104.5307 369.8062       242.7535 262.8099       115.8182 54.08818 19.93790 50.21578 13.29648 3.872402       23.96490 
1 1 1 -8  17 22 o 26.67688 11.80631 -0.7242815     106.2718 -133.6310      192.6741 57.38760       127.4037 29.34491 13.97329 32.08577 13.54848 -2.740858      19.46315 
1 1 1 -8  17 23 o 22.08006 10.19628 -45.65123      89.94852 85.36694       193.6734 -81.68394      101.5670 36.88151 16.14336 21.91762 10.35036 14.96389       19.17650 
1 1 1 -8  17 24 o 36.33734 12.67140 137.0929       96.59921 383.7295       198.8442 60.90454       110.5168 53.60418 18.19949 30.40626 12.71584 23.19792       22.20167 
1 1 1 -8  18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 9  o 114.6593 4.039390 1131.187       79.09095 1069.878       115.1614 1185.922       108.8115 110.8036 6.109884 117.0345 5.444514 -6.230927      8.183728 
1 1 1 -8  18 10 o 64.27985 6.408341 363.3111       69.40557 356.9743       86.07781 375.0866       117.3401 63.14972 8.173921 63.54547 11.22377 -0.3957520     13.88474 
1 1 1 -8  18 11 o 121.5682 4.051543 1272.825       84.10901 1090.783       115.9977 1474.642       122.1357 111.7752 6.100240 130.3847 5.485473 -18.60951      8.203861 
1 1 1 -8  18 12 o 98.77798 4.249124 841.6022       71.67397 891.6822       99.94505 788.5775       102.8416 101.0721 5.815187 94.81396 6.389010 6.258087       8.639204 
1 1 1 -8  18 13 o 64.21395 5.278964 360.2611       57.37431 355.6018       86.68859 363.8929       76.53564 62.77585 8.289377 63.95290 7.129467 -1.177052      10.93358 
1 1 1 -8  18 14 o 106.1739 4.228197 973.6642       76.66109 1069.068       118.5389 905.0757       100.5088 110.3117 6.319010 101.6951 5.811764 8.616562       8.585248 
1 1 1 -8  18 15 o 45.49777 8.172261 189.7778       61.16051 161.6596       91.13953 212.8141       82.49340 40.93251 12.15525 47.34556 10.48021 -6.413055      16.04945 
1 1 1 -8  18 16 o 18.02670 8.198324 -28.27454      55.23888 18.12084       66.55023 -131.0387      99.04510 23.67468 9.881234 20.17048 9.713409 3.504204       13.85601 
1 1 1 -8  18 17 o 46.30019 7.731790 196.7059       58.97566 196.2423       70.00793 197.8391       109.4512 45.58892 9.307473 44.22292 13.36343 1.366005       16.28528 
1 1 1 -8  18 18 o 28.21155 11.76504 36.93747       94.23284 -42.44931      241.8811 51.14235       102.3168 36.02258 16.66479 30.04174 12.36932 5.980841       20.75368 
1 1 1 -8  18 19 o 25.09351 11.36357 -27.94135      104.7314 -83.38570      196.8367 -6.046528      123.6939 31.37342 14.68719 28.27184 12.61157 3.101572       19.35885 
1 1 1 -8  18 20 o 27.69852 11.62658 35.76247       92.92435 113.1728       197.0712 13.63048       105.3741 38.88093 16.64864 27.43030 11.95961 11.45064       20.49901 
1 1 1 -8  18 21 o 70.24742 9.694397 475.3656       113.1941 522.6747       252.6473 463.4841       126.6129 60.83651 20.51515 68.04163 11.29280 -7.205120      23.41791 
1 1 1 -8  18 22 o 73.09204 10.07308 524.2685       122.3884 284.7372       212.5211 643.1278       149.7054 46.60740 18.29234 79.76658 11.30697 -33.15918      21.50482 
1 1 1 -8  19 1  o 73.20110 4.988278 465.9894       61.98318 462.6688       104.7402 467.7790       76.89272 71.62384 8.745173 72.97472 6.230057 -1.350883      10.73740 
1 1 1 -8  19 2  f 85.28648 4.353379 629.2139       63.19167 645.3173       101.7314 619.0969       80.63428 85.49911 7.030008 84.22803 5.638669 1.271080       9.011970 
1 1 1 -8  19 3  o 51.09190 6.427620 231.3290       54.83827 130.6938       89.42961 291.9720       69.42191 37.72743 12.18513 57.22311 7.268280 -19.49568      14.18821 
1 1 1 -8  19 4  o 130.6193 3.970152 1469.657       88.55566 1328.903       138.6597 1566.615       115.0830 123.0836 6.621371 134.5097 5.010208 -11.42613      8.303296 
1 1 1 -8  19 5  o 71.35493 4.956265 442.8285       60.01750 472.2818       94.45866 422.8872       77.72309 72.78472 7.717492 69.21447 6.657986 3.570251       10.19257 
1 1 1 -8  19 6  f 55.54068 5.772732 271.1891       53.95137 181.6192       84.02829 334.0121       70.37263 43.74132 11.20081 61.37207 6.830656 -17.63074      13.11930 
1 1 1 -8  19 7  o 53.86495 6.465281 257.2476       58.28149 277.2722       94.97506 245.1524       73.81349 54.40543 10.60377 51.83537 8.643240 2.570061       13.68011 
1 1 1 -8  19 8  o 19.09639 8.287212 -4.124662      50.11136 -70.06322      77.39451 43.47316       65.75579 19.58929 9.182981 26.25107 10.21080 -6.661776      13.73272 
1 1 1 -8  19 9  o 96.80782 4.420861 810.1725       73.08348 739.1429       105.5900 875.4927       101.2574 91.46771 6.808869 99.96822 5.958535 -8.500511      9.047919 
1 1 1 -8  19 10 o 26.58471 9.446024 57.26261       53.86707 143.8589       71.32035 -57.74016      82.18979 38.95855 10.48790 20.95101 9.700060 18.00754       14.28591 
1 1 1 -8  19 11 o 65.39169 5.505254 375.3128       60.90355 259.6890       85.46862 494.5897       86.80825 52.67858 9.863537 74.59138 6.893030 -21.91280      12.03342 
1 1 1 -8  19 12 o 45.77060 8.114521 192.4623       61.10155 189.8882       73.05148 198.4571       111.4804 44.80390 9.819056 44.64444 13.48583 0.1594582      16.68177 
1 1 1 -8  19 13 o 39.93029 9.273532 150.8072       62.02275 184.7793       119.6671 138.3294       72.52406 42.98856 14.10895 37.90577 10.72336 5.082794       17.72153 
1 1 1 -8  19 14 o 91.68275 4.521927 730.6511       70.79672 827.5159       110.7695 663.7562       92.05207 96.30515 6.778723 86.47605 6.276312 9.829102       9.238137 
1 1 1 -8  19 15 o 58.38637 5.985525 303.8543       58.83465 419.4917       87.03349 206.5408       79.84060 67.86205 7.643384 46.08927 10.39235 21.77278       12.90048 
1 1 1 -8  19 16 o 79.44949 5.232790 556.2888       70.59734 512.3818       90.85769 623.1866       112.1504 75.22524 7.159229 82.40403 8.073562 -7.178787      10.79060 
1 1 1 -8  19 17 o 19.13760 8.283685 0.3024209      49.81090 24.76489       57.44287 -73.84569      100.0083 22.71856 9.300994 22.22498 10.42496 0.4935856      13.97098 
1 1 1 -8  19 18 o 68.15432 9.207583 441.0163       104.4188 392.7987       199.0711 459.3178       122.6449 55.97395 18.18910 68.28168 10.88363 -12.30773      21.19662 
1 1 1 -8  19 19 o 27.85906 11.66423 42.11769       93.14660 -10.57254      202.7482 56.21416       104.8690 33.23901 15.33490 29.86314 12.42893 3.375872       19.73923 
1 1 1 -8  19 20 o 40.29398 12.70577 174.6918       97.68193 135.4114       207.9552 185.8125       110.6486 38.80450 16.86100 41.07651 13.57102 -2.272015      21.64408 
1 1 1 -8  20 1  o 74.61994 4.935046 486.3834       62.53006 437.1251       107.1942 511.7905       76.98547 68.74871 9.375154 76.16326 5.966897 -7.414551      11.11294 
1 1 1 -8  20 2  o 30.23093 9.176117 84.27145       51.52216 29.38173       87.19837 113.7129       63.86203 27.22250 11.33201 34.69627 10.14042 -7.473770      15.20666 
1 1 1 -8  20 3  o 67.46170 5.298748 399.2288       60.55138 505.6270       99.46080 336.5711       76.32594 74.82550 7.903563 61.09540 7.471487 13.73010       10.87609 
1 1 1 -8  20 4  o 41.33030 6.864707 154.7054       46.75005 90.49522       81.82189 185.8271       56.96383 32.43465 11.62933 45.09420 7.672126 -12.65955      13.93208 
1 1 1 -8  20 5  o 100.2905 4.209859 870.7132       72.09901 854.5883       111.5161 882.2946       94.50838 98.13351 6.694511 100.3138 5.538515 -2.180321      8.688592 
1 1 1 -8  20 6  o 55.95760 6.707739 280.4325       62.81947 271.2825       97.64313 286.8944       82.05627 53.00451 11.14140 55.65387 8.936461 -2.649364      14.28254 
1 1 1 -8  20 7  o 37.91130 8.726437 135.0180       55.32394 67.03203       89.47980 177.0907       70.39076 30.55524 11.90390 43.12794 9.782578 -12.57270      15.40784 
1 1 1 -8  20 8  o 48.86959 6.715789 215.1703       54.56372 220.8779       91.32333 212.0016       68.04433 47.46151 11.40880 47.71445 8.670402 -0.2529373     14.32957 
1 1 1 -8  20 9  o 33.17064 8.402775 103.5148       47.65110 31.50421       72.45454 158.4014       63.25586 25.49209 10.44225 40.81773 9.284537 -15.32564      13.97295 
1 1 1 -8  20 10 o 57.75535 5.845432 296.5536       56.85763 415.3561       88.96436 214.5215       73.92567 67.45147 7.871716 47.51554 9.443529 19.93592       12.29407 
1 1 1 -8  20 11 o 21.49757 8.634140 24.38720       48.41816 44.83762       70.53645 6.165627       66.58179 26.42200 10.48461 22.41730 9.640117 4.004700       14.24285 
1 1 1 -8  20 12 o 48.28901 6.761609 211.7609       54.22816 212.1031       79.35802 211.4611       74.27454 46.67410 10.23822 46.93578 9.590841 -0.2616730     14.02873 
1 1 1 -8  20 13 o 65.09374 5.374717 375.0730       59.20999 328.3882       88.60258 412.7448       79.59150 58.99877 9.085907 67.49770 7.007315 -8.498924      11.47415 
1 1 1 -8  20 14 o 19.18437 8.961534 -54.87304      72.61910 -54.87304      72.61910 0.000000       0.000000 19.18437 8.961534 ?        ?        0.000000       8.961534 
1 1 1 -8  20 15 o 25.56699 9.530437 52.69358       55.77036 54.12849       88.50549 51.74860       71.82403 28.59148 11.60637 26.91337 10.61138 1.678112       15.72607 
1 1 1 -8  20 16 o 34.08936 9.587300 114.6004       58.14817 46.87178       75.80438 211.4273       90.63711 26.66764 10.77069 45.13451 11.67254 -18.46687      15.88257 
1 1 1 -8  20 17 o 59.32753 6.367062 319.9317       63.49695 279.4885       81.32048 383.1054       101.6355 53.71672 9.195874 62.55622 9.839115 -8.839508      13.46745 
1 1 1 -8  21 1  o 51.59811 7.232430 242.9745       61.97575 197.4240       94.25412 277.6691       82.25917 44.14511 12.12946 54.20964 9.215868 -10.06453      15.23338 
1 1 1 -8  21 2  o 44.01051 7.655457 179.1475       55.44538 218.8698       89.46233 154.3746       70.65001 46.92036 11.30017 39.73568 10.31975 7.184681       15.30330 
1 1 1 -8  21 3  o 108.3043 4.295102 1019.967       79.43664 1025.907       126.7835 1016.128       101.9231 106.8472 6.987084 107.3035 5.581593 -0.4563370     8.942792 
1 1 1 -8  21 4  o 16.24409 7.522104 -35.57879      49.45633 -50.53948      83.89970 -27.61211      61.22419 21.22701 9.818187 18.99767 8.636493 2.229343       13.07615 
1 1 1 -8  21 5  o 80.11933 5.106512 564.6592       69.50165 793.6229       113.3956 426.8921       87.96004 93.78976 7.133565 68.35009 7.668313 25.43967       10.47334 
1 1 1 -8  21 6  o 101.6015 4.397713 898.9305       76.30080 827.0329       111.8374 961.5372       104.3614 95.90451 6.874427 104.1277 5.893279 -8.223198      9.054749 
1 1 1 -8  21 7  o 101.0386 4.256772 888.2125       73.44621 868.4149       116.1780 901.3922       94.79183 98.16812 6.975698 101.0129 5.516179 -2.844765      8.893177 
1 1 1 -8  21 8  o 98.20965 4.510939 841.6030       75.65246 859.2820       118.5461 829.4562       98.26319 97.42962 7.175656 96.54794 5.989555 0.8816833      9.346914 
1 1 1 -8  21 9  o 48.96224 7.200564 220.2757       58.40647 226.5913       91.00169 215.8518       76.16339 47.38143 11.38815 47.13902 9.782013 0.2424164      15.01259 
1 1 1 -8  21 10 o 49.66982 6.757146 225.2233       55.82601 251.7939       87.58141 207.0395       72.45259 50.45324 10.50667 46.20755 9.499413 4.245686       14.16436 
1 1 1 -8  21 11 o 55.97064 6.275120 283.3227       58.94433 192.5238       88.36589 356.1118       79.11838 43.18555 11.69444 62.04227 7.628421 -18.85672      13.96255 
1 1 1 -8  21 12 o 54.94551 6.493388 274.8047       59.74857 225.6308       82.65105 328.6315       86.47295 47.46193 10.47794 58.65903 8.913133 -11.19710      13.75613 
1 1 1 -8  21 13 f 34.16635 9.104278 114.4784       54.07799 61.87103       71.47565 184.9099       82.70248 27.70807 10.68236 42.33467 11.24841 -14.62661      15.51257 
1 1 1 -7  0  1  o 198.4769 16.46589 3454.054       549.2438 3454.054       549.2438 3454.054       549.2438 198.4769 16.46589 198.4769 16.46589 0.000000       0.000000 
1 1 1 -7  0  2  f 142.4014 14.22851 1790.434       338.0759 1790.434       338.0759 1790.434       338.0759 142.4014 14.22851 142.4014 14.22851 0.000000       0.000000 
1 1 1 -7  0  3  o 248.9510 18.67484 5421.188       783.6418 5421.188       783.6418 5421.188       783.6418 248.9510 18.67484 248.9510 18.67484 -0.000000      0.000000 
1 1 1 -7  0  4  o 195.0892 24.23380 3437.489       773.7839 3437.489       773.7839 3437.489       773.7839 195.0892 24.23380 195.0892 24.23380 0.000000       0.000000 
1 1 1 -7  0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  8  o 106.9117 21.25318 1096.151       344.6170 1096.151       344.6170 1096.151       344.6170 106.9117 21.25318 106.9117 21.25318 0.000000       0.000000 
1 1 1 -7  0  9  f 225.8565 7.167106 4376.708       275.7953 4376.708       275.7953 4376.708       275.7953 225.8565 7.167106 225.8565 7.167106 0.000000       0.000000 
1 1 1 -7  0  10 o 46.49471 7.702161 199.4188       56.10697 199.4188       56.10697 199.4188       56.10697 46.49471 7.702161 46.49471 7.702161 -0.000000      0.000000 
1 1 1 -7  0  11 o 254.1250 5.949639 5528.145       257.8706 5528.145       257.8706 5528.145       257.8706 254.1250 5.949639 254.1250 5.949639 0.000000       0.000000 
1 1 1 -7  0  12 o 261.3560 6.115852 5846.187       272.6177 5846.187       272.6177 5846.187       272.6177 261.3560 6.115852 261.3560 6.115852 -0.000000      0.000000 
1 1 1 -7  0  13 o 82.81557 4.107846 590.0676       57.76756 590.0676       57.76756 590.0676       57.76756 82.81557 4.107846 82.81557 4.107846 0.000000       0.000000 
1 1 1 -7  0  14 o 184.9539 5.087201 2928.622       160.3987 2928.622       160.3987 2928.622       160.3987 184.9539 5.087201 184.9539 5.087201 0.000000       0.000000 
1 1 1 -7  0  15 o 78.56103 4.978461 533.5126       66.17397 533.5126       66.17397 533.5126       66.17397 78.56103 4.978461 78.56103 4.978461 -0.000000      0.000000 
1 1 1 -7  0  16 f 495.1951 8.294655 20981.88       700.9738 20981.88       700.9738 20981.88       700.9738 495.1951 8.294655 495.1951 8.294655 -0.000000      0.000000 
1 1 1 -7  0  17 o 317.7707 6.263314 8638.953       339.5777 8638.953       339.5777 8638.953       339.5777 317.7707 6.263314 317.7707 6.263314 -0.000000      0.000000 
1 1 1 -7  0  18 o 401.3990 7.064277 13786.98       483.8853 13786.98       483.8853 13786.98       483.8853 401.3990 7.064277 401.3990 7.064277 -0.000000      0.000000 
1 1 1 -7  0  19 o 374.4684 5.283721 11990.79       337.7242 11990.79       337.7242 11990.79       337.7242 374.4684 5.283721 374.4684 5.283721 0.000000       0.000000 
1 1 1 -7  0  20 o 155.7001 5.431985 2079.887       144.0288 2079.887       144.0288 2079.887       144.0288 155.7001 5.431985 155.7001 5.431985 0.000000       0.000000 
1 1 1 -7  0  21 f 184.3733 6.490610 2919.463       203.7808 2919.463       203.7808 2919.463       203.7808 184.3733 6.490610 184.3733 6.490610 0.000000       0.000000 
1 1 1 -7  0  22 o 121.0086 6.124672 1262.751       125.8215 1262.751       125.8215 1262.751       125.8215 121.0086 6.124672 121.0086 6.124672 -0.000000      0.000000 
1 1 1 -7  0  23 o 36.15057 16.01550 162.9971       104.2559 162.9971       104.2559 162.9971       104.2559 36.15057 16.01550 36.15057 16.01550 0.000000       0.000000 
1 1 1 -7  0  24 o 26.23051 14.33801 83.97906       91.60442 83.97906       91.60442 83.97906       91.60442 26.23051 14.33801 26.23051 14.33801 0.000000       0.000000 
1 1 1 -7  0  25 o 117.8022 7.744879 1206.794       154.2559 1206.794       154.2559 1206.794       154.2559 117.8022 7.744879 117.8022 7.744879 -0.000000      0.000000 
1 1 1 -7  0  26 o 21.03043 14.24640 -72.02840      152.0313 -72.02840      152.0313 -72.02840      152.0313 21.03043 14.24640 21.03043 14.24640 0.000000       0.000000 
1 1 1 -7  0  27 o 164.4128 6.218253 2327.550       174.0177 2327.550       174.0177 2327.550       174.0177 164.4128 6.218253 164.4128 6.218253 0.000000       0.000000 
1 1 1 -7  0  28 o 274.6137 6.750995 6486.248       316.1539 6486.248       316.1539 6486.248       316.1539 274.6137 6.750995 274.6137 6.750995 0.000000       0.000000 
1 1 1 -7  0  29 o 89.36372 7.932350 704.2588       118.8564 704.2588       118.8564 704.2588       118.8564 89.36372 7.932350 89.36372 7.932350 0.000000       0.000000 
1 1 1 -7  0  30 o 35.59449 15.66522 161.5116       99.76855 161.5116       99.76855 161.5116       99.76855 35.59449 15.66522 35.59449 15.66522 -0.000000      0.000000 
1 1 1 -7  0  31 o 17.27869 11.51063 -23.47382      91.88198 -23.47382      91.88198 -23.47382      91.88198 17.27869 11.51063 17.27869 11.51063 0.000000       0.000000 
1 1 1 -7  0  32 o 42.70615 13.23510 201.2006       84.51822 201.2006       84.51822 201.2006       84.51822 42.70615 13.23510 42.70615 13.23510 -0.000000      0.000000 
1 1 1 -7  0  33 o 26.89040 14.45097 97.11935       91.56937 97.11935       91.56937 97.11935       91.56937 26.89040 14.45097 26.89040 14.45097 -0.000000      0.000000 
1 1 1 -7  0  34 o 96.50648 7.086122 827.0421       115.3325 827.0421       115.3325 827.0421       115.3325 96.50648 7.086122 96.50648 7.086122 0.000000       0.000000 
1 1 1 -7  0  35 o 21.32654 12.90980 48.45850       86.68245 48.45850       86.68245 48.45850       86.68245 21.32654 12.90980 21.32654 12.90980 -0.000000      0.000000 
1 1 1 -7  0  36 o 40.28630 17.46022 228.7393       124.0100 228.7393       124.0100 228.7393       124.0100 40.28630 17.46022 40.28630 17.46022 0.000000       0.000000 
1 1 1 -7  1  1  o 389.9535 7.422801 13020.24       494.2908 12838.87       698.8053 13201.85       699.2603 386.6674 10.58319 392.1247 10.44270 -5.457367      14.86788 
1 1 1 -7  1  2  o 318.5516 9.553040 8702.314       519.6648 8417.116       563.8047 10312.76       1339.762 313.1389 10.54362 342.4740 23.04260 -29.33508      25.34027 
1 1 1 -7  1  3  o 261.9452 15.62532 5946.305       695.7605 6235.575       1205.117 5801.679       852.1204 264.4801 27.06421 257.6707 19.51042 6.809418       33.36357 
1 1 1 -7  1  4  o 175.0685 15.22843 2665.300       450.7307 2883.829       637.4216 2446.760       637.4374 180.7284 21.04799 165.6878 23.16242 15.04060       31.29721 
1 1 1 -7  1  5  o 372.7468 37.81514 12824.35       2373.708 12824.35       2373.708 0.000000       0.000000 372.7468 37.81514 ?        ?        0.000000       37.81514 
1 1 1 -7  1  6  o 267.8520 28.80520 6472.522       1296.844 0.000000       0.000000 6472.522       1296.844 ?        ?        267.8520 28.80520 0.000000       28.80520 
1 1 1 -7  1  7  f 291.9395 31.03292 7802.151       1523.376 0.000000       0.000000 7802.151       1523.376 ?        ?        291.9395 31.03292 0.000000       31.03292 
1 1 1 -7  1  8  o 302.0199 8.444935 7827.805       435.5458 7430.611       1487.590 7865.046       455.5071 284.0011 31.18678 302.6695 8.813015 -18.66840      32.40809 
1 1 1 -7  1  9  o 163.9058 6.196231 2300.136       173.4299 2072.878       532.8013 2327.069       183.4189 152.1081 21.07868 164.8387 6.516029 -12.73051      22.06285 
1 1 1 -7  1  10 o 168.0563 3.825561 2413.713       109.7872 2418.730       138.3655 2405.187       180.3857 168.1851 4.817686 167.6258 6.301724 0.5593109      7.932327 
1 1 1 -7  1  11 o 180.1238 3.797633 2772.226       116.8116 2723.430       146.4372 2857.600       193.6960 178.4927 4.804289 182.7658 6.206174 -4.273087      7.848426 
1 1 1 -7  1  12 o 284.5832 5.378598 6922.740       261.3848 6809.101       325.1896 7130.188       439.3681 282.1468 6.749312 288.5327 8.917261 -6.385925      11.18350 
1 1 1 -7  1  13 o 407.3439 5.601569 14182.16       389.6483 14004.86       550.7897 14359.79       551.3026 404.5759 7.972305 409.6803 7.880305 -5.104370      11.20968 
1 1 1 -7  1  14 o 291.4260 4.529936 7256.331       225.4355 6900.087       317.8575 7616.895       319.7790 284.0792 6.552259 298.4876 6.273671 -14.40839      9.071442 
1 1 1 -7  1  15 o 268.0104 4.526137 6137.370       207.1483 5981.925       292.4104 6293.971       293.4964 264.4969 6.473963 271.3163 6.334684 -6.819366      9.057617 
1 1 1 -7  1  16 o 100.4243 3.625646 861.5164       62.17645 951.8438       84.09646 752.6067       92.34245 105.5406 4.666126 93.64686 5.802976 11.89369       7.446291 
1 1 1 -7  1  17 o 246.6414 4.238947 5197.980       178.5361 5270.309       255.2344 5128.683       249.8287 248.2554 6.020583 244.9000 5.973813 3.355423       8.481382 
1 1 1 -7  1  18 o 365.3624 4.726271 11410.74       294.8794 11454.09       416.1182 11367.02       417.9325 365.8505 6.660566 364.4506 6.715302 1.399933       9.458245 
1 1 1 -7  1  19 f 158.9681 4.238117 2160.217       115.0495 2189.108       165.6476 2133.292       159.9131 159.9301 6.065309 157.8863 5.931134 2.043839       8.483296 
1 1 1 -7  1  20 o 177.7356 3.476938 2699.907       105.5294 2690.747       146.5293 2709.777       152.1092 177.3521 4.838227 177.9663 5.005136 -0.6141663     6.961309 
1 1 1 -7  1  21 o 249.8402 3.903298 5338.039       166.5313 5466.522       234.4181 5207.132       236.6190 252.6423 5.433541 246.5492 5.620100 6.093140       7.817218 
1 1 1 -7  1  22 o 187.9830 4.203474 3023.950       134.9363 2984.909       166.4182 3098.879       230.5475 186.6531 5.221120 189.9059 7.109191 -3.252716      8.820471 
1 1 1 -7  1  23 o 72.75349 7.566751 460.5073       92.63268 447.1864       142.4272 470.2730       121.9487 70.64978 12.24935 73.02606 10.04500 -2.376282      15.84136 
1 1 1 -7  1  24 o 59.61119 6.294013 308.7673       63.10163 329.6557       87.50885 286.1410       91.07641 61.17675 8.615137 56.66918 9.763910 4.507568       13.02131 
1 1 1 -7  1  25 o 62.31906 7.781520 340.4386       81.00612 329.2188       133.3725 346.9968       101.9688 59.97171 13.36487 62.44773 9.891623 -2.476017      16.62721 
1 1 1 -7  1  26 o 24.17398 10.59406 -17.30335      83.63303 -98.12629      179.6674 5.053568       94.49481 32.36788 14.74562 27.32312 11.60949 5.044765       18.76735 
1 1 1 -7  1  27 o 139.4599 4.340112 1667.449       103.3599 1577.603       144.4396 1761.741       147.9704 135.3536 6.249057 143.0716 6.056469 -7.717972      8.702387 
1 1 1 -7  1  28 o 65.12866 6.343438 369.1015       69.65482 447.0898       92.16566 265.2276       106.3672 71.45537 7.673397 53.82069 11.89031 17.63468       14.15134 
1 1 1 -7  1  29 o 70.86617 6.256898 437.3131       74.94055 458.8278       100.6699 410.5713       112.2347 72.07614 8.332728 67.62456 10.02238 4.451584       13.03390 
1 1 1 -7  1  30 o 48.10637 8.718429 209.6141       68.98414 217.1952       92.17098 199.9593       104.0161 48.23769 11.37443 46.07995 12.77456 2.157745       17.10459 
1 1 1 -7  1  31 o 83.90171 5.117917 611.3088       72.97671 623.0148       101.6685 598.8676       104.8126 84.04332 7.152051 82.23872 7.547592 1.804596       10.39798 
1 1 1 -7  1  32 o 116.3115 4.496545 1169.913       89.31073 1079.669       124.7179 1264.899       127.9532 110.7365 6.625742 120.0786 6.261677 -9.342064      9.116417 
1 1 1 -7  1  33 o 18.75416 8.523089 -29.32189      59.56669 10.30422       84.82677 -67.87029      83.66530 25.46880 10.91466 20.54631 9.604843 4.922493       14.53901 
1 1 1 -7  1  34 o 35.47665 10.28179 122.0799       65.90164 158.5384       90.97476 81.82426       95.59478 39.75697 12.21795 31.97099 12.34605 7.785980       17.36961 
1 1 1 -7  1  35 o 44.10386 10.53474 193.1588       78.25256 166.3427       118.0398 214.1843       104.5210 39.98355 14.00360 45.12804 12.91069 -5.144497      19.04696 
1 1 1 -7  1  36 o 37.99677 11.82752 151.1155       84.94453 206.2621       128.1503 107.8963       113.4483 42.56393 14.60877 34.05654 13.36541 8.507389       19.80026 
1 1 1 -7  2  1  o 360.2537 6.881663 11112.11       423.3541 10857.04       611.4183 11347.04       586.7683 355.5317 10.07067 363.5948 9.450331 -8.063141      13.81040 
1 1 1 -7  2  2  o 531.1090 9.347290 24200.43       847.7569 22256.80       1198.445 26147.06       1199.374 507.8964 13.81787 550.9236 12.74857 -43.02728      18.80052 
1 1 1 -7  2  3  o 266.9436 7.667623 6103.565       349.5282 6158.909       365.2167 5500.589       1205.497 268.1163 7.976740 246.7525 29.17356 21.36377       30.24442 
1 1 1 -7  2  4  o 53.48245 11.82402 255.6589       105.1187 233.6369       148.7725 277.6146       148.5484 51.73327 15.56821 55.76740 15.18802 -4.034126      21.74960 
1 1 1 -7  2  5  o 300.8993 17.35312 7890.882       887.8799 7984.952       1537.840 7843.846       1087.431 296.3801 30.83657 298.3986 21.48419 -2.018463      37.58276 
1 1 1 -7  2  6  o 38.17494 8.595289 129.9754       54.68317 103.6740       95.18823 142.9311       66.80714 36.44007 12.58578 40.00151 9.846392 -3.561440      15.97978 
1 1 1 -7  2  7  o 87.02338 6.387933 651.9136       94.26554 465.5039       145.6806 786.1810       123.6382 72.50259 12.19967 95.45930 7.648839 -22.95671      14.39919 
1 1 1 -7  2  8  o 135.9295 5.035310 1580.516       116.8804 1693.375       181.2955 1500.245       152.8969 140.3318 7.593603 132.1597 6.797843 8.172150       10.19183 
1 1 1 -7  2  9  o 179.0896 4.702583 2742.652       143.8165 2883.728       213.2240 2624.906       194.7974 183.4859 6.805050 175.0813 6.515404 8.404602       9.421210 
1 1 1 -7  2  10 o 297.1345 6.399782 7556.168       324.7284 7533.941       450.8234 7580.134       468.1363 296.3705 8.907781 297.2289 9.223151 -0.8584290     12.82244 
1 1 1 -7  2  11 o 346.8953 6.059947 10291.59       358.9791 10232.55       443.5126 10403.74       611.2803 345.7465 7.511838 348.2440 10.27909 -2.497467      12.73136 
1 1 1 -7  2  12 o 154.0298 4.001526 2026.891       105.2525 1988.740       129.3113 2101.783       181.1763 152.5498 4.963899 156.7662 6.767793 -4.216385      8.393051 
1 1 1 -7  2  13 o 415.6439 6.566352 14771.24       466.0661 14599.64       579.3240 15086.07       784.6855 413.0610 8.213067 419.5322 10.95288 -6.471222      13.69014 
1 1 1 -7  2  14 o 732.6431 9.809803 45975.48       1227.311 41604.10       1734.880 50354.93       1736.481 695.6124 14.60495 765.7411 13.27964 -70.12866      19.73964 
1 1 1 -7  2  15 o 251.5787 3.500453 5406.390       150.3835 5038.411       210.9707 5786.499       214.4199 242.8078 5.088122 260.2219 4.825244 -17.41403      7.012272 
1 1 1 -7  2  16 o 234.9123 3.888407 4714.515       155.9838 3331.784       206.8955 6535.542       237.4326 197.3953 6.137796 276.5304 5.028003 -79.13515      7.934315 
1 1 1 -7  2  17 f 409.0097 4.970372 14299.14       347.1558 15083.49       492.0424 13521.71       489.8697 419.8714 6.862530 397.4969 7.216805 22.37457       9.958744 
1 1 1 -7  2  18 o 540.2424 6.109460 24970.11       563.6292 25531.71       806.5574 24434.13       787.9522 545.7336 8.654712 533.8774 8.642838 11.85620       12.23122 
1 1 1 -7  2  19 o 327.4596 4.374143 9167.533       244.5979 9517.181       345.9412 8817.998       345.8860 333.4444 6.075428 320.9307 6.311315 12.51373       8.760338 
1 1 1 -7  2  20 o 30.84394 8.243377 84.52846       44.25046 84.88036       54.39308 83.83974       76.09428 31.28347 9.413286 32.68362 11.25492 -1.400156      14.67253 
1 1 1 -7  2  21 f 258.8564 4.446697 5733.467       196.5615 5859.607       327.7810 5662.634       245.6267 261.2066 7.348482 257.0927 5.594792 4.113953       9.235902 
1 1 1 -7  2  22 o 214.6806 5.476120 3950.378       200.7556 3826.541       292.2817 4060.980       276.2212 210.8014 8.119443 217.3096 7.443481 -6.508194      11.01502 
1 1 1 -7  2  23 o 171.6059 3.919701 2520.231       114.8648 2385.748       157.7202 2672.124       167.6181 166.7728 5.538093 176.4951 5.561427 -9.722351      7.848563 
1 1 1 -7  2  24 o 152.7238 4.031550 1997.124       105.1431 1847.607       145.7031 2159.584       151.8787 146.6734 5.817221 158.6065 5.607562 -11.93312      8.079902 
1 1 1 -7  2  25 o 28.74832 9.946788 65.28027       59.46776 89.32528       81.54768 37.97011       86.90827 33.52944 11.64524 28.96653 11.59104 4.562904       16.43058 
1 1 1 -7  2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  2  27 o 230.0181 6.284193 4557.143       246.8388 4557.143       246.8388 0.000000       0.000000 230.0181 6.284193 ?        ?        0.000000       6.284193 
1 1 1 -7  2  28 o 53.46392 8.656541 254.6123       76.33095 267.8398       100.1842 236.3081       117.8516 54.23335 11.18892 50.57295 13.42302 3.660397       17.47482 
1 1 1 -7  2  29 o 54.69521 7.646174 265.0279       69.46348 261.1393       97.77630 268.9905       98.70264 53.33455 11.09680 54.16222 11.04598 -0.8276672     15.65736 
1 1 1 -7  2  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  2  31 o 110.1882 4.672374 1048.563       87.91735 987.2213       120.9077 1117.386       128.0689 106.0841 6.708796 112.9009 6.672330 -6.816811      9.461920 
1 1 1 -7  2  32 o 121.2249 4.312690 1269.944       89.27751 1302.155       121.2961 1231.865       131.8822 122.1563 5.814722 118.3049 6.553606 3.851425       8.761321 
1 1 1 -7  2  33 o 31.47230 9.848797 91.65059       58.81191 72.45358       81.30679 112.7167       85.17306 30.46186 11.47730 34.97645 11.91098 -4.514587      16.54085 
1 1 1 -7  2  34 o 28.21573 10.90678 59.34753       74.66361 15.12012       110.1876 96.89376       101.5243 28.21642 12.26689 33.62035 12.78733 -5.403929      17.71983 
1 1 1 -7  2  35 o 70.06746 6.673799 443.9900       78.88805 451.5009       119.9030 438.2570       104.7543 67.87646 10.69878 67.92222 9.273806 -0.4576111E-01 14.15865 
1 1 1 -7  2  36 o 25.99732 10.89940 34.47546       81.50474 -1.734469      125.3521 60.99588       107.2773 27.84656 12.53722 30.13947 12.55964 -2.292915      17.74617 
1 1 1 -7  3  1  o 743.8997 13.57132 47842.47       1724.005 49097.02       2438.005 46587.72       2438.216 749.0932 19.05886 729.2116 19.58018 19.88159       27.32441 
1 1 1 -7  3  2  o 491.8818 7.980365 20746.10       670.3250 20913.51       947.7960 20578.55       948.1695 492.8289 11.26203 488.8309 11.35861 3.997986       15.99536 
1 1 1 -7  3  3  o 257.6515 5.795298 5680.757       254.9825 5476.383       360.0326 5886.424       361.1696 252.6725 8.344148 261.9998 8.072505 -9.327332      11.60991 
1 1 1 -7  3  4  o 220.6477 6.857826 4170.051       258.3972 4201.411       281.5588 4002.628       650.5695 221.4133 7.446693 213.4894 18.01319 7.923935       19.49174 
1 1 1 -7  3  5  o 132.3436 4.572281 1497.627       103.3327 2008.899       142.8822 937.0024       149.6195 153.2311 5.460462 104.1585 8.485611 49.07267       10.09070 
1 1 1 -7  3  6  o 270.5085 8.082304 6277.244       373.3516 6453.175       1269.318 6260.581       390.6317 266.0823 28.37285 270.0872 8.469571 -4.004944      29.61000 
1 1 1 -7  3  7  o 89.83279 4.364685 689.9717       66.95604 716.4288       103.0669 670.6531       88.07166 91.21563 6.662899 88.32417 5.872687 2.891464       8.881592 
1 1 1 -7  3  8  o 256.2137 5.277025 5615.554       230.8838 5681.323       322.5607 5546.455       330.6266 257.4844 7.335987 254.3746 7.611358 3.109772       10.57116 
1 1 1 -7  3  9  o 224.7295 5.153708 4318.867       197.7797 4271.821       274.3371 4369.783       285.3962 223.3371 7.193196 225.8634 7.399466 -2.526352      10.31960 
1 1 1 -7  3  10 o 60.79010 6.281614 319.4758       64.26845 298.0690       93.08487 338.9756       88.84213 58.18295 9.711031 62.32218 8.574965 -4.139229      12.95508 
1 1 1 -7  3  11 o 338.8982 5.799527 9818.936       335.6323 9917.397       411.8267 9624.182       579.1928 340.4865 7.082925 335.0838 10.12203 5.402740       12.35408 
1 1 1 -7  3  12 o 427.3203 7.200097 15617.73       525.4045 15462.38       643.7117 15927.76       909.3912 425.0030 8.869468 430.8285 12.36074 -5.825562      15.21365 
1 1 1 -7  3  13 o 226.3748 5.332099 4379.499       206.1238 3874.619       251.5824 5410.459       359.5068 212.8603 6.921236 251.4449 8.372641 -38.58456      10.86299 
1 1 1 -7  3  14 o 172.8813 3.355492 2552.901       99.06181 2509.771       123.9887 2629.024       164.7224 171.3954 4.236246 175.3835 5.499991 -3.988174      6.942311 
1 1 1 -7  3  15 o 199.8530 4.005372 3412.302       136.6959 3345.361       174.9405 3517.252       219.0467 197.8441 5.178038 202.8145 6.324638 -4.970398      8.173929 
1 1 1 -7  3  16 o 19.56148 8.593327 -15.08781      55.31984 82.03161       74.85188 -131.9848      82.12047 32.45369 11.16341 18.13574 8.761223 14.31795       14.19087 
1 1 1 -7  3  17 o 178.1437 3.876308 2711.562       117.9209 2693.470       162.3826 2731.748       171.5231 177.4914 5.357477 178.7361 5.619642 -1.244675      7.764209 
1 1 1 -7  3  18 o 389.3020 4.766874 12957.64       316.9001 12998.86       447.0860 12916.03       449.2506 389.6639 6.718912 388.4120 6.773202 1.251892       9.540442 
1 1 1 -7  3  19 o 239.9472 5.003525 4924.958       205.0188 5150.345       250.0048 4462.149       358.2500 245.2809 5.968741 227.8957 9.205515 17.38513       10.97121 
1 1 1 -7  3  20 f 151.3268 5.883274 1961.542       152.0327 2079.085       367.4630 1937.266       166.9960 154.0127 14.12942 150.3339 6.505000 3.678833       15.55492 
1 1 1 -7  3  21 o 243.8417 4.190271 5087.042       174.4826 4785.798       245.8414 5392.807       247.6801 236.2460 6.093805 250.8343 5.782322 -14.58824      8.400578 
1 1 1 -7  3  22 o 122.3478 3.664417 1280.416       76.56022 1420.217       111.4520 1155.504       105.3504 128.7477 5.069284 116.1111 5.313256 12.63655       7.343591 
1 1 1 -7  3  23 o 221.3263 3.811577 4192.122       144.0587 4303.417       202.1413 4077.259       205.3564 224.0085 5.284315 217.9999 5.516325 6.008591       7.638968 
1 1 1 -7  3  24 o 66.80855 5.553144 385.7982       62.77971 420.7261       87.91331 349.4516       89.68092 69.44939 7.533640 63.01028 8.555904 6.439114       11.39997 
1 1 1 -7  3  25 o 173.9700 3.871809 2591.871       115.0245 2633.471       158.4059 2545.471       167.2962 175.1340 5.296624 172.1090 5.692205 3.024948       7.775309 
1 1 1 -7  3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3  27 o 123.6252 4.613232 1311.310       97.38996 1244.266       127.9068 1403.800       150.2314 120.0185 6.262554 127.3383 6.934889 -7.319801      9.344104 
1 1 1 -7  3  28 o 66.47279 8.424491 390.1211       93.48297 362.2850       163.9308 403.5356       113.8003 62.02238 15.51646 67.11337 10.25513 -5.090988      18.59914 
1 1 1 -7  3  29 o 45.09533 10.42336 186.9531       78.65998 160.4718       105.6731 219.8587       117.7956 42.06892 13.20782 48.45251 13.65222 -6.383591      18.99551 
1 1 1 -7  3  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3  31 o 39.63781 9.749431 146.4413       65.53560 96.60856       85.56340 217.1665       101.9337 33.80426 11.91640 47.57749 12.41490 -13.77323      17.20844 
1 1 1 -7  3  32 o 74.18626 5.393138 481.5114       67.85557 497.9375       92.03539 461.9487       100.4389 74.71319 7.307202 71.45789 8.390627 3.255302       11.12645 
1 1 1 -7  3  33 o 24.42709 10.30455 16.73745       73.58372 63.34650       111.0287 -19.76976      98.26292 31.98962 12.99465 25.10989 11.21795 6.879725       17.16693 
1 1 1 -7  3  34 o 25.82260 10.51991 36.70617       73.03281 -95.93669      105.3301 159.5204       101.3526 22.03840 10.44693 39.63601 12.98332 -17.59760      16.66448 
1 1 1 -7  3  35 o 69.61643 6.993149 441.4397       82.01147 648.0330       129.7723 304.0670       105.8216 82.54524 9.372520 54.66892 11.68930 27.87632       14.98278 
1 1 1 -7  3  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  4  1  o 317.1622 6.730852 8614.784       364.5469 8088.860       515.2402 9141.964       515.8546 306.8049 9.834348 326.2846 9.258248 -19.47974      13.50665 
1 1 1 -7  4  2  o 175.4516 4.302861 2631.691       128.9189 2483.958       185.9632 2768.386       178.8807 170.3261 6.393575 179.8562 5.824199 -9.530060      8.648646 
1 1 1 -7  4  3  o 166.4018 4.301746 2367.247       122.2376 2421.897       176.9748 2317.388       169.0383 168.1987 6.161506 164.5397 6.016067 3.659012       8.611458 
1 1 1 -7  4  4  o 191.8215 4.961519 3147.077       162.5226 3490.640       271.5993 2955.435       202.8480 201.7589 7.883047 185.7847 6.393798 15.97421       10.15003 
1 1 1 -7  4  5  o 284.2734 4.898778 6911.328       237.8077 7101.876       398.7910 6806.178       296.2429 287.7516 8.115692 281.9684 6.152416 5.783295       10.18414 
1 1 1 -7  4  6  o 150.3390 3.565079 1931.438       91.52564 1931.837       114.9485 1930.747       151.2840 150.3180 4.478066 150.2024 5.898128 0.1156006      7.405470 
1 1 1 -7  4  7  o 439.8799 6.768964 16567.27       508.4618 17565.88       631.9471 14733.95       856.2509 452.6542 8.175462 413.5591 12.12444 39.09512       14.62327 
1 1 1 -7  4  8  o 210.5804 5.726003 3792.819       205.9072 3580.051       298.9819 3984.784       283.9896 204.3692 8.566976 215.6915 7.710231 -11.32237      11.52566 
1 1 1 -7  4  9  o 192.8372 4.755857 3178.263       156.6108 2964.966       218.5646 3403.337       224.5175 186.1523 6.875583 199.4563 6.591747 -13.30403      9.524956 
1 1 1 -7  4  10 o 322.0308 7.237901 8871.814       398.0266 8978.385       551.8873 8756.296       574.5878 323.6750 9.984797 319.5807 10.52868 4.094360       14.51032 
1 1 1 -7  4  11 o 293.3315 5.698665 7354.489       285.4525 6589.966       385.4714 8282.818       424.7646 277.5136 8.134035 311.1342 7.994635 -33.62057      11.40512 
1 1 1 -7  4  12 o 199.0251 4.499900 3384.288       152.9371 3295.050       188.8091 3554.551       260.7990 196.3478 5.631120 203.8539 7.491778 -7.506104      9.372100 
1 1 1 -7  4  13 o 258.1043 5.233524 5693.224       230.6702 5421.617       283.5450 6224.756       396.6584 251.8051 6.594100 269.6744 8.613406 -17.86937      10.84772 
1 1 1 -7  4  14 o 561.7870 7.497951 27001.21       719.3102 27058.23       881.6008 26887.68       1244.108 562.0991 9.184536 559.4797 13.02182 2.619324       15.93498 
1 1 1 -7  4  15 o 196.1048 3.387118 3285.048       113.4280 3618.747       144.5003 2749.347       183.0851 205.8024 4.111652 179.3194 5.978934 26.48303       7.256262 
1 1 1 -7  4  16 o 427.2453 4.870073 15601.92       355.3159 15798.56       436.9849 15218.24       610.3900 429.8189 5.953591 421.5145 8.479943 8.304382       10.36121 
1 1 1 -7  4  17 o 214.1291 4.851903 3919.800       177.4147 3983.618       187.0135 3345.559       560.9812 215.8526 5.073572 195.7655 16.94790 20.08714       17.69103 
1 1 1 -7  4  18 o 230.0600 5.303413 4527.525       208.3524 4188.150       289.0823 4894.391       300.5625 221.0471 7.658340 238.9936 7.364557 -17.94644      10.62482 
1 1 1 -7  4  19 o 229.7443 4.860269 4515.457       190.6808 4495.663       274.3522 4533.952       265.2070 229.0005 7.015684 230.0077 6.752128 -1.007187      9.737097 
1 1 1 -7  4  20 o 55.54844 4.999856 266.2626       46.91941 285.3762       57.95922 229.9214       79.91914 57.39710 6.002085 50.84517 9.555291 6.551933       11.28400 
1 1 1 -7  4  21 f 184.0372 3.844631 2897.215       120.8265 2919.342       169.8459 2874.544       171.9220 184.5755 5.388640 183.1404 5.497249 1.435074       7.697868 
1 1 1 -7  4  22 o 119.0423 3.497359 1212.079       71.09572 1240.565       98.59265 1181.220       102.6171 120.3407 4.797667 117.4005 5.118560 2.940178       7.015501 
1 1 1 -7  4  23 o 240.0475 4.227481 4934.544       173.2929 4869.191       242.5770 5002.658       247.6480 238.1053 5.965938 241.3362 6.009114 -3.230972      8.467695 
1 1 1 -7  4  24 o 99.12054 3.890605 841.2413       65.85409 720.3916       93.07850 962.3678       93.18507 91.35567 5.999746 105.9045 5.152640 -14.54887      7.908645 
1 1 1 -7  4  25 o 65.87267 13.48239 397.0204       146.5531 364.0279       216.5291 424.9106       199.0830 62.48972 18.77644 67.27132 17.24851 -4.781593      25.49639 
1 1 1 -7  4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  4  27 o 260.1131 4.598629 5805.888       204.2643 5568.999       285.4176 6054.608       292.4578 254.0890 6.577986 264.9822 6.463155 -10.89317      9.221836 
1 1 1 -7  4  28 o 233.5121 4.418488 4682.003       176.1915 4761.123       248.1754 4601.599       250.1817 234.8449 6.188360 230.8114 6.347404 4.033478       8.864838 
1 1 1 -7  4  29 o 169.5882 4.245639 2472.524       122.9534 2453.118       168.7048 2494.510       179.5679 168.3990 5.866595 169.6864 6.196972 -1.287460      8.533428 
1 1 1 -7  4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  4  31 o 95.52376 4.943595 792.2943       80.36491 788.9513       111.2948 795.9364       116.1680 94.56524 6.940417 94.85742 7.225909 -0.2921829     10.01914 
1 1 1 -7  4  32 o 30.64832 10.98901 78.34585       73.05987 87.23481       105.2297 70.07341       101.5149 33.82127 12.98161 32.07871 12.62578 1.742561       18.10891 
1 1 1 -7  4  33 o 109.8559 4.936825 1052.738       92.61322 927.8282       135.0741 1163.557       127.2276 101.2363 7.875259 114.4185 6.538661 -13.18221      10.23591 
1 1 1 -7  4  34 o 53.78662 8.490362 271.0654       75.39606 184.7370       118.6082 329.6028       97.66858 41.92010 14.05681 58.37189 10.16777 -16.45180      17.34870 
1 1 1 -7  4  35 o 72.54132 6.904945 479.6476       84.50365 502.9458       119.0817 456.0143       119.9353 71.97881 9.954537 67.88601 10.70016 4.092796       14.61459 
1 1 1 -7  5  1  o 345.4379 6.547526 10209.95       386.2327 9599.295       557.9805 10771.68       535.1647 334.5187 9.767799 354.5076 8.840158 -19.98886      13.17415 
1 1 1 -7  5  2  o 70.30112 3.948862 423.6621       47.21433 457.7890       73.95713 400.1854       61.34092 72.90933 5.993169 68.20531 5.308413 4.704025       8.006081 
1 1 1 -7  5  3  o 302.7492 5.123270 7837.090       264.8696 7787.071       448.9972 7863.787       328.0256 301.3754 8.724366 303.1505 6.336473 -1.775024      10.78265 
1 1 1 -7  5  4  o 173.1508 3.794996 2561.875       112.2116 2513.497       186.3165 2589.410       140.5637 171.3877 6.366045 174.0415 4.729533 -2.653824      7.930637 
1 1 1 -7  5  5  o 157.3235 3.430654 2114.576       92.16639 2076.332       132.2115 2150.732       128.5515 155.8424 4.968000 158.6188 4.745921 -2.776337      6.870574 
1 1 1 -7  5  6  o 178.9304 3.544089 2735.281       108.2906 2784.352       155.0431 2688.541       151.3168 180.4731 5.030813 177.3423 4.996583 3.130814       7.090481 
1 1 1 -7  5  7  o 396.6823 7.012595 13464.12       475.0326 13885.23       581.6867 12620.99       823.0837 402.6437 8.459920 383.1625 12.57938 19.48123       15.15952 
1 1 1 -7  5  8  o 364.3079 7.071352 11353.69       439.9192 11399.40       546.4448 11269.50       741.6066 364.8535 8.770531 362.3088 11.98651 2.544678       14.85256 
1 1 1 -7  5  9  o 106.7022 4.446310 972.7703       81.01681 1085.229       100.3556 762.3234       137.2828 112.6871 5.215135 93.97506 8.651801 18.71206       10.10204 
1 1 1 -7  5  10 o 135.2565 4.128765 1562.873       95.36308 1408.448       125.0993 1777.090       147.3414 128.3689 5.706809 144.1855 5.984131 -15.81664      8.269068 
1 1 1 -7  5  11 o 126.4652 4.254492 1366.358       91.87995 1357.519       133.0252 1374.422       127.0560 126.0152 6.181719 126.8049 5.867554 -0.7897339     8.523018 
1 1 1 -7  5  12 o 363.3828 6.788665 11291.89       421.2605 11044.67       574.4636 11579.47       619.5980 359.1346 9.367059 367.6678 9.868528 -8.533203      13.60624 
1 1 1 -7  5  13 o 388.0888 5.070403 12871.50       336.0280 12712.11       410.6735 13194.40       584.5168 385.5885 6.236928 392.5775 8.719059 -6.989044      10.72013 
1 1 1 -7  5  14 o 610.8942 8.411950 31950.67       877.5355 33911.64       1219.782 29846.89       1263.413 628.6616 11.36222 589.4633 12.55124 39.19830       16.93026 
1 1 1 -7  5  15 o 219.9958 3.969583 4135.160       149.1287 3911.754       184.3086 4558.712       253.7770 213.9263 5.045211 230.8617 6.437223 -16.93532      8.178753 
1 1 1 -7  5  16 o 335.8306 7.196780 9654.711       412.7246 9486.109       422.0760 13333.64       1971.608 332.8575 7.425582 385.4373 30.19619 -52.57983      31.09580 
1 1 1 -7  5  17 o 103.1107 6.599331 913.9291       115.5902 913.2589       229.5594 914.1567       133.7885 101.9858 13.51398 103.0032 7.660987 -1.017319      15.53442 
1 1 1 -7  5  18 o 178.2512 3.191772 2715.021       97.15525 2661.631       117.9589 2827.633       171.3141 176.4555 3.914655 181.7705 5.519095 -5.314987      6.766457 
1 1 1 -7  5  19 o 174.4175 4.065400 2601.548       121.0864 2567.236       150.4581 2664.623       203.9978 173.1869 5.087433 176.2743 6.776956 -3.087418      8.474025 
1 1 1 -7  5  20 o 107.8576 4.024477 995.1477       74.12459 912.8527       90.73840 1160.232       128.5160 103.2403 5.146832 116.1056 6.508127 -12.86528      8.297324 
1 1 1 -7  5  21 o 56.63710 4.965853 276.8838       47.54334 251.3801       59.77612 320.7952       78.43604 53.69628 6.662127 60.56812 7.762090 -6.871841      10.22907 
1 1 1 -7  5  22 o 66.32466 4.585271 378.6090       51.61402 442.7968       65.81195 276.0442       83.19128 71.64835 5.419006 55.82154 9.035994 15.82681       10.53636 
1 1 1 -7  5  23 o 38.24125 6.115811 128.7687       38.59236 187.6279       48.52108 27.41541       63.67112 46.29863 6.300707 24.85721 9.930207 21.44141       11.76044 
1 1 1 -7  5  24 o 42.39672 5.718254 157.1935       40.34362 154.9160       53.27885 160.2546       61.76647 41.70030 7.767743 42.23679 8.847063 -0.5364876     11.77320 
1 1 1 -7  5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  5  26 o 288.9760 4.684550 7164.882       231.1701 7112.632       322.7624 7219.917       331.2505 287.2428 6.580090 289.3485 6.703990 -2.105774      9.393672 
1 1 1 -7  5  27 o 143.5067 4.437125 1767.036       108.7366 1682.860       143.6773 1879.883       166.3571 139.7599 6.020102 147.5810 6.600986 -7.821152      8.933904 
1 1 1 -7  5  28 o 74.60910 5.854007 483.3515       73.98557 542.6514       98.01646 404.8198       112.7961 78.71095 7.378365 67.07646 10.16602 11.63448       12.56138 
1 1 1 -7  5  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  5  30 o 60.66082 7.994464 329.4356       80.79576 313.0010       106.1951 352.0244       124.5007 57.91120 11.14292 60.95007 12.38412 -3.038864      16.65927 
1 1 1 -7  5  31 o 31.13284 14.49336 -111.6042      187.3822 0.000000       0.000000 -111.6042      187.3822 ?        ?        31.13284 14.49336 0.000000       14.49336 
1 1 1 -7  5  32 o 30.10225 11.11382 72.67013       75.48219 103.8185       100.5069 32.37339       114.3176 34.87376 12.83298 30.30571 12.81734 4.568047       18.13751 
1 1 1 -7  5  33 o 58.42377 8.089980 314.3860       78.54623 158.6693       104.9560 512.6208       118.4213 39.79819 13.22062 73.81584 9.623508 -34.01765      16.35227 
1 1 1 -7  5  34 o 46.92334 10.39664 216.9636       81.11536 134.0346       112.3313 307.3231       117.2559 37.03213 13.57598 54.34145 12.83963 -17.30932      18.68591 
1 1 1 -7  5  35 o 25.29658 10.59611 30.77297       76.91926 0.8020070      112.8398 56.78808       105.1295 26.95053 12.03213 29.79974 12.42696 -2.849215      17.29744 
1 1 1 -7  6  1  o 747.3708 11.24447 47895.67       1435.084 51161.79       2484.734 46260.82       1757.931 769.4457 18.91037 733.6355 14.03200 35.81018       23.54780 
1 1 1 -7  6  2  o 292.5018 5.058103 7311.765       252.6493 7801.224       435.9464 7064.232       310.0211 301.8882 8.456388 287.4352 6.316105 14.45303       10.55480 
1 1 1 -7  6  3  o 257.5093 4.337073 5665.704       190.7180 5342.138       318.7135 5846.199       238.0410 249.8808 7.469056 261.5335 5.329943 -11.65268      9.175788 
1 1 1 -7  6  4  o 379.4559 5.174872 12305.96       335.3226 12402.24       469.8359 12205.99       478.7247 380.7625 7.225870 377.7183 7.421914 3.044159       10.35847 
1 1 1 -7  6  5  o 18.04923 5.491718 27.91703       18.43795 36.83788       24.72712 16.74568       27.67090 20.76551 6.367824 17.30239 6.653166 3.463123       9.209440 
1 1 1 -7  6  6  o 393.7345 5.913271 13252.26       397.5880 13019.92       562.3778 13484.42       562.1708 390.0296 8.443620 396.9427 8.293514 -6.913116      11.83542 
1 1 1 -7  6  7  f 372.9919 5.245466 11889.35       334.1069 12059.71       472.6677 11719.24       472.3295 375.4916 7.371463 370.1442 7.472609 5.347443       10.49659 
1 1 1 -7  6  8  o 262.1408 4.296316 5870.740       192.3237 5491.401       236.6761 6608.165       329.9894 253.4847 5.467649 277.9874 6.951411 -24.50266      8.844055 
1 1 1 -7  6  9  o 451.5705 7.070282 17438.31       545.2105 17208.73       677.2277 17861.18       919.1159 448.3896 8.844579 456.3759 11.79358 -7.986237      14.74161 
1 1 1 -7  6  10 f 156.8530 4.295932 2101.922       115.0673 2029.965       144.1914 2228.101       190.9407 154.1159 5.478856 161.4152 6.927110 -7.299316      8.831915 
1 1 1 -7  6  11 o 284.7261 5.748378 6929.685       279.4954 7126.595       342.9026 6539.914       482.4384 288.6681 6.956169 276.2680 10.22608 12.40005       12.36774 
1 1 1 -7  6  12 o 107.7643 6.174649 996.1709       113.1556 905.1346       167.3971 1072.769       153.5503 102.3341 9.694745 111.6661 8.107730 -9.332039      12.63817 
1 1 1 -7  6  13 o 553.6723 8.246364 26243.59       779.6814 25762.96       1066.580 26795.18       1142.614 547.9219 11.39916 558.6447 11.97739 -10.72284      16.53477 
1 1 1 -7  6  14 o 424.8165 6.813557 15439.74       494.2847 15557.88       504.8429 12703.47       2429.563 426.4237 6.932868 372.2615 38.78856 54.16220       39.40326 
1 1 1 -7  6  15 o 349.0046 5.838667 10417.77       347.9740 9853.572       470.3297 11100.08       517.2255 339.1528 8.120915 359.9224 8.415292 -20.76956      11.69472 
1 1 1 -7  6  16 o 94.48785 5.448899 766.2108       87.54684 703.3188       124.7599 827.2229       122.8813 90.20782 8.188162 97.98949 7.398055 -7.781677      11.03527 
1 1 1 -7  6  17 f 154.7942 3.712103 2047.969       98.12433 2051.115       119.2298 2041.366       172.7348 154.8757 4.508164 154.3785 6.552261 0.4971771      7.953344 
1 1 1 -7  6  18 f 123.7096 4.181924 1308.780       88.34487 1346.257       106.6209 1226.689       157.7988 125.4269 4.977941 119.2839 7.789522 6.142975       9.244271 
1 1 1 -7  6  19 o 146.5344 4.269246 1837.064       106.8299 1722.401       129.2283 2084.561       189.8591 141.8075 5.336500 155.8130 7.135523 -14.00546      8.910327 
1 1 1 -7  6  20 o 165.4567 4.023994 2342.322       113.6956 2278.340       139.0493 2471.390       197.4924 163.0896 4.992758 169.6238 6.818074 -6.534149      8.450666 
1 1 1 -7  6  21 o 161.3533 3.807736 2227.697       104.9172 2200.648       127.0386 2285.726       186.0687 160.2876 4.641238 163.0796 6.681467 -2.792023      8.135299 
1 1 1 -7  6  22 o 241.5651 4.825960 5001.885       199.0764 4879.864       248.6420 5219.800       332.2781 238.3211 6.109562 245.9649 7.910913 -7.643814      9.995463 
1 1 1 -7  6  23 o 180.9147 4.016503 2803.062       124.0863 2601.633       152.8748 3192.046       212.4421 174.1255 5.141286 192.5993 6.459280 -18.47380      8.255611 
1 1 1 -7  6  24 o 89.50866 15.28273 733.8160       225.2113 451.4264       431.6335 839.4515       263.9951 71.82388 26.56481 95.23682 16.84912 -23.41294      31.45762 
1 1 1 -7  6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  6  26 o 46.83165 6.100540 192.0018       47.62935 176.7730       56.93905 227.4895       86.91942 44.56647 7.763859 50.08371 10.49858 -5.517231      13.05748 
1 1 1 -7  6  27 o 122.4653 3.811171 1285.808       79.70278 1236.629       106.3981 1348.693       120.3139 119.8902 5.196947 125.1223 5.630916 -5.232079      7.662602 
1 1 1 -7  6  28 o 132.9548 4.344462 1519.834       98.63747 1507.381       126.1588 1539.418       158.2086 132.1090 5.592207 132.9042 6.995537 -0.7952118     8.956021 
1 1 1 -7  6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  6  30 o 98.21990 5.091700 837.8915       85.10818 771.3533       115.6846 916.3934       125.6550 93.38839 7.312455 101.8536 7.272201 -8.465195      10.31295 
1 1 1 -7  6  31 o 90.35895 5.426528 713.5492       83.34470 878.1091       115.3899 534.0577       120.5112 99.62720 6.823572 76.32280 9.448266 23.30441       11.65465 
1 1 1 -7  6  32 o 71.95757 6.267634 459.8010       76.24710 542.6331       102.9466 359.1497       113.4808 77.37374 7.902329 60.94632 11.32041 16.42742       13.80574 
1 1 1 -7  6  33 o 93.38114 7.282144 789.3991       115.2056 576.0827       214.2399 876.1757       136.6437 70.16673 17.84027 97.61514 8.275199 -27.44841      19.66607 
1 1 1 -7  6  34 o 49.05252 10.35187 237.7097       83.98787 207.6675       102.0389 300.8181       147.8917 44.36231 12.77571 51.24386 15.54482 -6.881550      20.12114 
1 1 1 -7  6  35 o 56.86370 8.569818 308.9134       80.63255 299.1395       102.4993 324.7820       130.6041 53.74152 11.51535 53.67129 14.07595 0.7023239E-01  18.18614 
1 1 1 -7  7  1  o 438.0214 6.990284 16405.84       522.8681 17379.41       891.6644 15895.63       645.4963 450.2541 11.59690 430.9755 8.770802 19.27866       14.54012 
1 1 1 -7  7  2  o 429.4116 6.702600 15765.44       491.4948 16618.54       850.2753 15337.36       602.3168 440.3281 11.30788 423.3857 8.330804 16.94244       14.04530 
1 1 1 -7  7  3  o 526.7222 7.147626 23725.08       642.9029 24506.13       920.3608 22980.79       898.4395 534.9139 10.07563 517.9862 10.15708 16.92767       14.30680 
1 1 1 -7  7  4  o 132.3794 3.297187 1496.775       74.53594 1442.245       110.1714 1542.801       101.2165 129.9183 4.965887 134.3817 4.410716 -4.463455      6.641871 
1 1 1 -7  7  5  o 239.7440 4.124123 4910.139       168.8423 4931.613       239.4718 4888.912       238.0924 240.2049 5.838088 239.1631 5.829744 1.041809       8.250405 
1 1 1 -7  7  6  o 402.3964 6.379034 13842.96       438.3398 12554.02       619.1244 15138.42       620.6907 382.9141 9.468358 420.5822 8.642162 -37.66812      12.81939 
1 1 1 -7  7  7  o 382.2003 5.415616 12484.09       353.4605 11940.20       500.8678 13023.65       498.8753 373.5915 7.850987 390.2076 7.486767 -16.61618      10.84849 
1 1 1 -7  7  8  o 396.7967 5.294631 13455.65       358.7614 13512.97       507.7015 13398.48       507.0296 397.4604 7.480191 395.7709 7.502181 1.689484       10.59415 
1 1 1 -7  7  9  o 340.0414 5.796075 9883.910       336.5641 9885.485       417.7428 9880.997       568.1744 339.9641 7.195714 339.6337 9.796455 0.3304443      12.15520 
1 1 1 -7  7  10 o 474.2458 7.835700 19245.10       634.5753 19475.25       788.3584 18821.55       1069.449 476.8013 9.682429 468.0285 13.38092 8.772858       16.51661 
1 1 1 -7  7  11 o 278.4138 4.992270 6624.599       237.3508 5383.796       319.2755 8157.469       354.8682 250.8454 7.453456 308.8326 6.728868 -57.98723      10.04150 
1 1 1 -7  7  12 o 461.0516 7.087329 18186.73       557.9998 17952.97       683.6307 18653.34       965.8532 457.8361 8.743989 466.0142 12.13696 -8.178070      14.95872 
1 1 1 -7  7  13 o 406.9948 7.031133 14174.71       488.6705 14226.88       499.4488 13005.17       2364.980 407.7245 7.173354 377.2312 37.19702 30.49332       37.88239 
1 1 1 -7  7  14 f 342.2850 7.100429 10029.90       415.0252 7798.953       875.4185 10676.70       471.3637 299.4391 17.19213 353.0500 7.818401 -53.61093      18.88642 
1 1 1 -7  7  15 o 289.6676 4.063655 7171.708       201.0105 7173.609       244.9440 7167.787       351.7565 289.6331 4.952412 289.2779 7.120739 0.3552246      8.673598 
1 1 1 -7  7  16 o 308.2443 5.418993 8130.484       285.2433 7917.993       346.6281 8576.224       502.0358 304.0168 6.676736 315.9059 9.306257 -11.88907      11.45361 
1 1 1 -7  7  17 o 124.7288 4.145720 1330.401       88.30157 1349.907       107.6889 1290.373       154.2634 125.5941 5.021111 122.4073 7.414929 3.186852       8.955040 
1 1 1 -7  7  18 o 259.2110 4.288152 5748.453       189.8128 5558.933       229.9099 6154.179       336.3918 254.7697 5.284549 267.6808 7.359128 -12.91107      9.059978 
1 1 1 -7  7  19 o 284.0304 4.414651 6905.172       214.1229 6635.938       262.0401 7446.187       371.4561 278.2458 5.514894 294.2934 7.391372 -16.04761      9.222062 
1 1 1 -7  7  20 o 96.98115 3.818546 804.7403       63.23932 768.8406       74.50678 897.2442       119.5998 94.74828 4.604925 101.9316 6.911848 -7.183281      8.305358 
1 1 1 -7  7  21 o 150.6679 3.741609 1942.713       96.26782 1773.583       114.2251 2357.383       178.8560 143.8706 4.649300 165.6193 6.323984 -21.74866      7.849124 
1 1 1 -7  7  22 o 79.64654 4.170290 544.8231       56.52262 479.0030       65.52537 736.2032       111.7323 74.54108 5.179851 92.15804 7.155871 -17.61696      8.833876 
1 1 1 -7  7  23 o 105.0068 15.18716 1002.110       264.4198 1027.427       306.7092 928.8206       521.8405 105.2730 17.68846 95.05417 29.27058 10.21879       34.20012 
1 1 1 -7  7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  7  25 o 109.4698 4.102948 1027.128       76.69945 991.0231       93.03990 1103.707       135.4996 107.4201 5.072029 112.8401 7.067555 -5.419975      8.699184 
1 1 1 -7  7  26 o 52.29017 5.772732 238.2495       50.68758 232.7060       58.12244 255.8546       103.5797 51.47481 6.776965 52.82870 11.78159 -1.353893      13.59166 
1 1 1 -7  7  27 o 117.9905 4.275927 1195.859       86.15477 1091.766       99.07387 1518.741       174.4891 112.5857 5.153165 131.8402 7.784832 -19.25451      9.335883 
1 1 1 -7  7  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  7  29 f 90.71873 4.922136 713.4487       75.96682 680.9340       94.67788 772.2161       127.2849 88.18716 6.329061 93.23808 8.074019 -5.050926      10.25899 
1 1 1 -7  7  30 o 26.43060 10.37064 42.51052       68.29149 -13.18064      92.89816 107.9937       100.7346 25.15365 11.08996 35.66030 12.88898 -10.50664      17.00332 
1 1 1 -7  7  31 o 23.13102 9.780062 11.79822       66.52698 -33.16634      87.73975 72.61117       102.0374 23.04640 10.42197 32.22379 12.66608 -9.177389      16.40265 
1 1 1 -7  7  32 o 56.74275 8.040241 296.2210       75.72810 312.9410       104.7764 277.9342       109.5761 56.54070 11.24756 52.49431 12.41796 4.046383       16.75451 
1 1 1 -7  7  33 o 30.82379 10.66489 87.87753       68.36416 161.2495       82.87012 -68.43391      120.9562 39.93713 11.51682 24.92519 11.61716 15.01194       16.35835 
1 1 1 -7  7  34 o 68.97833 7.396141 438.8270       85.76128 262.2257       111.5191 694.4403       134.1665 49.31463 13.04235 85.11897 9.386389 -35.80433      16.06883 
1 1 1 -7  8  1  o 215.8833 4.208204 3981.642       155.1379 3790.596       265.8755 4080.266       191.0296 210.5129 7.396012 218.5102 5.119493 -7.997314      8.995009 
1 1 1 -7  8  2  o 204.7899 4.414173 3583.152       154.3689 3888.877       253.3610 3402.652       194.6763 213.2472 6.957521 199.5224 5.713729 13.72485       9.002989 
1 1 1 -7  8  3  o 229.4536 3.869568 4497.532       151.6210 4568.584       216.3889 4429.003       212.5126 231.2021 5.480767 227.6433 5.466733 3.558716       7.741057 
1 1 1 -7  8  4  o 23.74698 5.868975 50.12094       23.66310 62.20079       30.81743 32.76713       36.93711 26.47022 6.785903 21.57110 7.803526 4.899117       10.34135 
1 1 1 -7  8  5  o 214.0661 3.517542 3914.238       128.5846 3663.221       180.5595 4172.540       183.1607 207.0410 5.106956 220.9751 4.853858 -13.93408      7.045632 
1 1 1 -7  8  6  o 244.8149 4.054520 5120.250       169.5037 5240.652       243.9886 5007.932       235.6574 247.6055 5.770420 242.0486 5.701335 5.556854       8.111903 
1 1 1 -7  8  7  o 258.9734 4.105029 5729.785       181.5404 5674.575       261.1544 5781.411       252.5363 257.6399 5.935842 260.0671 5.686388 -2.427185      8.220051 
1 1 1 -7  8  8  o 342.5978 4.871776 10030.34       285.0190 10485.55       406.9989 9592.257       399.2678 350.1421 6.806863 334.8806 6.981880 15.26147       9.750899 
1 1 1 -7  8  9  o 257.7804 3.662010 5676.677       161.2023 5787.303       225.2818 5560.600       230.7663 260.2190 5.069734 255.0598 5.298201 5.159180       7.333016 
1 1 1 -7  8  10 o 393.0184 6.367856 13210.31       427.3740 13501.52       531.2912 12676.41       719.3883 397.1589 7.833690 384.3742 10.95992 12.78467       13.47169 
1 1 1 -7  8  11 o 31.88692 7.203785 90.48254       38.30097 88.14935       41.82267 102.6124       95.35979 31.47165 7.817187 36.40090 12.59570 -4.929243      14.82431 
1 1 1 -7  8  12 o 247.0136 4.392510 5214.729       185.2830 4535.354       247.5841 6079.559       279.3401 230.2450 6.296957 266.5890 6.136052 -36.34404      8.792201 
1 1 1 -7  8  13 o 250.7168 5.083724 5375.159       217.6544 5245.012       305.6718 5509.012       309.9933 247.4728 7.233125 253.6324 7.157241 -6.159683      10.17567 
1 1 1 -7  8  14 o 124.0237 3.598120 1314.504       76.20477 1322.260       87.49004 1290.124       155.1198 124.3721 4.119399 122.4675 7.452728 1.904610       8.515433 
1 1 1 -7  8  15 o 102.1524 3.638282 891.9196       63.46684 914.0770       70.93665 803.0216       142.0880 103.4016 4.017369 96.29888 8.735471 7.102669       9.614973 
1 1 1 -7  8  16 o 149.8892 3.149334 1920.088       80.61037 1892.154       91.99563 2012.454       167.2856 148.7723 3.621122 153.2273 6.393233 -4.454971      7.347514 
1 1 1 -7  8  17 o 146.9764 3.461973 1846.929       86.89068 1748.519       99.47493 2163.732       178.4803 142.9702 4.074423 158.8050 6.581489 -15.83478      7.740602 
1 1 1 -7  8  18 o 120.8265 3.474374 1248.437       71.68704 1123.220       82.92703 1618.719       142.6032 114.5638 4.238837 137.3646 6.079286 -22.80078      7.411171 
1 1 1 -7  8  19 o 203.7254 4.115953 3552.388       143.1916 3412.746       172.5033 3861.805       256.7799 199.5567 5.062080 211.9047 7.096082 -12.34796      8.716596 
1 1 1 -7  8  20 o 119.8165 3.840932 1228.705       78.58780 1136.907       91.14690 1494.665       155.1431 115.1909 4.633636 131.6161 6.927123 -16.42519      8.334003 
1 1 1 -7  8  21 o 18.88049 7.039831 23.29080       30.43401 22.73366       32.55058 27.16171       85.79936 19.16979 7.252664 27.92215 11.39188 -8.752361      13.50467 
1 1 1 -7  8  22 o 137.4243 3.811069 1617.131       89.43598 1502.940       107.6672 1871.315       160.6354 132.3770 4.762871 147.4504 6.379600 -15.07343      7.961421 
1 1 1 -7  8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  8  24 o 66.88438 4.574205 385.5017       51.93117 395.2234       61.39957 361.0689       97.33774 67.61222 5.361856 63.81687 9.197496 3.795353       10.64629 
1 1 1 -7  8  25 o 248.5046 4.608721 5300.292       195.5766 5159.262       240.1814 5577.827       336.9321 244.8247 5.744896 253.7148 7.776687 -8.890106      9.668541 
1 1 1 -7  8  26 o 136.7584 4.404584 1606.380       102.8634 1612.268       124.2557 1593.558       183.3671 136.8242 5.318036 135.0821 7.984647 1.742172       9.593544 
1 1 1 -7  8  27 o 72.75643 5.507043 459.9657       67.91446 511.8531       80.70846 334.1036       125.7000 76.59388 6.224380 59.66219 12.72589 16.93169       14.16656 
1 1 1 -7  8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  8  29 o 112.9265 4.669104 1102.781       90.03917 1132.995       106.1519 1025.298       169.9944 114.2042 5.443072 106.4740 9.447659 7.730209       10.90345 
1 1 1 -7  8  30 o 74.49860 5.329117 485.5880       67.34852 494.9171       77.13139 455.6501       138.1728 74.94543 6.079147 68.82496 12.20322 6.120476       13.63358 
1 1 1 -7  8  31 o 29.57573 9.659626 79.58313       56.11797 76.67345       60.86580 96.08105       144.9323 29.41395 10.06867 36.52443 14.84283 -7.110479      17.93566 
1 1 1 -7  8  32 o 54.35106 7.225948 269.8107       65.40413 282.6166       72.33912 212.4645       153.0806 55.31770 7.880653 44.32785 15.90531 10.98986       17.75060 
1 1 1 -7  8  33 o 96.33614 5.519249 823.5459       90.41878 741.1470       105.8477 1046.009       173.9200 90.41280 6.907940 104.4846 9.864270 -14.07178      12.04257 
1 1 1 -7  8  34 o 45.99303 10.00695 211.5479       76.36056 168.0689       87.76479 346.9969       154.9061 39.83002 11.95095 53.60795 15.82908 -13.77792      19.83393 
1 1 1 -7  9  1  o 363.8152 5.428905 11314.10       337.2834 12050.78       567.9500 10912.76       419.2108 375.1228 8.866143 357.1837 6.872884 17.93912       11.21807 
1 1 1 -7  9  2  o 357.8235 5.202140 10943.40       317.8724 11376.17       452.0315 10520.04       447.0882 364.6543 7.259144 350.6446 7.466621 14.00970       10.41372 
1 1 1 -7  9  3  o 393.1194 5.353617 13209.60       359.3964 13632.73       510.0900 12792.48       506.4559 399.1606 7.483370 386.6432 7.670599 12.51740       10.71629 
1 1 1 -7  9  4  o 279.1141 4.232919 6656.277       201.7547 6883.429       289.0265 6440.402       281.7608 283.7415 5.965034 274.4557 6.011825 9.285736       8.468983 
1 1 1 -7  9  5  o 692.2861 9.095571 41051.71       1075.270 42858.05       1521.637 39250.00       1519.687 706.3125 12.61572 675.7426 13.16955 30.56989       18.23715 
1 1 1 -7  9  6  o 374.8502 4.398479 12006.64       281.5543 12501.18       402.4084 11532.37       394.0781 382.3505 6.163159 367.2252 6.284170 15.12531       8.802007 
1 1 1 -7  9  7  o 644.0560 7.862609 35508.08       864.7534 34957.70       1223.907 36056.73       1221.987 638.2000 11.23026 648.2111 11.03947 -10.01117      15.74765 
1 1 1 -7  9  8  o 303.9579 4.171394 7894.571       216.5193 8154.897       309.5373 7645.162       302.9771 308.8139 5.869677 299.0018 5.933815 9.812103       8.346453 
1 1 1 -7  9  9  o 86.97906 3.874479 646.4111       57.54796 706.3679       84.42242 594.3683       78.65366 90.72676 5.474692 83.18707 5.568992 7.539688       7.809349 
1 1 1 -7  9  10 o 343.0329 5.495746 10063.04       321.9321 10480.51       402.1675 9318.328       537.1420 349.9381 6.729981 329.5722 9.544136 20.36588       11.67832 
1 1 1 -7  9  11 o 127.8043 6.373994 1397.991       139.1102 1832.810       326.0319 1301.212       153.8141 145.1654 13.29996 123.0346 7.354629 22.13078       15.19801 
1 1 1 -7  9  12 o 124.1858 3.495264 1317.862       74.12315 1308.418       90.85407 1336.661       128.1818 123.7141 4.300541 124.9690 6.006511 -1.254845      7.387343 
1 1 1 -7  9  13 o 254.4137 4.511976 5535.105       196.0240 5413.393       239.6256 5781.321       340.8181 251.4980 5.579519 259.6285 7.687204 -8.130493      9.498639 
1 1 1 -7  9  14 o 79.35396 4.927098 540.8829       66.43704 579.1957       76.09385 418.0197       136.2663 82.07345 5.460477 68.55368 12.08151 13.51977       13.25819 
1 1 1 -7  9  15 o 146.0312 3.245847 1822.785       80.94232 1770.384       92.20187 1998.888       169.0250 143.8905 3.752369 152.6750 6.483073 -8.784485      7.490695 
1 1 1 -7  9  16 o 257.0806 4.293031 5655.350       188.4669 5560.913       217.2719 5942.360       378.7756 254.8270 4.992937 262.7023 8.443377 -7.875229      9.809182 
1 1 1 -7  9  17 o 80.55103 3.874629 555.1064       53.29704 508.1721       61.49748 696.7309       106.8271 76.89145 4.706225 89.77110 7.024570 -12.87965      8.455361 
1 1 1 -7  9  18 o 26.29886 7.087398 61.49531       32.54881 62.15000       34.27612 55.48645       103.8417 26.47935 7.330455 32.52241 12.77945 -6.043056      14.73262 
1 1 1 -7  9  19 f 155.0021 3.383455 2055.258       89.55707 1880.302       107.1984 2459.525       162.9517 148.1788 4.236434 169.2795 5.637057 -21.10077      7.051509 
1 1 1 -7  9  20 o 115.5490 5.267591 1145.736       103.9394 1031.437       147.4429 1258.650       146.5461 109.0007 7.976632 120.6502 7.144688 -11.64956      10.70856 
1 1 1 -7  9  21 o 88.15903 4.212307 665.9293       63.41453 560.7474       72.31690 1015.981       131.9275 80.64751 5.280210 108.3022 7.174019 -27.65472      8.907702 
1 1 1 -7  9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  9  23 o 55.55687 4.690421 266.6723       44.08312 234.3192       50.35322 372.8532       91.22054 51.88215 5.781725 65.06531 8.406558 -13.18316      10.20287 
1 1 1 -7  9  24 f 49.88304 5.036557 215.8948       42.31559 221.4119       48.13013 197.1101       88.81081 50.41378 5.690263 46.43905 11.30522 3.974728       12.65650 
1 1 1 -7  9  25 o 315.1468 5.363453 8552.157       288.6419 8124.104       353.6595 9406.137       499.5281 306.3998 6.759193 328.0765 8.916264 -21.67670      11.18867 
1 1 1 -7  9  26 o 153.2505 4.425282 2020.245       115.8096 1946.915       141.2934 2170.352       202.1534 150.1375 5.511006 157.7499 7.504297 -7.612427      9.310513 
1 1 1 -7  9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  9  28 o 20.89150 8.116116 25.59310       41.50478 1.694015       45.57058 141.8813       100.5222 18.82200 8.031264 39.27537 12.93316 -20.45336      15.22392 
1 1 1 -7  9  29 o 32.25789 8.589491 96.49850       48.15789 120.6199       54.72271 13.66980       101.4045 35.95525 8.948213 27.89412 11.94328 8.061138       14.92355 
1 1 1 -7  9  30 o 28.44053 8.594072 74.25819       45.26742 81.21004       50.79921 47.45211       99.75246 29.69799 9.130445 29.86815 12.24567 -0.1701641     15.27486 
1 1 1 -7  9  31 o 68.53692 5.325676 414.6476       61.84112 396.5047       72.95615 460.9568       116.5584 66.48021 6.509933 69.52044 10.11472 -3.040230      12.02859 
1 1 1 -7  9  32 o 63.55388 6.026932 361.7745       64.62733 406.9150       73.78449 213.0219       133.9412 67.17596 6.513908 44.13809 14.93711 23.03786       16.29566 
1 1 1 -7  9  33 o 31.37632 9.501555 96.46309       55.28869 179.6525       61.62580 -246.7636      125.1754 43.14914 8.664472 19.57939 9.723590 23.56975       13.02387 
1 1 1 -7  10 1  o 125.6208 3.323200 1348.143       71.28857 1201.921       102.9138 1483.028       98.84386 118.5688 5.082779 131.7280 4.394097 -13.15922      6.718834 
1 1 1 -7  10 2  f 98.40846 3.152811 827.2733       52.98248 902.7276       81.04935 770.9683       70.01334 102.7696 4.618308 94.98029 4.316636 7.789345       6.321559 
1 1 1 -7  10 3  o 91.39594 3.506251 713.6526       54.72324 577.4126       79.38912 836.9866       75.53533 81.97198 5.707043 98.96034 4.469789 -16.98837      7.249094 
1 1 1 -7  10 4  o 83.11372 3.777980 590.2335       53.62093 626.4991       80.44399 561.2372       71.93102 85.41509 5.545148 80.85138 5.238040 4.563713       7.627957 
1 1 1 -7  10 5  f 104.9076 3.509345 940.2804       62.86874 882.6838       90.52177 993.9496       87.38103 101.4696 5.242046 107.8320 4.745342 -6.362411      7.070878 
1 1 1 -7  10 6  o 146.1036 3.570051 1823.845       89.07121 1870.075       127.1699 1779.325       124.7951 147.8942 5.035367 144.2599 5.065822 3.634277       7.142652 
1 1 1 -7  10 7  o 39.05922 5.086945 132.6488       33.12479 99.80227       47.17660 164.5893       46.52132 33.46762 8.296188 43.38038 6.478480 -9.912762      10.52604 
1 1 1 -7  10 8  o 300.3344 5.248230 7714.416       269.1658 7624.105       335.2259 7878.292       451.5738 298.4300 6.577989 303.0646 8.725525 -4.634583      10.92725 
1 1 1 -7  10 9  o 430.8035 10.26359 15955.49       755.0580 15234.70       2025.058 16071.88       813.7377 410.3518 29.08724 432.1440 11.02692 -21.79214      31.10724 
1 1 1 -7  10 10 o 346.7380 4.764850 10282.08       282.1322 10450.81       399.3018 10113.87       398.6892 349.2953 6.694322 343.6017 6.794809 5.693542       9.538521 
1 1 1 -7  10 11 f 271.0937 5.227935 6288.613       242.0201 6332.757       301.7682 6209.030       405.1802 271.8824 6.499656 268.8333 8.825986 3.049133       10.96100 
1 1 1 -7  10 12 o 91.23337 4.369220 711.9130       68.07059 707.5694       81.44339 721.9794       123.9833 90.76639 5.277249 91.34364 8.030025 -0.5772476     9.608885 
1 1 1 -7  10 13 o 103.1218 3.844392 909.3431       67.69865 913.2468       83.19622 901.6926       116.4701 103.3036 4.716136 102.3136 6.703268 0.9899673      8.196080 
1 1 1 -7  10 14 o 130.4800 4.008824 1456.344       89.32294 1487.384       105.6618 1378.609       167.2130 131.8179 4.693982 126.3918 7.785159 5.426132       9.090774 
1 1 1 -7  10 15 o 115.6710 3.934160 1144.656       77.71027 1116.670       93.14796 1208.732       140.9427 114.1950 4.776660 118.4093 7.001478 -4.214310      8.475681 
1 1 1 -7  10 16 o 150.4735 3.801376 1937.164       97.67939 2001.608       119.0872 1804.662       170.7598 152.8884 4.561300 144.9022 6.900948 7.986206       8.272155 
1 1 1 -7  10 17 o 95.93476 6.200643 793.7861       101.0380 611.0216       141.4769 984.0357       144.3449 83.34000 10.15068 106.5318 7.992770 -23.19181      12.91978 
1 1 1 -7  10 18 o 21.18037 9.273477 -13.91906      63.95007 -73.21257      99.95744 27.16744       83.20724 23.49447 10.81318 27.59203 11.23343 -4.097567      15.59214 
1 1 1 -7  10 19 f 96.73702 5.665404 806.4940       93.18088 775.9972       132.2858 836.5267       131.2753 94.38203 8.291791 98.10644 7.902818 -3.724411      11.45462 
1 1 1 -7  10 20 o 146.4621 17.68548 1968.486       433.3729 2202.777       572.6374 1654.409       663.0098 151.7581 22.80160 125.4219 31.10744 26.33617       38.56924 
1 1 1 -7  10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  10 22 o 116.6784 5.414895 1169.938       107.8903 1136.481       161.4058 1196.961       145.0596 114.2058 8.333691 117.4991 7.265175 -3.293312      11.05591 
1 1 1 -7  10 23 o 102.4277 6.111773 907.0281       106.4151 759.5959       148.7635 1061.524       152.2855 92.85326 9.516472 110.3323 8.140141 -17.47906      12.52298 
1 1 1 -7  10 24 o 214.1906 5.945781 3958.056       217.4759 3830.677       313.5833 4076.094       301.8660 209.4493 8.767427 216.3708 8.169842 -6.921509      11.98391 
1 1 1 -7  10 25 o 143.6691 6.020216 1786.408       147.6989 1743.414       229.5597 1816.778       192.9370 140.1624 9.649757 143.9988 7.875966 -3.836365      12.45587 
1 1 1 -7  10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  10 27 o 24.71694 8.040769 52.60545       38.89883 23.01937       41.89975 237.2360       104.6693 20.62352 8.113276 49.75916 12.37097 -29.13563      14.79413 
1 1 1 -7  10 28 o 31.90307 7.892560 93.85291       42.76201 77.88246       46.99051 170.8015       103.1459 29.23503 8.738609 42.09828 13.02158 -12.86324      15.68199 
1 1 1 -7  10 29 f 96.29752 4.378191 803.4916       71.99655 793.9224       85.03897 827.7098       135.2856 95.28545 5.246457 95.60040 8.371212 -0.3149567     9.879398 
1 1 1 -7  10 30 o 93.35441 4.493747 758.4677       71.63832 690.8032       85.07587 923.3687       132.8121 88.43928 5.663000 100.8775 7.769564 -12.43826      9.614347 
1 1 1 -7  10 31 o 89.24961 4.887524 699.9302       74.20676 635.7301       85.97326 887.5016       146.9532 84.44059 6.001329 97.45895 8.929156 -13.01836      10.75852 
1 1 1 -7  10 32 o 16.99109 7.730810 -22.49934      49.18861 -40.30725      53.93042 65.61778       119.9658 16.67253 7.766205 31.59038 13.23273 -14.91785      15.34337 
1 1 1 -7  11 1  o 228.7250 4.022166 4471.943       157.0998 4511.474       230.5762 4437.692       214.6258 229.5844 5.881258 227.7325 5.518929 1.851868       8.065220 
1 1 1 -7  11 2  o 216.3997 3.995627 4002.835       147.6534 3941.963       216.9510 4055.360       201.5280 214.6057 5.919956 217.7133 5.420612 -3.107666      8.026762 
1 1 1 -7  11 3  o 158.2350 3.402654 2139.568       91.94378 2324.199       137.8907 1991.767       123.3734 164.8502 4.898281 152.6145 4.733951 12.23566       6.812007 
1 1 1 -7  11 4  o 36.87683 6.142640 119.5310       37.32139 113.6456       57.25428 123.8796       49.21426 35.71848 9.296643 37.30302 7.967885 -1.584541      12.24397 
1 1 1 -7  11 5  o 325.1398 4.754385 9040.988       263.9772 8858.085       375.7514 9219.233       370.9355 321.5553 6.842945 328.0798 6.620899 -6.524536      9.521669 
1 1 1 -7  11 6  o 201.5012 3.448987 3469.858       118.6783 3602.464       170.8839 3346.308       164.9464 205.2248 4.876064 197.7934 4.883475 7.431412       6.901039 
1 1 1 -7  11 7  o 97.72321 3.844281 816.3406       64.15268 887.4835       94.06370 754.4709       87.71937 101.6893 5.436519 93.72937 5.504630 7.959930       7.736710 
1 1 1 -7  11 8  o 42.32483 7.078832 157.7132       49.35641 150.7464       60.28424 171.8782       85.95963 41.10457 8.850164 43.82056 11.38429 -2.715988      14.41969 
1 1 1 -7  11 9  o 170.1463 3.391119 2474.407       98.52979 2745.052       143.4046 2232.397       135.6066 179.1247 4.688193 161.5187 4.916500 17.60605       6.793462 
1 1 1 -7  11 10 o 210.2967 3.565350 3780.797       128.0373 3863.917       184.6313 3703.791       177.7110 212.4572 5.088993 208.0173 5.002799 4.439926       7.136234 
1 1 1 -7  11 11 o 208.5816 3.589047 3719.896       127.8372 3974.627       180.9489 3466.063       180.6296 215.4731 4.917688 201.1786 5.257815 14.29449       7.199186 
1 1 1 -7  11 12 o 75.57454 4.124661 490.0984       53.02990 465.0751       63.65617 546.8509       95.86528 73.51456 5.102259 79.47460 7.139864 -5.960045      8.775575 
1 1 1 -7  11 13 o 245.1197 4.495553 5143.402       188.1756 5032.107       234.8738 5342.886       314.4506 242.2674 5.677245 249.2818 7.386862 -7.014404      9.316483 
1 1 1 -7  11 14 o 242.6623 4.672991 5042.974       193.6418 5091.070       235.6759 4943.034       339.7225 243.6446 5.664433 239.4678 8.307591 4.176743       10.05494 
1 1 1 -7  11 15 o 75.21971 4.472810 486.2798       57.19425 483.1560       64.55106 497.6889       123.3630 74.90607 5.076402 75.17912 9.845814 -0.2730408     11.07745 
1 1 1 -7  11 16 o 232.9302 5.767532 4658.067       229.4128 4659.570       334.3361 4656.729       315.3714 232.2471 8.430068 232.3258 7.949190 -0.7876587E-01 11.58687 
1 1 1 -7  11 17 o 270.6031 5.925122 6291.457       273.7991 6112.839       394.0262 6458.229       380.7365 265.7866 8.681409 273.4058 8.154829 -7.619232      11.91084 
1 1 1 -7  11 18 o 77.24942 6.498176 517.2070       84.92500 784.9608       135.8614 345.4926       108.8006 94.86600 8.475802 62.11958 10.63922 32.74643       13.60266 
1 1 1 -7  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  11 21 o 130.8745 5.335638 1471.956       119.2459 1467.914       176.9079 1475.321       161.4311 129.9340 8.012095 130.4676 7.274687 -0.5336609     10.82196 
1 1 1 -7  11 22 o 99.06146 7.103203 852.6097       119.3626 830.7573       196.7433 865.3381       150.1535 96.16700 12.25926 99.30470 8.950686 -3.137703      15.17907 
1 1 1 -7  11 23 o 213.9609 6.036171 3952.157       220.5453 3695.345       312.8488 4205.872       310.9563 205.5656 8.912142 219.6561 8.289992 -14.09050      12.17170 
1 1 1 -7  11 24 o 57.02145 10.82041 298.5221       101.5076 232.1764       144.0678 363.9286       143.0444 49.61981 15.39620 61.95681 13.86616 -12.33700      20.71988 
1 1 1 -7  11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  11 26 f 56.26896 9.650634 290.7560       89.39315 203.2141       139.0583 352.4124       116.7020 46.10114 15.21299 61.22475 11.58653 -15.12361      19.12283 
1 1 1 -7  11 27 o 123.3056 5.842608 1326.881       123.0245 1372.264       182.9391 1289.412       166.2252 123.5006 8.730580 120.0888 8.154050 3.411781       11.94619 
1 1 1 -7  11 28 o 75.78603 7.449122 515.2988       95.15859 450.5851       146.6814 562.3277       125.0430 67.51032 13.19640 78.01458 9.587822 -10.50426      16.31169 
1 1 1 -7  11 29 o 33.68420 11.58056 105.4320       80.54534 64.43272       128.2457 132.1389       103.5062 33.11189 13.75975 37.21062 13.10758 -4.098728      19.00367 
1 1 1 -7  11 30 o 32.65722 12.11015 95.22776       89.81765 6.520529       129.7371 176.8775       124.4693 29.38138 13.02196 41.15275 14.38178 -11.77136      19.40121 
1 1 1 -7  11 31 o 18.80430 8.982801 -87.53000      80.96840 -362.9978      153.2963 19.05333       95.35444 20.34162 10.20170 26.50561 11.46709 -6.163992      15.34825 
1 1 1 -7  12 1  o 203.6013 3.707779 3544.302       128.9129 3261.199       187.8495 3796.313       177.2340 195.1248 5.637618 210.6044 4.928081 -15.47955      7.487905 
1 1 1 -7  12 2  o 136.0753 3.709614 1583.147       86.20056 1548.685       128.3940 1611.429       116.3116 134.4700 5.591363 137.2117 4.963977 -2.741745      7.476925 
1 1 1 -7  12 3  o 121.1923 3.433476 1255.529       71.05769 1319.895       106.8113 1204.425       95.17399 124.1769 5.037025 118.6402 4.697693 5.536774       6.887666 
1 1 1 -7  12 4  o 182.1191 3.430677 2835.253       106.6933 2830.729       153.9481 2839.433       148.0018 181.8579 4.957242 182.1548 4.757999 -0.2969055     6.871158 
1 1 1 -7  12 5  o 193.3461 4.071136 3197.240       134.4166 3040.918       170.2185 3456.204       219.0869 188.4510 5.289401 200.7762 6.390021 -12.32526      8.295187 
1 1 1 -7  12 6  o 108.0461 5.648944 1002.807       103.8645 902.3167       230.3545 1028.450       116.3644 100.9389 13.71947 109.3488 6.257648 -8.409912      15.07919 
1 1 1 -7  12 7  o 274.4759 4.089005 6444.298       191.6566 6376.765       272.1983 6510.698       269.9030 272.7739 5.843603 275.6427 5.734021 -2.868805      8.186983 
1 1 1 -7  12 8  o 43.94498 5.124022 167.6125       37.73027 154.4408       51.66154 182.6694       55.23481 41.76807 7.519582 45.54610 7.352048 -3.778038      10.51650 
1 1 1 -7  12 9  o 157.9008 3.502937 2131.978       94.45359 2076.840       136.8188 2182.184       130.5562 155.7124 5.145419 159.6467 4.788899 -3.934250      7.029145 
1 1 1 -7  12 10 o 48.21295 4.717593 200.9234       38.34293 200.3485       51.46132 201.6409       57.48805 47.88801 6.457583 47.90751 7.254033 -0.1950455E-01 9.711919 
1 1 1 -7  12 11 o 177.8598 3.777509 2706.198       114.7322 2519.559       163.4490 2887.485       161.0883 171.4227 5.583571 183.5712 5.138753 -12.14851      7.588349 
1 1 1 -7  12 12 f 255.7302 4.123797 5597.668       180.0865 5696.821       252.2055 5494.525       257.2305 257.6896 5.731332 253.0256 5.953279 4.664063       8.263758 
1 1 1 -7  12 13 o 157.9588 3.973807 2135.642       107.1896 2067.009       134.1836 2256.669       178.1860 155.2813 5.060325 162.0494 6.439088 -6.768082      8.189550 
1 1 1 -7  12 14 o 100.0928 3.811075 857.4887       65.14069 879.9457       79.06055 810.0149       114.9504 101.3416 4.568465 96.75844 7.004336 4.583122       8.362512 
1 1 1 -7  12 15 o 161.6933 3.881518 2238.284       107.1755 2102.935       130.0494 2524.797       189.2140 156.6094 4.862826 171.3254 6.467399 -14.71599      8.091620 
1 1 1 -7  12 16 o 90.89732 6.047887 713.4274       93.34064 656.6148       144.2525 754.3472       122.4243 86.34460 9.966378 93.15032 7.767107 -6.805717      12.63553 
1 1 1 -7  12 17 o 126.5392 17.11949 1468.556       360.4313 1387.383       461.7471 1595.151       576.6404 119.5027 23.46436 125.5805 27.63875 -6.077835      36.25571 
1 1 1 -7  12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  12 19 o 92.31990 6.025010 736.4786       94.46419 708.6786       141.3606 758.9095       126.9787 89.79968 9.355687 93.29400 8.049107 -3.494316      12.34168 
1 1 1 -7  12 20 o 113.1557 6.240129 1106.486       120.1130 929.0287       177.3564 1256.837       163.2499 102.5806 10.26233 120.1746 8.000692 -17.59401      13.01255 
1 1 1 -7  12 21 o 43.71792 12.78378 174.0564       101.4726 -35.25093      144.6882 376.6486       142.3482 31.06218 13.76010 63.78821 13.48954 -32.72604      19.26935 
1 1 1 -7  12 22 o 188.9671 5.803491 3082.603       187.2740 3023.938       271.6020 3135.774       258.5694 185.9734 8.552246 189.6672 7.983307 -3.693848      11.69932 
1 1 1 -7  12 23 o 31.54983 12.15204 65.05942       92.42773 84.59288       167.5063 56.50866       110.8266 39.35623 15.97030 32.62604 13.07724 6.730190       20.64133 
1 1 1 -7  12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  12 25 o 52.51711 10.22686 256.4534       88.41742 295.6857       138.0020 229.1348       115.1577 54.69998 14.52859 48.56822 13.43293 6.131756       19.78695 
1 1 1 -7  12 26 o 91.21491 7.117342 738.0142       109.9853 626.3354       156.4361 847.1777       154.6644 81.55343 11.55628 96.39469 9.520224 -14.84126      14.97272 
1 1 1 -7  12 27 o 126.6563 5.824706 1405.427       125.9803 1463.909       186.9955 1356.822       170.4745 127.0749 8.669017 122.7098 8.182303 4.365135       11.92065 
1 1 1 -7  12 28 o 65.04862 8.324800 389.5537       90.35136 660.9803       141.5280 202.8351       117.3843 83.64649 10.11355 44.28970 13.92297 39.35680       17.20852 
1 1 1 -7  12 29 o 42.20261 11.91866 181.4778       89.67218 154.3645       161.2501 193.6167       107.8943 40.07014 15.86757 42.98167 13.32176 -2.911533      20.71832 
1 1 1 -7  12 30 o 85.01811 8.075006 671.0491       115.8275 661.7228       180.3784 677.5931       151.0943 78.69079 13.93321 82.78250 10.95758 -4.091713      17.72577 
1 1 1 -7  12 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  13 1  o 230.9378 5.606349 4571.863       221.0940 4715.311       309.1657 4421.713       316.3049 234.1128 7.733290 226.6070 8.173924 7.505768       11.25241 
1 1 1 -7  13 2  o 194.6976 3.800604 3242.549       126.3616 3162.976       182.6594 3315.582       174.9917 192.0929 5.568380 196.7204 5.209143 -4.627441      7.625092 
1 1 1 -7  13 3  o 293.8028 5.198502 7395.541       260.8171 7434.336       328.4299 7329.298       429.1564 294.2807 6.535501 291.6145 8.617964 2.666260       10.81583 
1 1 1 -7  13 4  o 127.8263 6.337033 1402.285       138.3273 1543.021       306.7256 1366.354       154.9827 132.1694 13.79315 125.8759 7.240575 6.293480       15.57809 
1 1 1 -7  13 5  o 241.6873 3.930565 4997.454       162.2224 4832.979       231.7939 5155.351       227.1119 237.4123 5.717379 245.2544 5.422770 -7.842133      7.880029 
1 1 1 -7  13 6  o 71.20530 3.951167 435.1342       47.85544 478.7259       66.68593 388.8490       68.71532 74.55699 5.271724 67.05092 6.067038 7.506073       8.037414 
1 1 1 -7  13 7  o 151.8166 3.480108 1971.204       90.22229 1965.182       129.9128 1976.813       125.3943 151.4484 5.023254 151.9154 4.833639 -0.4669342     6.971166 
1 1 1 -7  13 8  o 176.8438 3.800914 2675.784       114.7836 2453.382       162.2946 2898.371       162.3624 169.1277 5.619366 183.8906 5.170399 -14.76288      7.636118 
1 1 1 -7  13 9  o 72.17719 3.684492 446.8723       45.26166 470.7216       63.47161 422.1969       64.56160 73.93683 5.057456 69.95378 5.447525 3.983047       7.433262 
1 1 1 -7  13 10 o 147.2078 3.301041 1853.418       82.98194 1885.695       118.3806 1822.237       116.3540 148.3574 4.672717 145.8398 4.672007 2.517563       6.607718 
1 1 1 -7  13 11 o 78.86459 3.912840 532.3904       52.69581 567.1563       71.93224 492.1220       77.41579 81.15400 5.218195 75.45224 6.059466 5.701759       7.996668 
1 1 1 -7  13 12 o 43.04881 5.515707 161.6247       39.61502 228.2559       53.62861 81.59922       58.77222 51.15591 6.270293 30.94315 9.866051 20.21276       11.68998 
1 1 1 -7  13 13 o 103.1102 4.135925 910.6016       72.82430 780.6857       89.15937 1170.990       126.2255 95.20097 5.507864 116.5087 6.368464 -21.30773      8.419851 
1 1 1 -7  13 14 o 185.7897 3.988379 2956.236       126.5377 2889.103       158.5022 3074.214       210.1206 183.4982 5.058264 188.9824 6.510963 -5.484207      8.244918 
1 1 1 -7  13 15 o 71.36674 19.90768 484.3867       251.7900 473.9969       298.2898 510.1385       469.6112 70.73769 22.18761 75.39967 27.74046 -4.661980      35.52215 
1 1 1 -7  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  13 17 o 47.54277 10.82015 205.3505       85.87097 86.79610       147.7928 265.7697       105.5072 38.85890 15.25338 54.00957 11.77192 -15.15067      19.26768 
1 1 1 -7  13 18 o 66.90703 7.684366 392.2628       86.20415 465.9902       142.0902 349.3203       108.4409 71.82213 12.00924 62.37358 10.55769 9.448544       15.99020 
1 1 1 -7  13 19 o 166.7281 6.188741 2396.483       176.2029 2232.302       279.5047 2504.765       226.9891 159.2493 10.33386 169.9674 7.820551 -10.71811      12.95954 
1 1 1 -7  13 20 o 93.41973 7.456961 762.1131       117.9691 626.9443       168.0972 893.2924       165.5980 83.09486 12.21052 100.4236 9.780572 -17.32875      15.64469 
1 1 1 -7  13 21 o 231.2413 6.273185 4631.374       247.7168 4344.734       362.8174 4881.673       339.0390 221.8872 9.575335 236.0760 8.410001 -14.18874      12.74422 
1 1 1 -7  13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  13 23 o 51.77239 10.71757 249.7160       91.63283 187.3541       143.2717 292.8831       119.2003 45.02443 15.44702 55.33693 12.85911 -10.31250      20.09893 
1 1 1 -7  13 24 o 25.28153 11.02281 -5.180843      89.51408 96.07466       126.9903 -105.1761      126.1975 36.43385 14.18477 24.98448 11.71658 11.44938       18.39798 
1 1 1 -7  13 25 o 74.99986 8.076974 506.4642       101.8139 466.0967       172.0314 528.2260       126.3104 67.72438 15.24303 75.59438 10.03254 -7.869995      18.24834 
1 1 1 -7  13 26 o 91.53148 7.054588 747.6185       109.4165 765.5934       180.2056 737.1222       137.7056 89.04280 12.16996 89.60947 9.126418 -0.5666733     15.21182 
1 1 1 -7  13 27 o 72.39013 9.094776 488.5614       109.9459 481.2036       172.2962 493.6155       142.7989 66.90148 15.40027 70.44528 12.31915 -3.543800      19.72131 
1 1 1 -7  13 28 o 44.53563 11.19924 199.1334       85.08681 187.5103       134.8032 206.8308       109.7008 42.07647 14.94379 44.28636 13.37778 -2.209892      20.05697 
1 1 1 -7  13 29 o 89.18620 6.868518 722.3972       103.8025 668.3535       158.9807 762.5574       137.0470 81.31560 11.79312 89.71129 9.070442 -8.395691      14.87785 
1 1 1 -7  13 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  14 1  o 199.0070 3.922693 3389.738       133.3075 3403.697       198.6555 3378.302       179.8018 199.1216 5.842254 198.4710 5.305118 0.6505585      7.891527 
1 1 1 -7  14 2  o 185.5797 10.98962 3006.323       346.7180 2823.603       480.8840 3204.144       500.3623 177.6625 16.02291 189.5555 15.59612 -11.89305      22.36006 
1 1 1 -7  14 3  o 102.9446 4.901145 908.2803       86.15944 904.0792       115.1121 913.6320       129.9237 102.3379 6.622422 102.7299 7.456914 -0.3920898     9.973065 
1 1 1 -7  14 4  o 220.8419 4.181069 4175.803       157.6779 4136.924       228.0655 4211.404       218.2393 219.4717 6.085259 221.5040 5.769650 -2.032333      8.385656 
1 1 1 -7  14 5  o 207.3558 4.030616 3680.794       142.7215 3478.121       203.2752 3877.838       200.4323 201.2629 5.914509 212.5901 5.521062 -11.32722      8.090955 
1 1 1 -7  14 6  o 176.5177 3.827245 2666.827       115.3656 2368.868       166.7907 2940.131       159.7409 166.0930 5.880559 185.1768 5.051582 -19.08386      7.752384 
1 1 1 -7  14 7  o 291.8304 4.402170 7295.273       219.3812 7136.051       311.6847 7451.602       308.8386 288.1292 6.334703 294.4899 6.141285 -6.360657      8.822916 
1 1 1 -7  14 8  o 30.84456 7.135088 85.19443       36.83467 96.84903       45.33194 62.54609       63.19370 32.85126 8.125740 28.79233 10.23107 4.058929       13.06531 
1 1 1 -7  14 9  o 68.04572 4.236251 398.1260       48.98070 341.8378       70.50526 450.6329       68.09589 62.67685 6.690776 72.23871 5.562924 -9.561855      8.701300 
1 1 1 -7  14 10 o 226.2215 3.888607 4381.761       150.2207 4270.815       216.4474 4484.863       208.6552 222.9872 5.684217 228.5850 5.345389 -5.597885      7.802789 
1 1 1 -7  14 11 o 242.0717 4.121909 5019.601       170.3901 5059.354       243.9090 4981.710       238.1308 242.6200 5.887072 240.7766 5.791612 1.843384       8.258352 
1 1 1 -7  14 12 o 95.09730 18.62288 848.3121       291.6028 985.6741       355.2012 564.3688       510.6895 101.4947 21.17887 78.60942 28.92726 22.88525       35.85151 
1 1 1 -7  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  14 15 o 43.01338 6.920903 163.5114       49.11145 183.7054       53.68744 59.97036       121.5679 45.60739 7.126608 34.51501 13.74273 11.09238       15.48067 
1 1 1 -7  14 16 o 183.1227 5.923168 2886.346       185.2243 2797.624       285.8895 2950.529       243.1609 178.9760 9.386825 184.6341 7.712226 -5.658188      12.14870 
1 1 1 -7  14 17 o 100.8365 7.322129 884.3848       125.2231 829.7936       176.5176 939.6927       177.6724 96.58725 10.89224 103.0859 10.22799 -6.498604      14.94164 
1 1 1 -7  14 18 o 67.19726 9.741022 403.7312       108.5195 480.5849       206.7211 374.4951       127.5006 70.69335 17.27143 63.92228 12.12402 6.771069       21.10200 
1 1 1 -7  14 19 o 79.65725 8.122386 559.6069       108.9411 542.4612       185.4258 568.6450       134.6264 75.75780 14.86403 79.62057 10.13101 -3.862770      17.98824 
1 1 1 -7  14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  14 22 o 74.72570 7.752321 497.0742       97.48495 654.6016       150.3550 382.8257       128.0457 84.44331 10.66459 63.55915 12.24145 20.88416       16.23535 
1 1 1 -7  14 23 o 37.93039 12.25595 133.8955       90.46478 48.52224       162.2101 172.4367       108.9882 35.84393 15.21975 42.39647 13.42655 -6.552544      20.29564 
1 1 1 -7  14 24 o 27.26317 11.29893 30.24967       86.14426 -190.8506      157.2958 124.9749       102.9569 25.42839 12.24430 37.15042 13.07422 -11.72203      17.91251 
1 1 1 -7  14 25 o 31.84727 12.08806 80.79311       90.60703 -19.38292      129.2971 177.4548       127.0089 28.59745 12.81540 42.19336 14.54001 -13.59591      19.38160 
1 1 1 -7  14 26 o 62.41336 8.768629 363.4227       90.87882 452.9356       142.3840 301.8888       118.0526 66.73311 12.96165 54.19598 12.93537 12.53713       18.31197 
1 1 1 -7  14 27 o 42.52748 11.45720 183.1348       85.07500 185.7199       135.0138 181.4324       109.5626 41.84307 14.94536 41.58616 13.49295 0.2569122      20.13513 
1 1 1 -7  14 28 o 98.01795 6.551867 868.3297       109.0345 810.0428       165.5948 912.9404       144.8709 90.38473 10.95237 98.48708 8.703479 -8.102348      13.98946 
1 1 1 -7  15 1  o 142.4934 9.980825 1773.490       241.3307 1708.442       321.9954 1856.862       364.5362 138.4381 13.80456 143.8170 15.06693 -5.378906      20.43473 
1 1 1 -7  15 2  o 127.1351 10.99743 1420.500       236.4071 1460.081       316.8081 1370.767       355.1232 127.4649 14.83205 122.2876 17.50514 5.177330       22.94383 
1 1 1 -7  15 3  o 200.8867 11.62127 3542.324       396.9608 3392.150       543.2274 3714.403       581.4996 193.8729 16.56735 202.6713 16.95761 -8.798401      23.70733 
1 1 1 -7  15 4  o 188.3629 11.85946 3119.821       379.5239 2983.728       517.7837 3277.828       557.9160 181.5242 16.89776 190.0092 17.38738 -8.484970      24.24573 
1 1 1 -7  15 5  o 118.0955 11.32765 1229.771       225.6388 1085.136       292.6795 1441.688       354.2733 109.0717 16.20636 125.6579 16.94183 -16.58624      23.44508 
1 1 1 -7  15 6  o 223.6611 12.82922 4418.049       487.9476 4348.206       672.2786 4495.805       709.3358 218.2727 18.20234 221.3799 18.94592 -3.107193      26.27305 
1 1 1 -7  15 7  o 59.63058 15.74570 329.4658       162.7070 410.5864       188.8121 95.43665       320.7001 66.33261 16.68429 51.87856 21.67535 14.45405       27.35300 
1 1 1 -7  15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  15 11 o 100.6381 3.896585 867.4650       66.96513 940.7936       99.40691 806.5414       90.60928 104.4869 5.591528 96.73567 5.507881 7.751205       7.848690 
1 1 1 -7  15 12 o 280.8217 4.494344 6762.868       215.5256 6837.926       308.7244 6691.509       301.0201 281.7386 6.416862 278.7413 6.324005 2.997253       9.009393 
1 1 1 -7  15 13 o 73.19050 4.285421 460.8386       53.32757 487.9641       75.15192 433.3276       75.68404 75.07440 5.909788 70.64252 6.341422 4.431885       8.668288 
1 1 1 -7  15 14 o 157.3335 4.353631 2123.179       116.9701 2023.005       142.6206 2329.014       204.4392 153.3811 5.445133 164.1129 7.294907 -10.73178      9.103029 
1 1 1 -7  15 15 o 26.95195 9.790617 53.07618       58.23080 126.6141       77.78365 -40.68478      87.83015 37.59894 11.24396 23.25477 10.47985 14.34417       15.37055 
1 1 1 -7  15 16 o 187.5088 6.508892 3041.271       208.4158 3092.112       335.1010 3009.198       266.1563 186.8557 10.54497 185.7256 8.391955 1.130081       13.47670 
1 1 1 -7  15 17 o 36.14088 12.95286 104.5251       101.4960 267.4234       240.0150 69.05193       112.0031 54.65181 19.87340 33.85730 13.28232 20.79451       23.90339 
1 1 1 -7  15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  15 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  15 20 o 63.61636 11.44506 378.3528       119.7619 345.7821       218.5481 392.3310       143.1727 57.86672 19.07056 63.77943 13.56286 -5.912704      23.40166 
1 1 1 -7  15 21 f 159.6975 5.870120 2222.869       160.0836 2276.595       244.2974 2182.439       211.9234 159.2032 9.023075 156.7389 7.943674 2.464310       12.02156 
1 1 1 -7  15 22 o 139.9390 6.408795 1718.844       153.1500 1887.145       238.8154 1601.282       199.5964 143.7828 9.784623 133.2110 8.824235 10.57179       13.17596 
1 1 1 -7  15 23 o 48.23733 10.79913 223.9458       86.73973 156.3529       136.3058 269.9461       112.4459 40.86998 14.95898 52.06993 12.74841 -11.19995      19.65434 
1 1 1 -7  15 24 o 37.89020 12.45540 140.4785       93.24751 98.63680       132.9513 180.9884       130.8183 35.76323 14.32728 42.22492 14.74472 -6.461693      20.55913 
1 1 1 -7  15 25 o 40.99601 11.63064 169.5085       85.18991 114.6778       135.5417 205.3116       109.5271 36.54867 14.52412 44.26173 13.36647 -7.713066      19.73861 
1 1 1 -7  15 26 o 69.39072 8.933475 454.1787       103.3996 456.4903       148.2713 451.9903       144.2690 65.66569 13.66720 65.65270 13.32351 0.1298523E-01  19.08686 
1 1 1 -7  15 27 o 26.37373 10.99440 37.30160       82.24745 -105.2986      134.3165 122.8475       104.0325 24.51418 11.67131 35.13226 13.03221 -10.61807      17.49451 
1 1 1 -7  16 1  o 32.70262 9.271752 95.32100       54.15650 92.45008       93.85188 96.75416       66.31022 34.81805 12.45800 33.40624 10.45843 1.411804       16.26593 
1 1 1 -7  16 2  o 129.8237 4.080719 1443.884       90.46748 1103.826       143.9693 1665.776       116.2961 112.8199 7.515792 139.3417 4.887447 -26.52184      8.965170 
1 1 1 -7  16 3  o 153.8578 4.027983 2027.825       105.8301 1956.134       160.1852 2083.356       140.9802 150.7732 6.221515 155.7645 5.300145 -4.991318      8.173052 
1 1 1 -7  16 4  o 140.1748 4.823070 1685.624       115.4504 1400.314       266.5042 1751.536       128.0937 125.4840 12.60749 142.8267 5.251900 -17.34270      13.65765 
1 1 1 -7  16 5  o 139.8729 4.634359 1677.867       110.6943 1788.272       137.7911 1476.948       185.8819 144.2564 5.593507 130.3190 8.397410 13.93736       10.08979 
1 1 1 -7  16 6  o 113.9590 5.141738 1115.004       100.0600 1062.878       141.2881 1167.453       141.7252 110.6692 7.520759 116.0884 7.184490 -5.419205      10.40090 
1 1 1 -7  16 7  o 52.03055 6.589253 236.9165       57.23383 130.7714       84.48652 326.9416       77.80714 38.45727 11.76684 61.04158 7.631080 -22.58431      14.02469 
1 1 1 -7  16 8  o 166.3542 3.783344 2370.290       107.4760 2254.463       155.3707 2476.567       148.8284 161.9335 5.618630 169.8196 5.132111 -7.886093      7.609702 
1 1 1 -7  16 9  o 204.4025 4.029818 3580.368       140.6609 3559.478       203.0928 3599.628       195.0030 203.3967 5.847211 204.6100 5.581004 -1.213364      8.083160 
1 1 1 -7  16 10 o 88.08899 4.335700 665.4738       65.22029 507.1521       95.78166 802.3419       89.05600 76.22375 7.453910 96.45432 5.428867 -20.23057      9.221354 
1 1 1 -7  16 11 o 136.0369 3.658601 1585.485       84.99116 1697.850       125.5023 1490.302       115.5098 140.5262 5.229888 131.6733 5.137115 8.852936       7.330872 
1 1 1 -7  16 12 o 161.5278 3.658082 2236.034       100.9027 2319.125       146.6633 2161.359       139.0378 164.1842 5.231042 158.5227 5.136169 5.661453       7.331033 
1 1 1 -7  16 13 o 38.86488 8.091690 136.2471       51.95733 46.06290       76.06432 215.1326       71.14011 28.19242 10.97756 48.90719 8.843564 -20.71477      14.09665 
1 1 1 -7  16 14 o 211.3772 4.156474 3837.919       150.0324 3954.892       217.0451 3730.881       207.6240 213.9070 5.941870 207.7990 5.851027 6.107971       8.339085 
1 1 1 -7  16 15 o 70.58871 6.292291 435.3510       75.05303 359.6527       87.28905 650.0114       146.9916 63.56971 8.234449 84.92696 10.34954 -21.35725      13.22570 
1 1 1 -7  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  16 17 o 105.5778 7.602289 982.8080       136.1452 736.8153       274.4918 1063.068       156.7900 84.25639 19.46877 109.4211 8.456669 -25.16475      21.22612 
1 1 1 -7  16 18 o 174.7742 6.554246 2668.544       195.6150 2393.708       315.0732 2840.932       249.5328 161.4515 11.50314 179.2236 8.153246 -17.77213      14.09956 
1 1 1 -7  16 19 o 147.1218 6.157741 1890.462       154.7036 1804.588       250.1112 1943.675       196.8856 140.4562 10.50378 147.9843 7.818804 -7.528122      13.09439 
1 1 1 -7  16 20 o 144.7552 6.367802 1838.053       157.4076 1888.767       245.1913 1802.499       205.2993 143.6290 10.06031 141.6441 8.527391 1.984924       13.18811 
1 1 1 -7  16 21 o 87.38057 7.582321 684.9628       112.0191 785.7161       202.4233 640.4880       134.4893 89.11000 13.74450 83.26912 9.636093 5.840881       16.78587 
1 1 1 -7  16 22 o 148.0083 6.231925 1934.985       157.5108 2133.269       264.9656 1826.622       195.8780 150.7916 10.35259 141.9799 8.112647 8.811707       13.15261 
1 1 1 -7  16 23 o 67.91234 8.821969 430.1203       99.89311 576.5271       171.6291 355.1154       122.8444 74.45116 14.01373 59.15562 12.54943 15.29554       18.81151 
1 1 1 -7  16 24 o 81.44453 7.638996 607.0123       105.0016 911.9780       178.8543 446.6219       129.7069 96.68322 11.03039 66.78587 11.80483 29.89735       16.15622 
1 1 1 -7  16 25 o 38.98753 13.05375 159.7813       102.2835 249.1925       163.8007 102.6351       130.9524 45.90114 16.45460 34.79098 14.11964 11.11016       21.68221 
1 1 1 -7  16 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  17 1  o 147.9035 4.065071 1875.912       102.6712 1790.360       162.0981 1933.227       132.6786 143.9844 6.592656 149.9433 5.181695 -5.958893      8.385288 
1 1 1 -7  17 2  o 62.38173 5.640984 337.6911       59.44156 296.4485       98.41160 361.3799       74.58379 57.29000 10.44406 64.30383 6.899970 -7.013824      12.51751 
1 1 1 -7  17 3  o 68.41776 5.456326 405.2823       63.21854 488.9465       98.86665 347.4129       82.22509 74.67854 7.871239 62.82418 7.834626 11.85435       11.10575 
1 1 1 -7  17 4  o 110.9934 4.075300 1056.483       77.24292 1194.513       122.7414 965.9731       99.39246 117.5422 6.136268 105.7997 5.520459 11.74248       8.254045 
1 1 1 -7  17 5  o 174.7242 3.891595 2617.200       116.1135 2607.560       174.3433 2624.885       155.6591 173.9548 5.869040 174.6992 5.217730 -0.7444611     7.853046 
1 1 1 -7  17 6  o 156.0682 3.889206 2088.369       103.6519 2008.577       154.6566 2153.437       139.6597 152.6377 5.933417 158.2294 5.168708 -5.591782      7.868989 
1 1 1 -7  17 7  o 114.2113 3.835366 1118.455       74.80280 1070.329       110.6072 1159.021       101.5468 111.2704 5.841486 116.0729 5.123108 -4.802574      7.769761 
1 1 1 -7  17 8  o 140.1604 5.011634 1690.124       119.9518 1506.471       166.3762 1888.917       173.0982 131.5309 7.437804 147.6861 6.863584 -16.15523      10.12076 
1 1 1 -7  17 9  o 97.35061 4.220352 813.8530       70.15995 640.9760       102.9250 963.9061       95.89037 85.66760 7.099603 105.6344 5.333029 -19.96675      8.879502 
1 1 1 -7  17 10 o 112.5114 4.014686 1086.938       77.13471 1018.302       113.1187 1146.589       105.4541 108.3288 6.140141 115.3058 5.355626 -6.977081      8.147641 
1 1 1 -7  17 11 o 34.44817 8.504222 108.1205       49.72582 126.7924       75.60336 93.88486       66.01391 37.32300 11.06799 32.70540 10.45922 4.617599       15.22812 
1 1 1 -7  17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  17 14 o 127.8478 4.191478 1407.281       91.50867 1594.143       136.9024 1256.365       123.0316 135.5141 5.915953 120.2787 5.989990 15.23534       8.418936 
1 1 1 -7  17 15 o 63.60254 6.524442 356.4828       69.85970 264.4860       86.39487 530.2566       118.7391 53.60599 9.798938 76.63243 9.261487 -23.02644      13.48311 
1 1 1 -7  17 16 o 85.29102 5.003558 632.1596       72.55692 548.0806       87.45864 817.7890       129.9518 78.89698 6.550675 95.80871 8.016500 -16.91173      10.35257 
1 1 1 -7  17 17 o 97.83681 7.688576 852.5099       127.4200 913.7165       211.4922 817.6334       159.6474 97.77332 12.98838 94.44736 10.05305 3.325958       16.42443 
1 1 1 -7  17 18 o 45.29319 12.48754 200.6342       99.70229 37.61673       230.9229 237.9855       110.5358 39.71713 17.49914 49.10086 12.98421 -9.383724      21.79012 
1 1 1 -7  17 19 o 63.11302 9.753918 371.8833       101.7340 331.8532       195.5144 386.7456       119.1321 54.79448 18.03664 63.43555 11.41736 -8.641068      21.34658 
1 1 1 -7  17 20 o 96.20925 7.815568 837.9931       127.2943 876.4031       210.3710 815.8062       159.8866 93.39910 13.58831 93.09023 10.22639 0.3088684      17.00651 
1 1 1 -7  17 21 o 28.90988 11.75202 51.14244       90.89194 215.0425       184.9620 -1.036971      104.3620 44.91137 17.21730 26.62540 11.74578 18.28597       20.84224 
1 1 1 -7  17 22 o 42.76942 12.71611 189.6517       99.69942 153.0289       229.6915 198.1534       110.6683 41.96206 17.97103 43.36310 13.50048 -1.401039      22.47712 
1 1 1 -7  17 23 o 46.68328 13.17074 233.5457       109.5597 230.9032       189.9132 234.8639       134.1297 44.59761 17.35121 45.70313 14.93419 -1.105522      22.89311 
1 1 1 -7  17 24 o 67.02078 9.462237 435.0580       105.2819 217.7890       199.1071 519.3831       124.0413 42.90367 17.41103 72.54888 10.30165 -29.64521      20.23038 
1 1 1 -7  18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 10 o 48.62254 8.598112 214.5673       68.77920 272.3796       88.76740 127.7211       108.7976 54.47016 9.908179 38.42567 13.44497 16.04449       16.70148 
1 1 1 -7  18 11 o 26.67670 8.921650 60.38210       47.77714 79.97997       66.73471 39.77504       68.43140 30.73608 10.54257 26.32753 10.36494 4.408545       14.78438 
1 1 1 -7  18 12 o 36.66152 8.679544 124.0243       53.49708 188.5620       94.09077 93.19494       65.03131 44.46265 12.07863 32.28442 10.38705 12.17823       15.93060 
1 1 1 -7  18 13 f 18.39123 8.117061 -11.78864      49.89686 -15.17167      91.40484 -10.35258      59.55290 24.88419 10.98430 20.30916 8.919049 4.575037       14.14935 
1 1 1 -7  18 14 o 72.00881 4.971341 451.7220       60.75655 488.6566       90.91516 421.9160       81.67168 74.09320 7.279468 68.89347 7.041061 5.199730       10.12755 
1 1 1 -7  18 15 o 41.07030 7.676743 154.0999       51.86062 128.9874       68.76187 187.2298       78.97904 36.94570 10.43793 44.35311 10.57641 -7.407410      14.85971 
1 1 1 -7  18 16 o 44.33413 7.679203 179.5840       56.03158 145.0570       65.49341 273.8564       108.2207 39.09335 9.822702 52.84429 12.23398 -13.75094      15.68935 
1 1 1 -7  18 17 o 36.52920 12.65127 124.8698       96.21327 -35.98592      233.9153 157.6252       105.5557 36.33529 16.65580 40.08974 13.25551 -3.754459      21.28672 
1 1 1 -7  18 18 o 59.06254 10.81593 337.7856       105.0681 311.6110       238.5189 344.0874       117.0348 51.41919 19.58974 58.81214 12.05808 -7.392952      23.00338 
1 1 1 -7  18 19 o 89.63969 7.552118 730.5524       114.5266 765.8320       209.7089 715.5583       136.7147 84.84661 15.02357 87.36716 9.306852 -2.520546      17.67272 
1 1 1 -7  18 20 o 47.91036 13.60041 244.3561       116.4528 35.63111       235.1569 312.1746       134.0431 37.45442 16.98809 53.67450 14.34816 -16.22008      22.23656 
1 1 1 -7  18 21 o 79.18212 8.291316 584.7670       110.4497 530.5858       205.8799 606.6624       130.8777 65.60384 17.88582 79.31685 9.876639 -13.71301      20.43161 
1 1 1 -7  18 22 o 77.02439 8.907442 565.4138       114.9997 490.0032       244.9040 586.7449       130.2529 57.90588 20.17698 77.38038 10.09797 -19.47450      22.56279 
1 1 1 -7  19 1  o 149.9502 3.982162 1936.255       101.9689 1844.778       160.6266 1998.005       131.9712 145.3580 6.471076 151.9162 5.087134 -6.558167      8.231268 
1 1 1 -7  19 2  o 72.24708 4.912148 453.4313       60.24300 488.1968       99.24600 433.1483       75.80630 73.97817 7.982599 70.18861 6.394819 3.789558       10.22818 
1 1 1 -7  19 3  o 69.34515 4.989623 418.1278       58.69121 438.6827       96.05217 405.8807       74.14216 70.00648 8.189411 67.90046 6.472630 2.106026       10.43846 
1 1 1 -7  19 4  o 156.3806 3.855955 2104.838       102.9714 2040.770       156.9504 2153.255       136.4412 153.1149 6.002651 157.7125 5.066144 -4.597687      7.854784 
1 1 1 -7  19 5  o 93.53256 4.194357 754.1887       66.99311 832.5716       109.9320 707.8823       84.49560 97.35897 6.652026 90.14145 5.515718 7.217522       8.641331 
1 1 1 -7  19 6  o 70.35093 4.552985 429.2117       54.40434 389.3110       83.82594 458.2505       71.51173 66.08495 7.564283 72.35006 5.837810 -6.265106      9.555020 
1 1 1 -7  19 7  o 137.5504 3.819384 1629.004       89.71337 1559.170       133.2385 1686.924       121.3421 133.8318 5.829996 139.5238 5.092852 -5.691986      7.741188 
1 1 1 -7  19 8  o 43.95176 8.242256 176.5572       59.58943 303.4603       155.1568 154.6001       64.53903 54.74610 15.75034 40.72322 9.461203 14.02288       18.37356 
1 1 1 -7  19 9  o 88.48045 4.226750 675.8704       63.86396 545.2117       93.84114 788.5937       87.16273 78.40546 7.085377 95.10470 5.389096 -16.69923      8.901961 
1 1 1 -7  19 10 o 24.65623 8.796134 48.17022       46.75478 106.0009       71.23952 4.412539       61.96819 34.01436 10.86399 21.90023 9.355578 12.11412       14.33712 
1 1 1 -7  19 11 o 52.15792 6.223611 241.4890       54.33786 118.5649       82.28923 336.5281       72.35616 35.81685 11.69713 61.39652 7.027878 -25.57967      13.64602 
1 1 1 -7  19 12 o 72.90900 6.498241 471.1950       80.05756 476.7888       102.7850 462.5674       127.6492 72.44035 8.468821 69.92060 11.05865 2.519753       13.92891 
1 1 1 -7  19 13 o 78.85564 4.750248 542.2847       63.66768 647.0361       97.12229 463.3472       84.31027 85.29888 6.722139 72.00658 6.942585 13.29230       9.663676 
1 1 1 -7  19 14 o 17.99255 8.178526 -26.94627      54.88117 -1.983557      76.74429 -53.07310      78.51334 23.36827 10.19699 20.42708 9.465646 2.941195       13.91320 
1 1 1 -7  19 15 o 102.0503 4.257644 904.4162       74.19690 945.1313       108.9405 869.1892       101.3326 103.1820 6.211727 99.05198 6.019324 4.130058       8.649729 
1 1 1 -7  19 16 o 39.12202 8.358849 144.4064       54.14810 215.3472       68.76297 28.61492       87.85065 47.80904 8.744790 26.80792 11.28142 21.00111       14.27381 
1 1 1 -7  19 17 o 67.17513 8.178718 417.4199       91.88363 466.9409       188.6846 402.0260       105.2000 63.46465 17.04782 64.86928 9.802457 -1.404625      19.66510 
1 1 1 -7  19 18 o 61.04345 9.396453 355.9165       94.80846 373.7743       156.9104 345.6482       118.9839 57.43014 15.59666 57.96424 12.39586 -0.5340958     19.92268 
1 1 1 -7  19 19 f 46.91106 13.27390 238.6266       111.1135 108.0126       199.1178 297.6922       133.9005 37.82372 16.46692 51.37720 14.58342 -13.55348      21.99626 
1 1 1 -7  19 20 o 93.34914 8.608880 823.3773       135.6869 805.7682       257.8658 830.1197       159.5629 78.14614 19.41080 91.82825 10.35633 -13.68211      22.00074 
1 1 1 -7  20 1  o 113.4547 4.212610 1113.335       81.61604 1071.337       130.3590 1140.411       104.6690 109.8711 6.984201 114.3731 5.359108 -4.501945      8.803357 
1 1 1 -7  20 2  o 123.3650 4.102449 1315.326       86.42451 1157.042       133.6072 1429.204       113.3268 114.2763 6.878605 128.1357 5.179173 -13.85947      8.610403 
1 1 1 -7  20 3  o 48.72281 6.791916 213.0553       54.97343 220.5255       88.22236 208.3136       70.28741 47.91843 11.01234 47.34285 9.023450 0.5755844      14.23707 
1 1 1 -7  20 4  o 119.8923 3.980956 1241.576       81.50431 1387.985       126.6944 1138.202       106.4577 125.9058 5.892639 114.2169 5.458143 11.68892       8.032093 
1 1 1 -7  20 5  o 51.47577 6.291442 236.0311       54.15279 234.6950       89.08610 236.8142       68.19939 49.49255 10.84064 50.89054 8.120656 -1.397987      13.54491 
1 1 1 -7  20 6  o 67.20480 5.074606 395.3172       57.80835 467.2207       85.29124 334.2187       78.62208 72.33437 6.992113 60.76209 7.753999 11.57227       10.44098 
1 1 1 -7  20 7  o 26.38496 9.292523 58.01519       52.01992 -38.85215      74.68732 149.2821       72.49614 20.70041 9.460090 39.40482 10.55967 -18.70441      14.17745 
1 1 1 -7  20 8  o 106.1322 4.187726 975.5836       75.89746 969.1876       116.9869 980.2325       99.73576 104.5129 6.588616 105.6883 5.545505 -1.175407      8.611765 
1 1 1 -7  20 9  o 58.03570 7.166865 304.1146       69.51878 594.0939       189.3538 258.9392       74.73797 75.47152 15.21761 52.87964 8.569875 22.59188       17.46478 
1 1 1 -7  20 10 o 88.49708 4.407225 680.4738       66.60335 678.6986       101.5384 681.8145       88.23847 87.06798 6.885375 87.79636 5.920013 -0.7283859     9.080470 
1 1 1 -7  20 11 o 79.77630 4.714696 556.7047       63.94348 515.2758       95.13889 590.8384       86.35708 75.38599 7.489499 81.46870 6.255084 -6.082703      9.758006 
1 1 1 -7  20 12 o 35.19675 8.307576 117.1174       49.12916 66.49844       69.91271 166.4998       69.05350 28.59619 10.66844 41.43945 9.894762 -12.84326      14.55067 
1 1 1 -7  20 13 o 35.10436 9.251947 118.6465       56.24455 73.59901       82.75671 157.3158       76.67464 30.20662 11.53166 39.79945 10.94188 -9.592836      15.89666 
1 1 1 -7  20 14 o 49.66516 8.733951 233.0222       71.36961 289.5908       88.14599 125.3507       121.6088 54.88109 9.763221 36.69159 13.98567 18.18950       17.05636 
1 1 1 -7  20 15 o 65.26257 5.896895 381.0993       65.00890 369.7991       91.18698 392.7787       92.70474 62.61945 8.767913 64.66668 8.608873 -2.047230      12.28776 
1 1 1 -7  20 16 o 66.62822 6.808380 404.6425       76.37642 332.2130       89.77506 594.4304       145.3223 58.79213 9.247368 76.91073 11.41085 -18.11860      14.68745 
1 1 1 -7  20 17 o 36.69255 13.22175 139.2582       105.8886 136.4447       152.1218 141.9027       147.4840 37.46970 15.21419 37.70829 15.09585 -0.2385864     21.43260 
1 1 1 -7  21 1  f 97.03662 4.630813 820.7861       76.73524 697.9944       114.4169 921.1668       103.4500 87.62048 7.725934 101.9566 5.967757 -14.33607      9.762385 
1 1 1 -7  21 2  o 26.76622 9.436624 61.38310       53.65927 -54.98913      89.51709 126.6486       67.03831 21.82967 10.11263 36.10340 10.34315 -14.27374      14.46534 
1 1 1 -7  21 3  o 72.89898 5.408095 469.0713       66.84372 468.1082       105.3861 469.7195       86.46105 70.92225 8.897425 72.10693 7.114427 -1.184685      11.39207 
1 1 1 -7  21 4  o 63.93701 6.163897 365.0534       66.46546 291.3945       106.7173 411.7330       84.95435 53.96545 11.90016 67.23980 7.527892 -13.27435      14.08130 
1 1 1 -7  21 5  o 73.50829 4.958199 474.6482       61.87526 540.2197       100.7712 434.9656       78.39330 76.93524 7.777034 69.56551 6.681259 7.369736       10.25288 
1 1 1 -7  21 6  f 45.64894 7.506307 192.0525       56.47950 222.7116       82.03129 164.4190       77.87858 47.81628 10.34667 40.73802 10.95637 7.078266       15.06969 
1 1 1 -7  21 7  o 75.06423 5.060119 495.7898       64.48433 488.0442       103.0588 500.7734       82.66583 72.59570 8.472668 74.70984 6.545584 -2.114143      10.70658 
1 1 1 -7  21 8  o 40.57322 7.962358 154.1745       53.19745 136.0643       79.58784 168.7999       71.52201 37.03666 11.43537 41.51691 10.16883 -4.480251      15.30271 
1 1 1 -7  21 9  o 98.55215 4.451824 847.1592       74.92142 757.6708       112.9789 917.4034       100.0966 91.34694 7.303799 101.6725 5.789146 -10.32557      9.319855 
1 1 1 -7  21 10 o 41.33230 9.021469 164.3598       61.88736 237.6977       187.7606 155.4211       65.55046 45.52999 17.37251 39.85722 9.718472 5.672764       19.90610 
1 1 1 -7  21 11 o 66.97745 5.060774 396.7553       57.45531 386.4702       81.52638 406.9041       80.98448 64.78938 7.507866 66.66846 7.229268 -1.879082      10.42259 
1 1 1 -7  21 12 o 57.34646 6.393945 298.3206       61.54882 374.2483       83.76051 209.2028       90.74477 63.37288 7.912272 44.92538 11.70930 18.44749       14.13194 
1 1 1 -7  21 13 o 42.15395 8.362026 170.0388       58.06848 257.1468       75.35315 42.67325       91.11675 51.77691 8.839753 27.67068 11.55667 24.10623       14.54984 
1 1 1 -7  22 1  f 27.20018 9.827161 64.42234       58.55087 5.112630       93.99002 102.0340       74.84801 25.46675 11.19399 32.50859 11.16422 -7.041840      15.80966 
1 1 1 -7  22 2  o 19.58330 8.507851 0.5235931      52.93093 -11.80788      94.29503 6.196766       63.95792 24.45636 10.95299 21.77338 9.405618 2.682980       14.43723 
1 1 1 -7  22 3  o 108.4201 5.388241 1039.902       99.76054 857.6812       133.7979 1268.022       149.7037 95.98817 8.242579 117.6404 7.491008 -21.65218      11.13801 
1 1 1 -7  22 4  o 65.01250 6.055142 380.2024       66.45064 433.9746       104.6709 343.8981       86.00544 67.26699 9.366327 60.30458 8.594876 6.962414       12.71220 
1 1 1 -7  22 5  o 59.48679 6.623583 322.0501       66.14209 354.4283       106.4146 301.6671       84.43235 59.58036 10.85925 56.06372 9.133602 3.516644       14.18964 
1 1 1 -7  22 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  1  o 276.8635 20.22605 6699.766       944.5366 6699.766       944.5366 6699.766       944.5366 276.8635 20.22605 276.8635 20.22605 -0.000000      0.000000 
1 1 1 -6  0  2  o 272.0486 19.94408 6466.743       915.0910 6466.743       915.0910 6466.743       915.0910 272.0486 19.94408 272.0486 19.94408 0.000000       0.000000 
1 1 1 -6  0  3  o 375.4199 37.54623 12695.89       2351.829 12695.89       2351.829 12695.89       2351.829 375.4199 37.54623 375.4199 37.54623 0.000000       0.000000 
1 1 1 -6  0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  7  o 356.7751 36.31288 11559.31       2159.836 11559.31       2159.836 11559.31       2159.836 356.7751 36.31288 356.7751 36.31288 -0.000000      0.000000 
1 1 1 -6  0  8  o 305.4930 8.080658 8001.810       420.8842 8001.810       420.8842 8001.810       420.8842 305.4930 8.080658 305.4930 8.080658 0.000000       0.000000 
1 1 1 -6  0  9  o 364.1739 6.866405 11355.12       426.6696 11355.12       426.6696 11355.12       426.6696 364.1739 6.866405 364.1739 6.866405 0.000000       0.000000 
1 1 1 -6  0  10 o 188.5565 5.134791 3045.211       165.0583 3045.211       165.0583 3045.211       165.0583 188.5565 5.134791 188.5565 5.134791 0.000000       0.000000 
1 1 1 -6  0  11 o 325.4537 6.943934 9068.399       385.5230 9068.399       385.5230 9068.399       385.5230 325.4537 6.943934 325.4537 6.943934 -0.000000      0.000000 
1 1 1 -6  0  12 o 328.8013 6.952990 9252.505       390.0035 9252.505       390.0035 9252.505       390.0035 328.8013 6.952990 328.8013 6.952990 -0.000000      0.000000 
1 1 1 -6  0  13 o 394.2254 7.836752 13299.12       527.1027 13299.12       527.1027 13299.12       527.1027 394.2254 7.836752 394.2254 7.836752 0.000000       0.000000 
1 1 1 -6  0  14 o 454.7399 8.771860 17697.60       680.6001 17697.60       680.6001 17697.60       680.6001 454.7399 8.771860 454.7399 8.771860 0.000000       0.000000 
1 1 1 -6  0  15 o 410.7935 8.177343 14441.94       573.1248 14441.94       573.1248 14441.94       573.1248 410.7935 8.177343 410.7935 8.177343 -0.000000      0.000000 
1 1 1 -6  0  16 o 145.2367 5.642646 1810.239       139.4665 1810.239       139.4665 1810.239       139.4665 145.2367 5.642646 145.2367 5.642646 0.000000       0.000000 
1 1 1 -6  0  17 o 487.6204 8.933076 20356.02       743.2861 20356.02       743.2861 20356.02       743.2861 487.6204 8.933076 487.6204 8.933076 -0.000000      0.000000 
1 1 1 -6  0  18 o 51.87986 12.76908 268.2741       97.95164 268.2741       97.95164 268.2741       97.95164 51.87986 12.76908 51.87986 12.76908 0.000000       0.000000 
1 1 1 -6  0  19 o 88.77374 7.115894 686.8324       106.2793 686.8324       106.2793 686.8324       106.2793 88.77374 7.115894 88.77374 7.115894 0.000000       0.000000 
1 1 1 -6  0  20 o 136.6006 4.593242 1599.983       106.8709 1599.983       106.8709 1599.983       106.8709 136.6006 4.593242 136.6006 4.593242 0.000000       0.000000 
1 1 1 -6  0  21 o 301.6253 7.073479 7800.906       363.8841 7800.906       363.8841 7800.906       363.8841 301.6253 7.073479 301.6253 7.073479 0.000000       0.000000 
1 1 1 -6  0  22 o 154.6456 5.744452 2054.609       151.2258 2054.609       151.2258 2054.609       151.2258 154.6456 5.744452 154.6456 5.744452 0.000000       0.000000 
1 1 1 -6  0  23 o 58.78365 12.69073 335.7777       111.7510 335.7777       111.7510 335.7777       111.7510 58.78365 12.69073 58.78365 12.69073 0.000000       0.000000 
1 1 1 -6  0  24 o 59.52082 19.47933 393.3593       175.4567 393.3593       175.4567 393.3593       175.4567 59.52082 19.47933 59.52082 19.47933 0.000000       0.000000 
1 1 1 -6  0  25 o 21.24262 12.67675 42.05191       81.21575 42.05191       81.21575 42.05191       81.21575 21.24262 12.67675 21.24262 12.67675 -0.000000      0.000000 
1 1 1 -6  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  27 o 107.6806 6.893847 1007.197       125.5740 1007.197       125.5740 1007.197       125.5740 107.6806 6.893847 107.6806 6.893847 0.000000       0.000000 
1 1 1 -6  0  28 o 28.42142 15.01763 102.8117       97.43829 102.8117       97.43829 102.8117       97.43829 28.42142 15.01763 28.42142 15.01763 -0.000000      0.000000 
1 1 1 -6  0  29 o 186.6338 5.939443 3000.114       188.8603 3000.114       188.8603 3000.114       188.8603 186.6338 5.939443 186.6338 5.939443 -0.000000      0.000000 
1 1 1 -6  0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  31 o 17.81714 11.64610 -5.993377      87.27486 -5.993377      87.27486 -5.993377      87.27486 17.81714 11.64610 17.81714 11.64610 0.000000       0.000000 
1 1 1 -6  0  32 o 131.4151 5.596424 1497.415       125.0728 1497.415       125.0728 1497.415       125.0728 131.4151 5.596424 131.4151 5.596424 -0.000000      0.000000 
1 1 1 -6  0  33 o 132.8175 6.020556 1537.043       135.9118 1537.043       135.9118 1537.043       135.9118 132.8175 6.020556 132.8175 6.020556 0.000000       0.000000 
1 1 1 -6  0  34 o 11.39570 8.194388 -125.9752      77.70944 -125.9752      77.70944 -125.9752      77.70944 11.39570 8.194388 11.39570 8.194388 -0.000000      0.000000 
1 1 1 -6  0  35 o 56.35754 10.21614 309.7254       88.73711 309.7254       88.73711 309.7254       88.73711 56.35754 10.21614 56.35754 10.21614 0.000000       0.000000 
1 1 1 -6  0  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  1  1  o 196.9514 5.383650 3315.844       181.0664 3138.520       255.5278 3494.673       256.6088 191.4899 7.814303 202.0863 7.435886 -10.59637      10.78683 
1 1 1 -6  1  2  o 174.8396 6.750924 2614.689       201.5602 2488.656       220.1195 3268.948       501.5235 170.5355 7.558609 194.2097 15.24481 -23.67422      17.01578 
1 1 1 -6  1  3  o 150.7096 14.22576 1971.514       361.7851 1987.469       511.5857 1955.553       511.6971 150.0301 20.50498 148.7517 20.70563 1.278336       29.14065 
1 1 1 -6  1  4  o 486.7047 32.18432 21140.20       2659.826 20229.55       3761.498 22050.91       3761.625 463.9568 48.17936 486.6320 45.80509 -22.67520      66.47825 
1 1 1 -6  1  5  o 72.18516 11.28884 457.8690       134.5967 603.3509       190.8203 313.8169       189.8802 82.60021 14.03014 59.70916 17.49525 22.89105       22.42607 
1 1 1 -6  1  6  o 425.1847 10.95094 15522.62       795.1166 0.000000       0.000000 15522.62       795.1166 ?        ?        425.1847 10.95094 0.000000       10.95094 
1 1 1 -6  1  7  o 425.2568 10.30959 15530.60       748.6769 14995.33       2635.360 15577.59       780.8495 401.3693 38.93972 425.7952 10.73902 -24.42593      40.39342 
1 1 1 -6  1  8  o 370.8620 6.767437 11779.63       428.5865 11848.22       594.5805 11705.45       618.3432 371.4167 9.374481 369.0688 9.811158 2.347900       13.56981 
1 1 1 -6  1  9  o 140.0036 3.731277 1675.313       89.20691 1662.940       112.3735 1696.398       146.6923 139.4427 4.719175 140.7609 6.102720 -1.318146      7.714519 
1 1 1 -6  1  10 o 138.1104 3.421486 1629.938       80.69432 1645.601       100.4511 1601.439       135.4959 138.7427 4.239771 136.7954 5.800328 1.947296       7.184669 
1 1 1 -6  1  11 o 182.8232 3.244509 2855.496       101.2936 2761.539       141.6764 2953.749       144.8789 179.7379 4.615896 185.8902 4.564013 -6.152267      6.491280 
1 1 1 -6  1  12 o 109.9962 2.823202 1033.398       53.03001 963.7866       73.75418 1107.903       76.30223 106.2085 4.066545 113.8753 3.923791 -7.666824      5.650923 
1 1 1 -6  1  13 o 99.93411 2.775903 852.9245       47.37181 868.3271       65.40221 835.9257       68.70766 100.8212 3.798733 98.91875 4.067472 1.902412       5.565493 
1 1 1 -6  1  14 o 79.45338 2.787956 539.1443       37.82686 589.5486       54.36310 491.8349       52.66769 83.07524 3.832045 75.76638 4.085773 7.308861       5.601617 
1 1 1 -6  1  15 o 70.43517 3.817276 425.0508       45.74256 386.5239       64.34303 464.4194       65.04213 67.00632 5.676558 73.53274 5.213589 -6.526421      7.707452 
1 1 1 -6  1  16 o 324.0840 4.756100 8975.376       263.2149 8475.573       375.6100 9457.646       368.9632 314.7779 6.987648 332.5558 6.497055 -17.77795      9.541433 
1 1 1 -6  1  17 o 344.2217 4.663129 10126.20       274.1054 10133.70       389.2726 10118.82       386.0348 344.1889 6.623003 343.9410 6.572651 0.2478943      9.330805 
1 1 1 -6  1  18 o 112.1685 3.975476 1075.141       76.14864 1188.131       105.9576 954.4445       109.5111 117.8795 5.263709 105.4514 6.107554 12.42813       8.062806 
1 1 1 -6  1  19 o 204.7858 3.289010 3583.263       115.0183 3737.535       165.0522 3437.620       160.3697 209.0757 4.622914 200.5081 4.683695 8.567642       6.580906 
1 1 1 -6  1  20 o 503.2368 5.959388 21686.60       512.1250 21332.25       723.8017 22041.83       724.7075 498.3520 8.505139 506.6177 8.376845 -8.265656      11.93771 
1 1 1 -6  1  21 o 254.0071 3.989008 5518.107       173.0265 5349.483       243.7318 5689.426       245.6727 249.8767 5.711951 257.7137 5.582356 -7.836960      7.986807 
1 1 1 -6  1  22 o 225.4574 4.605213 4351.787       177.3030 4407.235       219.8982 4248.761       299.7451 226.7308 5.679489 222.1943 7.899819 4.536453       9.729529 
1 1 1 -6  1  23 o 92.66982 6.017092 740.2294       94.70431 657.0146       137.1229 816.1254       130.9541 86.66331 9.417151 96.99246 7.977117 -10.32915      12.34168 
1 1 1 -6  1  24 o 89.01297 4.766410 681.0566       72.18842 602.5927       99.88879 766.8385       104.4431 83.36008 7.084213 94.20557 6.532698 -10.84549      9.636504 
1 1 1 -6  1  25 o 65.61916 8.493476 378.6327       92.94065 284.2225       138.1556 456.6796       125.6136 55.57679 14.42966 71.65273 10.58467 -16.07594      17.89554 
1 1 1 -6  1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  1  27 o 92.87931 5.253978 743.3567       82.98987 776.0110       115.2891 708.2394       119.5580 94.53261 7.195792 90.14058 7.845286 4.392029       10.64556 
1 1 1 -6  1  28 o 111.5459 4.722648 1068.318       89.95824 1176.726       125.6987 954.4984       128.7982 116.6432 6.334335 104.8041 7.241046 11.83916       9.620631 
1 1 1 -6  1  29 o 117.2291 4.284902 1180.488       85.77845 1248.287       120.3301 1110.437       122.3123 120.2342 5.860631 113.1185 6.357687 7.115685       8.646802 
1 1 1 -6  1  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  1  31 o 134.5621 4.165710 1560.201       95.72246 1546.647       136.8827 1573.172       133.9102 133.3221 6.012353 134.5363 5.828705 -1.214203      8.373899 
1 1 1 -6  1  32 o 56.28060 6.696216 281.8940       63.09297 361.0909       83.49496 176.4798       96.32874 63.33008 7.891779 42.73460 12.44392 20.59549       14.73537 
1 1 1 -6  1  33 o 22.33512 9.299248 16.32517       58.73612 103.5344       84.10295 -66.70953      82.06536 33.89818 11.82328 20.32674 9.505491 13.57144       15.17051 
1 1 1 -6  1  34 o 72.03027 5.382474 458.2152       65.72784 393.1361       91.52812 527.5113       94.44700 65.14657 8.424728 76.26375 7.342924 -11.11718      11.17562 
1 1 1 -6  1  35 o 33.15499 11.50326 105.2358       79.56145 39.30944       116.2515 163.3223       109.1205 29.92794 12.80022 39.61474 13.48190 -9.686802      18.59052 
1 1 1 -6  1  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  2  1  o 502.1428 9.549861 21617.55       818.8912 21784.88       1182.451 21463.34       1135.169 502.9746 13.76688 499.3864 13.31135 3.588196       19.14990 
1 1 1 -6  2  2  o 220.9917 4.532438 4173.592       171.0447 4046.059       241.2870 4302.416       242.5052 217.4872 6.496783 224.2815 6.331777 -6.794373      9.071912 
1 1 1 -6  2  3  o 194.3040 7.317665 3231.011       242.8042 3208.930       254.0226 3464.563       826.1535 193.6161 7.682966 197.3257 25.08435 -3.709595      26.23457 
1 1 1 -6  2  4  o 286.9330 16.65464 7139.551       812.5406 7584.118       1407.422 6917.297       995.1335 291.5055 28.64313 281.1839 20.87368 10.32159       35.44206 
1 1 1 -6  2  5  o 29.11453 7.143804 75.44690       35.25098 84.66238       55.53880 69.22980       45.61750 31.36196 9.528798 28.38288 8.638583 2.979080       12.86169 
1 1 1 -6  2  6  o 82.54621 5.474848 585.2766       76.73606 626.9307       166.0592 573.9669       86.52872 84.57255 11.82137 81.66598 6.252141 2.906570       13.37288 
1 1 1 -6  2  7  o 194.3429 4.891377 3229.719       162.3311 3288.463       233.2482 3174.540       226.0622 195.9501 6.970610 192.5340 6.875728 3.416138       9.791069 
1 1 1 -6  2  8  o 223.6321 5.736849 4280.064       219.0834 4242.470       311.2242 4316.993       308.4557 222.3790 8.195540 224.3422 8.051559 -1.963135      11.48889 
1 1 1 -6  2  9  o 167.1778 4.444090 2389.681       126.8713 2392.427       175.6085 2386.683       183.4976 167.1662 6.151700 166.9442 6.436610 0.2220459      8.903559 
1 1 1 -6  2  10 o 128.1322 3.795193 1403.064       83.04131 1392.646       101.9834 1423.562       143.0523 127.6260 4.679383 128.7879 6.525871 -1.161919      8.030169 
1 1 1 -6  2  11 o 320.0819 6.149910 8763.629       336.1490 8572.801       414.9484 9127.952       573.3455 316.4171 7.679487 326.1339 10.29482 -9.716766      12.84359 
1 1 1 -6  2  12 o 378.3188 5.212894 12232.79       336.7742 11835.23       475.6087 12632.56       476.9354 371.9214 7.488532 384.2684 7.268134 -12.34698      10.43570 
1 1 1 -6  2  13 o 215.7371 3.827728 3975.810       141.0159 3866.102       197.8230 4089.148       201.0698 212.6887 5.446661 218.7404 5.382895 -6.051682      7.657786 
1 1 1 -6  2  14 o 317.4323 4.923162 8610.245       266.8683 8605.373       377.0820 8615.133       377.7365 317.2179 6.961072 317.3971 6.969219 -0.1792603     9.850204 
1 1 1 -6  2  15 o 175.1933 3.003224 2621.462       89.84776 2251.453       123.7281 3034.249       130.6849 162.3285 4.463462 188.4581 4.060773 -26.12964      6.034266 
1 1 1 -6  2  16 o 398.0875 5.242853 13545.21       356.4086 13962.10       599.1066 13316.85       443.4048 403.7968 8.688390 394.5983 6.580262 9.198517       10.89899 
1 1 1 -6  2  17 f 353.3455 4.911016 10671.58       296.3281 10500.35       412.7384 10853.74       425.7047 350.3196 6.899355 356.1550 6.999506 -5.835419      9.828235 
1 1 1 -6  2  18 o 285.4089 4.161466 6961.667       202.8223 6896.525       285.9485 7027.622       287.7278 283.9366 5.897455 286.6243 5.878507 -2.687714      8.326873 
1 1 1 -6  2  19 o 213.2415 3.673892 3886.127       133.7827 3775.032       188.7396 3998.307       189.6584 210.0694 5.261364 216.2020 5.137012 -6.132645      7.353288 
1 1 1 -6  2  20 o 141.5851 4.116593 1714.138       99.53078 1698.828       121.2026 1745.842       174.4165 140.8999 5.037318 142.4947 7.191033 -1.594757      8.779837 
1 1 1 -6  2  21 f 289.8380 4.861600 7191.258       240.6227 7745.908       404.9449 6888.529       299.1668 300.1732 7.899910 283.4465 6.180738 16.72662       10.03046 
1 1 1 -6  2  22 o 85.62259 4.741784 629.7023       69.06131 649.0903       90.97161 603.3303       106.0992 86.75827 6.180755 83.42126 7.529028 3.337006       9.741047 
1 1 1 -6  2  23 o 109.2925 4.085927 1022.485       76.25758 1043.788       104.4886 998.2074       111.5460 110.1660 5.572288 107.6510 6.092835 2.514961       8.256696 
1 1 1 -6  2  24 o 77.64326 5.027472 519.1340       66.30058 529.0939       91.10384 507.9200       96.66985 78.09791 6.902227 76.39643 7.506912 1.701477       10.19777 
1 1 1 -6  2  25 o 21.17707 9.000408 1.471545       56.82157 28.15197       80.89462 -24.51229      79.83160 27.32714 11.09508 23.10169 10.22797 4.225447       15.09013 
1 1 1 -6  2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  2  27 o 241.3677 8.580194 5056.525       353.6537 5056.525       353.6537 0.000000       0.000000 241.3677 8.580194 ?        ?        0.000000       8.580194 
1 1 1 -6  2  28 o 38.38432 10.29231 133.7038       68.84719 148.8047       92.42148 114.8764       103.1965 40.70312 12.27542 37.56954 13.09719 3.133579       17.95055 
1 1 1 -6  2  29 o 106.0496 4.619071 967.2740       83.64995 993.1879       119.0353 941.9915       117.5759 106.8775 6.553743 104.0484 6.652112 2.829193       9.338208 
1 1 1 -6  2  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  2  31 o 20.21703 8.930936 -14.20777      60.53824 -5.800191      81.26796 -24.68972      90.74126 24.15393 10.51779 24.26634 10.81499 -0.1124153     15.08601 
1 1 1 -6  2  32 o 122.2693 4.160459 1291.179       86.86817 1310.453       121.0759 1270.732       124.7048 122.5276 5.786579 120.3756 6.086320 2.151955       8.398083 
1 1 1 -6  2  33 o 81.45573 5.144417 581.0816       71.19064 636.3656       94.86124 509.7976       107.7172 84.57758 6.620823 74.60952 8.612754 9.968056       10.86346 
1 1 1 -6  2  34 o 33.97210 11.56965 109.7498       80.36143 20.07334       118.2997 186.5891       109.5055 29.25219 12.71380 42.42506 13.46080 -13.17287      18.51577 
1 1 1 -6  2  35 o 34.98050 11.00242 121.5805       73.29217 141.1815       109.6653 105.7584       98.52840 37.40892 13.45804 33.81253 12.65501 3.596394       18.47345 
1 1 1 -6  3  1  o 36.89720 4.832029 118.3792       29.71394 123.9162       41.29412 112.4339       42.78947 37.48784 6.696247 35.58975 7.285898 1.898090       9.895657 
1 1 1 -6  3  2  o 398.3150 7.535974 13587.79       512.5875 14280.88       724.8317 12894.42       724.9847 407.7844 10.40889 387.3624 10.95997 20.42200       15.11509 
1 1 1 -6  3  3  o 268.4070 5.062843 6159.637       232.0546 6669.783       335.6551 5692.561       321.1734 279.1222 7.042016 257.8400 7.294361 21.28214       10.13892 
1 1 1 -6  3  4  o 61.22815 3.635558 321.4547       37.84185 340.8226       57.52326 306.6778       50.24501 62.89750 5.408197 59.68423 4.975156 3.213264       7.348522 
1 1 1 -6  3  5  o 354.5529 6.458102 10760.22       391.0100 11153.86       552.0129 10363.83       553.9354 360.5623 8.965345 347.4881 9.335062 13.07413       12.94298 
1 1 1 -6  3  6  o 37.00197 5.943893 120.1160       36.28611 76.40828       57.51699 149.0131       46.76749 30.27217 9.771552 41.15754 6.898256 -10.88536      11.96115 
1 1 1 -6  3  7  o 117.7169 4.454330 1184.852       89.54121 1171.716       124.3348 1199.005       129.0580 116.8164 6.255565 118.1547 6.420451 -1.338287      8.964056 
1 1 1 -6  3  8  o 102.8375 4.285532 904.1519       75.25898 753.8130       104.4546 1066.441       108.5266 93.58817 6.577686 111.4838 5.719883 -17.89567      8.716825 
1 1 1 -6  3  9  o 384.9759 7.833828 12703.84       515.0027 12789.21       729.1037 12618.83       727.5463 385.5176 11.07499 382.9274 11.12608 2.590210       15.69857 
1 1 1 -6  3  10 o 358.8886 6.336007 11020.15       388.3088 10881.31       475.7800 11297.13       672.0038 356.4289 7.816841 362.6488 10.85134 -6.219910      13.37366 
1 1 1 -6  3  11 o 70.90829 3.630519 430.6575       43.81358 446.9297       53.80206 398.6210       75.49154 72.18864 4.385204 67.95077 6.588605 4.237877       7.914527 
1 1 1 -6  3  12 o 131.3661 3.485785 1474.059       78.19625 1454.704       95.89671 1512.466       135.0849 130.4870 4.303628 133.0150 5.947087 -2.528030      7.340916 
1 1 1 -6  3  13 o 131.1142 3.966631 1468.548       88.81236 1282.609       109.2334 1831.187       152.5482 122.5105 5.221320 146.3604 6.103536 -23.84992      8.032144 
1 1 1 -6  3  14 o 304.9595 4.407912 7945.820       229.5499 7766.428       324.3612 8125.813       324.9045 301.3951 6.302180 308.2981 6.171391 -6.902954      8.820631 
1 1 1 -6  3  15 o 143.3139 3.130989 1754.294       76.62524 1745.081       105.9850 1764.383       110.9117 142.9138 4.342787 143.6979 4.519859 -0.7841492     6.268088 
1 1 1 -6  3  16 o 390.7119 4.720977 13045.90       314.9854 13533.36       446.5836 12563.33       444.3382 397.7773 6.574471 383.2343 6.789649 14.54297       9.451084 
1 1 1 -6  3  17 o 213.8800 3.719710 3908.353       135.8567 3720.398       190.5945 4102.490       193.7041 208.6015 5.350456 219.0610 5.178117 -10.45944      7.445823 
1 1 1 -6  3  18 o 151.0896 3.607543 1950.631       93.07819 1929.498       127.8112 1974.495       135.8183 150.2165 4.982522 151.9464 5.234388 -1.729919      7.226642 
1 1 1 -6  3  19 o 76.59912 4.494957 503.4510       58.53891 516.3580       68.59161 468.8425       112.3180 77.51380 5.212207 73.31282 9.172293 4.200981       10.54979 
1 1 1 -6  3  20 o 237.1149 6.483191 4819.502       262.5123 4173.695       667.1855 4937.794       285.5440 217.0627 18.16650 239.9338 6.969149 -22.87114      19.45741 
1 1 1 -6  3  21 o 60.60324 4.629902 316.1977       47.55225 299.5242       61.02568 341.9698       75.87066 58.77917 6.171913 62.68921 7.219139 -3.910038      9.497814 
1 1 1 -6  3  22 o 169.8918 3.562537 2468.678       103.3555 2490.288       142.8546 2444.942       149.7205 170.5022 4.906394 168.9099 5.190678 1.592270       7.142538 
1 1 1 -6  3  23 o 90.41396 3.885014 699.6504       59.98325 651.9073       81.85491 755.0230       88.15304 86.99385 5.538855 93.64705 5.537018 -6.653198      7.831825 
1 1 1 -6  3  24 o 163.1445 4.095560 2279.369       114.1005 2337.474       158.6415 2217.099       164.2285 164.9919 5.630569 160.6284 5.987206 4.363541       8.218878 
1 1 1 -6  3  25 o 122.6110 11.63989 1328.893       240.7920 1218.284       344.8517 1434.127       336.3694 114.5953 18.23323 125.5720 16.05381 -10.97677      24.29353 
1 1 1 -6  3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  3  27 o 96.62206 5.236176 804.4652       86.07325 822.8998       120.4873 785.2525       123.0036 97.31163 7.303893 94.96689 7.649655 2.344742       10.57658 
1 1 1 -6  3  28 o 49.57496 13.14440 227.5828       113.0861 257.1648       149.7738 188.3544       172.4735 52.58061 15.57487 47.50387 16.89991 5.076740       22.98224 
1 1 1 -6  3  29 o 20.90804 9.042793 -4.829896      59.26333 -3.478114      80.83516 -6.400833      87.14173 24.50938 10.58079 25.22010 10.93650 -0.7107258     15.21710 
1 1 1 -6  3  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  3  31 o 27.16434 9.619137 59.45592       55.81396 11.59967       75.31419 117.7586       83.12884 24.59505 10.40288 36.01424 11.75641 -11.41919      15.69819 
1 1 1 -6  3  32 o 29.97654 10.36730 77.25432       64.59886 100.5050       102.6250 61.99603       83.13576 34.88967 12.94345 29.79996 11.51182 5.089708       17.32209 
1 1 1 -6  3  33 o 79.45560 6.147862 559.6317       82.76704 492.8643       114.6328 632.3440       119.6275 72.75481 9.449817 83.11496 8.550457 -10.36015      12.74399 
1 1 1 -6  3  34 o 62.34592 7.878421 357.9491       82.00587 326.4296       119.7769 385.7608       112.5114 56.36434 12.74331 62.81843 10.88259 -6.454086      16.75776 
1 1 1 -6  3  35 o 84.07735 6.010433 633.0712       85.72623 753.3378       131.7998 544.8834       112.8618 89.52917 8.731972 75.93906 8.870369 13.59010       12.44712 
1 1 1 -6  4  1  o 356.3096 6.619087 10873.02       402.7426 10800.44       581.8777 10939.76       558.0003 354.5213 9.611419 356.9062 9.155424 -2.384888      13.27408 
1 1 1 -6  4  2  o 302.5901 5.409871 7833.458       279.5398 7503.680       403.8981 8136.663       387.2831 295.8011 7.995951 308.1278 7.360303 -12.32666      10.86781 
1 1 1 -6  4  3  o 133.4937 3.387087 1522.776       77.21275 1591.082       123.4294 1478.860       98.96859 136.3770 5.299995 131.5188 4.406642 4.858231       6.892637 
1 1 1 -6  4  4  o 268.5616 4.171501 6165.786       191.3103 5963.753       271.3634 6365.425       269.7510 263.9513 6.020401 272.7210 5.792187 -8.769684      8.354320 
1 1 1 -6  4  5  o 117.4439 2.966180 1178.443       59.48804 1122.390       96.01353 1213.368       75.78735 114.5534 4.908203 119.1496 3.724794 -4.596176      6.161538 
1 1 1 -6  4  6  o 248.6059 4.542385 5284.806       192.8401 5123.230       239.7851 5580.654       324.4658 244.6696 5.739054 255.1557 7.446662 -10.48616      9.401570 
1 1 1 -6  4  7  o 64.26871 3.829489 354.2762       41.83766 341.7130       52.09571 377.0980       70.21452 63.02320 4.878611 66.07011 6.299600 -3.046902      7.967798 
1 1 1 -6  4  8  o 188.9473 5.228431 3053.272       168.6996 3050.893       239.7617 3055.605       237.4102 188.7153 7.439963 188.8676 7.361056 -0.1522980     10.46605 
1 1 1 -6  4  9  o 154.3638 5.413514 2037.463       142.7009 1838.085       198.1478 2252.291       205.6821 146.2791 7.962393 162.1948 7.426045 -15.91571      10.88788 
1 1 1 -6  4  10 o 201.3240 6.279603 3466.109       215.8886 3473.424       300.0432 3458.258       310.8698 201.3900 8.724566 200.9261 9.060251 0.4638977      12.57800 
1 1 1 -6  4  11 o 227.2113 4.646603 4411.102       180.2883 4387.895       221.4876 4456.672       310.3702 226.5704 5.724590 228.2217 7.963816 -1.651337      9.807818 
1 1 1 -6  4  12 o 326.5408 5.643672 9113.497       314.7032 8352.001       384.7885 10651.87       546.9131 312.5012 7.210550 352.7444 9.079382 -40.24319      11.59428 
1 1 1 -6  4  13 o 269.5240 5.166394 6207.934       237.7864 5996.405       291.2343 6630.934       411.8391 264.8282 6.439860 278.3345 8.664803 -13.50632      10.79586 
1 1 1 -6  4  14 o 443.6584 6.201274 16828.91       469.8202 16448.17       575.1404 17592.52       814.5161 438.4530 7.681551 453.0373 10.52844 -14.58423      13.03281 
1 1 1 -6  4  15 f 233.9948 3.536748 4677.275       141.3228 4971.924       150.6048 2505.496       408.8784 241.2486 3.655711 170.0636 14.20947 71.18500       14.67219 
1 1 1 -6  4  16 o 416.7357 5.060365 14844.88       360.1177 15105.84       508.3453 14581.97       510.2266 420.1584 7.085064 412.7889 7.238242 7.369476       10.12869 
1 1 1 -6  4  17 o 362.2300 5.152769 11218.88       318.7330 11030.92       393.9418 11575.12       542.3491 359.0434 6.425149 367.4698 8.642818 -8.426361      10.76944 
1 1 1 -6  4  18 o 106.4945 3.812307 969.2694       69.32934 871.7695       100.3850 1058.185       95.86414 100.7609 5.859415 111.2317 5.046911 -10.47082      7.733308 
1 1 1 -6  4  19 o 311.0666 5.058662 8279.372       268.7144 8295.664       334.1634 8249.559       452.0471 311.1932 6.288207 309.9004 8.542004 1.292877       10.60695 
1 1 1 -6  4  20 o 48.68219 5.938204 206.0810       48.34284 191.5838       65.20856 223.7718       72.03410 46.47705 8.530428 50.29301 8.702449 -3.815952      12.18609 
1 1 1 -6  4  21 f 90.01286 3.804445 693.0496       58.47871 720.5533       78.97666 659.6673       87.00826 91.57864 5.069882 87.51693 5.855711 4.061714       7.745519 
1 1 1 -6  4  22 o 130.9868 3.463586 1467.493       77.47388 1343.808       107.3164 1602.114       111.9603 125.2267 5.018425 136.7551 4.794225 -11.52843      6.940403 
1 1 1 -6  4  23 o 269.5595 4.090108 6221.321       188.2745 6282.968       265.1441 6158.625       267.3907 270.5299 5.739377 267.8122 5.846743 2.717773       8.192976 
1 1 1 -6  4  24 o 141.6703 3.729084 1718.118       90.21585 1689.623       124.8309 1749.274       130.5287 140.3181 5.209625 142.7533 5.354486 -2.435211      7.470657 
1 1 1 -6  4  25 o 22.81605 10.24475 -36.82267      83.06075 -193.9465      203.3940 -5.374753      90.99407 31.56749 14.82635 26.10441 11.24777 5.463079       18.61002 
1 1 1 -6  4  26 o 109.8940 4.756654 1036.087       89.26424 1132.324       120.2624 918.0230       133.2048 114.5358 6.171525 102.7835 7.643852 11.75224       9.824265 
1 1 1 -6  4  27 o 161.4230 4.129068 2233.850       113.8202 2319.987       159.4923 2144.454       162.4815 164.2096 5.687733 157.8009 6.029655 6.408646       8.288972 
1 1 1 -6  4  28 o 175.8544 4.130288 2653.863       124.0325 2647.006       167.3492 2662.219       184.7568 175.2588 5.591675 175.5883 6.161735 -0.3295135     8.320684 
1 1 1 -6  4  29 o 141.0040 4.209553 1709.583       101.3606 1786.111       136.1610 1614.464       151.8022 143.7549 5.546620 136.3584 6.519202 7.396484       8.559497 
1 1 1 -6  4  30 o 22.58700 9.729357 -0.9440468     68.04437 -99.21787      86.66270 157.0248       109.8750 19.84854 9.428337 41.34187 13.51700 -21.49333      16.48038 
1 1 1 -6  4  31 o 83.47744 5.408205 607.8504       76.68002 442.9910       107.5072 778.5704       109.4014 69.74304 9.255429 93.93761 6.867554 -24.19456      11.52503 
1 1 1 -6  4  32 o 92.41208 5.580572 748.1344       87.65308 689.2989       124.6032 805.7708       123.3270 87.26646 8.468013 94.86919 7.678413 -7.602730      11.43089 
1 1 1 -6  4  33 o 46.64554 9.815422 208.2450       75.70912 132.2478       108.5926 280.1215       105.6075 37.41428 13.39923 53.07434 11.94109 -15.66006      17.94795 
1 1 1 -6  4  34 o 38.60956 10.62951 147.7247       72.30075 240.9675       111.4727 80.01622       94.99098 47.87388 13.20616 31.54317 12.27162 16.33071       18.02763 
1 1 1 -6  4  35 o 37.86801 11.05163 146.2902       75.90305 113.2886       113.8377 172.7056       101.8467 34.75821 13.45857 40.22445 13.00483 -5.466248      18.71520 
1 1 1 -6  5  1  o 223.6469 4.171694 4275.245       159.3226 5000.566       277.4548 3918.418       194.6055 241.6698 6.723074 214.0387 5.324282 27.63118       8.575996 
1 1 1 -6  5  2  o 173.0683 3.582456 2559.542       105.8767 2835.976       176.1517 2403.192       132.4769 182.0627 5.665833 167.6532 4.627287 14.40955       7.315289 
1 1 1 -6  5  3  o 198.6083 3.865545 3371.206       131.1022 3292.110       215.3329 3417.795       165.2625 196.0976 6.430373 199.9212 4.840760 -3.823563      8.048767 
1 1 1 -6  5  4  o 170.3584 3.450728 2479.861       100.3867 2415.902       144.8515 2538.969       139.2505 168.0748 5.046831 172.3193 4.732175 -4.244553      6.918380 
1 1 1 -6  5  5  o 293.1936 4.971401 7350.796       248.9059 7237.464       309.1788 7559.534       419.5984 290.8004 6.226054 296.9322 8.275125 -6.131866      10.35574 
1 1 1 -6  5  6  o 282.9342 4.408570 6842.562       213.0027 6933.473       304.9390 6755.942       297.6556 284.6479 6.273402 280.9870 6.203346 3.660919       8.822533 
1 1 1 -6  5  7  o 167.0899 4.093835 2385.788       116.8106 2403.782       144.7995 2352.258       197.6648 167.6823 5.056827 165.7806 6.982223 1.901672       8.621076 
1 1 1 -6  5  8  o 195.6430 4.229637 3270.614       141.3089 3172.688       175.6681 3450.157       237.8629 192.6486 5.339800 200.8130 6.936382 -8.164413      8.753676 
1 1 1 -6  5  9  f 482.9008 7.638133 19952.89       629.8644 19560.67       771.3138 20737.98       1091.266 477.8630 9.452046 491.3250 13.00649 -13.46207      16.07824 
1 1 1 -6  5  10 o 502.3260 8.428017 21594.56       722.9579 19528.78       1001.431 23843.05       1044.780 477.0767 12.29224 527.2872 11.60315 -50.21048      16.90361 
1 1 1 -6  5  11 o 150.8664 4.589359 1944.665       118.2351 1943.415       161.4426 1946.111       173.6425 150.7746 6.270296 150.8646 6.740108 -0.9005737E-01 9.205741 
1 1 1 -6  5  12 o 387.3914 6.221842 12829.88       411.5958 12041.87       500.9002 14468.09       722.2209 375.1686 7.818490 410.9294 10.29203 -35.76077      12.92496 
1 1 1 -6  5  13 o 301.8452 3.820470 7783.259       196.9259 7814.647       240.7878 7719.859       342.2148 302.4155 4.662603 300.4567 6.669833 1.958801       8.137969 
1 1 1 -6  5  14 o 378.3318 5.621663 12235.89       363.1948 6296.449       879.3005 13457.67       398.8047 269.0171 19.26820 396.7482 5.886312 -127.7311      20.14726 
1 1 1 -6  5  15 o 161.0557 3.946925 2216.200       108.5518 2082.438       133.2797 2479.776       187.0899 156.0887 5.000238 170.2715 6.434376 -14.18280      8.148839 
1 1 1 -6  5  16 o 57.47309 6.727952 286.5120       64.78172 265.3602       67.28648 554.8535       239.6617 55.19591 7.319211 78.43314 18.23860 -23.23723      19.65241 
1 1 1 -6  5  17 f 107.5528 5.766489 992.5380       105.5237 624.7377       209.6019 1117.411       122.1302 83.69103 15.22705 114.0861 6.293198 -30.39510      16.47626 
1 1 1 -6  5  18 o 112.6897 3.516105 1085.298       67.66248 1041.635       81.03001 1185.870       122.9770 110.3739 4.299101 117.5221 6.149142 -7.148193      7.502947 
1 1 1 -6  5  19 o 277.1321 4.027999 6567.750       190.6243 6478.532       265.9470 6662.019       273.3733 275.0362 5.662435 278.8922 5.740078 -3.855927      8.062982 
1 1 1 -6  5  20 f 167.5048 3.748155 2399.591       107.2128 2307.086       146.3585 2506.712       157.4971 164.1181 5.222273 171.0533 5.391868 -6.935150      7.506289 
1 1 1 -6  5  21 o 338.4245 5.041120 9812.529       291.3338 9670.183       405.6713 9964.131       418.6517 335.4036 7.082793 340.4244 7.201619 -5.020813      10.10095 
1 1 1 -6  5  22 o 94.64758 3.792456 766.6004       61.29597 702.5652       86.17370 832.1801       87.20674 90.31564 5.615203 98.37879 5.209507 -8.063156      7.659600 
1 1 1 -6  5  23 o 181.4473 3.974344 2818.895       123.1453 2902.375       173.1997 2733.551       175.1238 183.8784 5.515874 178.4096 5.748109 5.468857       7.966532 
1 1 1 -6  5  24 o 205.9874 3.805319 3633.115       133.8547 3507.343       188.5753 3760.836       190.0313 202.0882 5.464393 209.2960 5.316945 -7.207855      7.624270 
1 1 1 -6  5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5  26 o 151.2572 4.092671 1960.792       105.7121 1818.615       137.3478 2167.420       165.5775 145.4458 5.529919 158.6629 6.111166 -13.21712      8.241745 
1 1 1 -6  5  27 o 45.76261 8.331372 187.3708       62.70858 155.3106       83.09333 229.7890       95.57819 41.31451 11.40396 50.09961 11.42508 -8.785099      16.14257 
1 1 1 -6  5  28 o 125.1183 4.186598 1344.460       89.45074 1368.110       121.1491 1316.113       132.6346 125.9171 5.634213 123.1776 6.326909 2.739563       8.471962 
1 1 1 -6  5  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5  30 o 42.96122 10.46704 172.8165       76.08318 295.7991       104.6614 34.99376       110.7962 56.15454 11.30558 30.72415 12.78031 25.43039       17.06319 
1 1 1 -6  5  31 o 38.42099 15.79853 89.50042       166.6398 0.000000       0.000000 89.50042       166.6398 ?        ?        38.42099 15.79853 0.000000       15.79853 
1 1 1 -6  5  32 o 39.25450 11.40061 149.1495       80.94810 -21.82183      112.1669 334.9742       116.9379 26.75648 11.96717 58.53651 12.09832 -31.78003      17.01712 
1 1 1 -6  5  33 o 46.66808 9.233171 207.0749       70.97654 195.0077       98.69871 219.9986       102.1418 43.73127 12.55641 46.40099 12.57628 -2.669724      17.77150 
1 1 1 -6  5  34 f 82.78226 5.624100 608.3908       79.03304 566.1718       108.5178 656.0787       115.3324 78.15783 8.255611 84.29279 8.112515 -6.134956      11.57446 
1 1 1 -6  5  35 o 107.6096 4.855000 1020.104       89.21591 970.0592       121.8720 1077.889       130.9581 103.0865 6.963933 108.5435 7.104433 -5.457024      9.948333 
1 1 1 -6  6  1  o 133.9095 3.481300 1531.825       79.60766 1655.903       130.9217 1459.037       100.2749 139.1756 5.508665 130.6678 4.493881 8.507813       7.109174 
1 1 1 -6  6  2  o 267.8358 5.101362 6131.845       233.3226 6804.962       403.0877 5792.673       286.1301 281.8892 8.373734 260.2375 6.438603 21.65167       10.56291 
1 1 1 -6  6  3  o 363.3472 4.994817 11284.53       309.9155 11101.92       439.0023 11465.96       437.5746 360.1932 7.137225 366.0663 6.999877 -5.873108      9.996913 
1 1 1 -6  6  4  o 119.9413 3.252195 1228.864       66.61118 1185.300       96.36595 1268.724       92.17841 117.7652 4.791866 121.8476 4.430066 -4.082413      6.525907 
1 1 1 -6  6  5  o 184.5154 3.545712 2908.417       111.7218 2659.385       155.9256 3171.147       160.1563 176.3886 5.176605 192.6261 4.868855 -16.23750      7.106546 
1 1 1 -6  6  6  o 403.2642 6.074124 13904.36       418.2879 13862.63       591.6230 13946.07       591.4738 402.3785 8.610104 403.5912 8.582066 -1.212738      12.15672 
1 1 1 -6  6  7  o 158.4664 3.317011 2144.917       89.76064 2137.117       127.0148 2152.698       126.8667 158.1478 4.703156 158.7238 4.680624 -0.5760040     6.635354 
1 1 1 -6  6  8  o 352.2614 5.730742 10606.25       344.7290 10497.90       428.2022 10805.81       581.1428 350.3538 7.157151 355.2229 9.580319 -4.869110      11.95857 
1 1 1 -6  6  9  o 524.9293 7.725125 23571.41       692.4816 23115.48       859.8193 24413.08       1168.236 519.5494 9.691219 533.3446 12.82687 -13.79523      16.07633 
1 1 1 -6  6  10 o 248.4522 5.861764 5276.340       248.6985 5296.524       304.1825 5235.645       431.9245 248.8602 7.157755 247.2158 10.23127 1.644379       12.48649 
1 1 1 -6  6  11 o 500.2838 7.466743 21409.72       637.8954 21083.27       781.1141 22063.36       1105.278 496.2138 9.218148 506.9594 12.76722 -10.74567      15.74726 
1 1 1 -6  6  12 o 309.6050 5.450362 8193.006       288.1610 8200.188       398.3867 8185.126       417.3144 309.5929 7.535499 309.2776 7.901561 0.3152466      10.91872 
1 1 1 -6  6  13 o 377.1820 3.833634 12153.95       246.9242 13342.34       302.9788 9803.293       426.1152 395.1509 4.490010 338.4934 7.371823 56.65753       8.631568 
1 1 1 -6  6  14 o 211.1814 3.626782 3809.995       130.7913 3672.680       157.8963 4110.187       233.4601 207.3114 4.460123 219.2242 6.236233 -11.91277      7.667026 
1 1 1 -6  6  15 o 282.9431 7.278250 6853.357       351.6641 6066.083       873.0500 7005.829       384.2113 263.3884 19.55015 286.0106 7.866583 -22.62216      21.07348 
1 1 1 -6  6  16 o 126.9247 3.906591 1376.783       84.67317 1354.634       99.70288 1434.089       160.3710 125.8757 4.638354 129.1863 7.299426 -3.310638      8.648465 
1 1 1 -6  6  17 o 252.7253 4.067375 5460.066       175.5354 5235.157       213.6584 5927.139       307.8992 247.3833 5.057638 263.0187 6.855200 -15.63542      8.519006 
1 1 1 -6  6  18 o 231.6585 4.302576 4589.853       170.2075 4503.454       207.3417 4768.384       298.0515 229.3688 5.293592 235.7327 7.404053 -6.363922      9.101765 
1 1 1 -6  6  19 o 153.9836 4.003702 2028.111       105.2781 1967.223       127.2429 2160.246       187.4461 151.5863 4.915548 158.6412 6.919240 -7.054916      8.487550 
1 1 1 -6  6  20 o 99.15720 4.123517 841.3422       69.82227 819.5609       84.10477 889.6429       125.2435 97.68152 5.059384 101.4739 7.275976 -3.792374      8.862122 
1 1 1 -6  6  21 o 157.6539 3.900429 2126.979       105.0072 2117.107       129.7368 2145.731       178.8035 157.1926 4.833139 158.0112 6.626533 -0.8185730     8.201839 
1 1 1 -6  6  22 o 184.2585 3.687851 2905.507       116.0387 2772.426       158.9110 3057.523       169.8407 179.7899 5.175911 188.7926 5.268109 -9.002747      7.385326 
1 1 1 -6  6  23 o 90.48410 3.683704 700.8420       56.91921 707.1484       74.36185 691.9196       88.45084 90.68201 4.819356 89.55177 5.815458 1.130241       7.552864 
1 1 1 -6  6  24 o 42.11456 14.45107 146.9136       125.3949 4.508337       246.2475 196.7681       145.7006 42.78485 18.46886 47.49321 15.56725 -4.708351      24.15446 
1 1 1 -6  6  25 o 42.07732 6.395277 155.8516       44.50579 133.6818       54.22474 201.6158       77.90741 38.54657 8.469097 47.24788 9.969336 -8.701305      13.08103 
1 1 1 -6  6  26 o 149.1548 3.696072 1905.639       94.14117 1895.776       129.5223 1916.685       137.0695 148.5522 5.105796 149.3198 5.375531 -0.7675934     7.413871 
1 1 1 -6  6  27 o 84.52586 4.079596 612.9840       58.88553 730.1119       79.30003 469.0126       87.91872 91.99191 5.067574 73.24693 7.118876 18.74498       8.738346 
1 1 1 -6  6  28 o 114.7506 4.532143 1133.193       88.80975 1170.954       116.3361 1080.451       137.4895 116.1925 5.882361 111.1370 7.284814 5.055473       9.363262 
1 1 1 -6  6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  6  30 o 48.03933 9.306155 213.0154       73.58546 109.2835       97.70547 348.9671       111.8549 35.74866 12.71965 60.99799 11.14920 -25.24932      16.91432 
1 1 1 -6  6  31 o 37.03334 11.07497 129.7712       75.46273 43.78860       103.6168 226.8869       110.1208 30.21661 12.44523 47.91293 13.08843 -17.69632      18.06075 
1 1 1 -6  6  32 o 66.62980 9.198762 412.6667       101.8734 438.2477       129.9083 371.8102       164.1754 67.05845 11.77394 58.65591 15.96369 8.402538       19.83595 
1 1 1 -6  6  33 o 77.08592 7.734236 543.5665       100.4380 542.9552       194.8234 543.7878       117.2151 69.24834 16.67462 76.07832 9.209983 -6.829971      19.04906 
1 1 1 -6  6  34 o 35.69156 10.83276 127.5279       71.80704 101.5596       87.28207 181.9164       126.3153 32.88046 11.98013 41.05831 14.47813 -8.177845      18.79201 
1 1 1 -6  7  1  o 325.4080 5.050403 9048.245       280.6443 9180.433       464.6866 8972.346       352.1137 327.5605 8.307432 323.9667 6.364739 3.593781       10.46534 
1 1 1 -6  7  2  o 436.6028 6.279039 16295.72       468.1463 15730.72       662.9149 16857.81       661.2062 428.6857 9.055593 443.8178 8.724293 -15.13214      12.57446 
1 1 1 -6  7  3  o 290.1176 4.418940 7190.911       218.9243 7243.014       310.3362 7139.296       308.8804 291.0786 6.243388 288.9861 6.259095 2.092499       8.840597 
1 1 1 -6  7  4  o 378.3567 5.575696 12234.70       360.2487 11982.60       509.8655 12486.01       509.0726 374.2497 7.977968 382.0464 7.803000 -7.796783      11.15952 
1 1 1 -6  7  5  o 364.4036 5.172459 11347.40       321.8709 11737.74       455.4519 10957.95       454.9369 370.4746 7.199165 357.9374 7.442900 12.53723       10.35494 
1 1 1 -6  7  6  o 420.0657 6.143933 15083.87       440.7229 15179.79       623.4939 14988.08       623.0590 421.1561 8.669363 418.4826 8.718662 2.673462       12.29524 
1 1 1 -6  7  7  o 273.2828 4.274762 6380.337       199.4923 6460.184       281.7112 6300.021       282.5400 274.9116 6.000801 271.4775 6.094585 3.434052       8.552986 
1 1 1 -6  7  8  o 531.9146 7.098930 24196.51       644.8173 25401.55       912.3521 22993.80       911.4673 544.6019 9.810281 518.0671 10.30275 26.53479       14.22632 
1 1 1 -6  7  9  o 323.1294 5.674787 8924.574       313.1324 8955.671       389.4111 8867.677       526.7422 323.5985 7.046927 321.7805 9.585979 1.818054       11.89749 
1 1 1 -6  7  10 o 605.1507 8.742647 31350.73       903.4589 31783.05       1122.093 30553.89       1523.375 608.8880 10.79169 595.8922 14.97053 12.99585       18.45474 
1 1 1 -6  7  11 o 93.08543 5.509963 743.2499       87.19559 875.4214       110.3444 523.4925       142.2831 100.9759 6.432769 77.35107 11.08894 23.62479       12.81972 
1 1 1 -6  7  12 f 161.6024 4.099269 2231.295       113.1244 2218.640       135.6811 2260.149       204.8839 161.1195 4.931389 162.5226 7.382311 -1.403061      8.877901 
1 1 1 -6  7  13 o 217.0338 4.272599 4025.090       158.3512 4036.805       160.9368 3669.267       886.9686 217.3468 4.336109 202.7267 26.23644 14.62007       26.59234 
1 1 1 -6  7  14 o 436.2034 9.079754 16315.01       676.3400 13979.34       1475.218 16936.61       761.0347 399.2667 21.71840 444.2284 10.03220 -44.96173      23.92350 
1 1 1 -6  7  15 o 163.5753 4.026797 2286.882       112.4810 2232.208       134.9940 2411.040       203.4283 161.5694 4.892755 167.7793 7.100207 -6.209854      8.622760 
1 1 1 -6  7  16 o 201.5663 4.055683 3473.267       139.5995 3305.546       166.8816 3864.177       254.7720 196.5791 4.971291 212.3478 7.025902 -15.76868      8.606801 
1 1 1 -6  7  17 o 179.1071 3.587252 2742.225       109.7177 2710.772       131.4524 2814.459       199.2078 178.0300 4.323876 181.2167 6.437337 -3.186661      7.754690 
1 1 1 -6  7  18 o 150.5570 3.416859 1937.884       87.84763 1863.632       105.8646 2102.065       157.4205 147.5965 4.200227 156.6090 5.886304 -9.012497      7.231216 
1 1 1 -6  7  19 o 111.4962 3.902918 1063.481       74.31071 971.2551       88.33241 1286.798       137.4528 106.4958 4.857197 122.2498 6.608755 -15.75402      8.201708 
1 1 1 -6  7  20 o 86.03229 4.069481 633.4766       59.78641 591.0865       69.85652 749.5375       115.5894 82.90960 4.956721 93.05138 7.333777 -10.14178      8.851744 
1 1 1 -6  7  21 o 65.46912 4.247465 368.5804       47.22984 405.0284       55.49416 272.8108       89.95479 68.58289 4.768021 55.28708 9.891056 13.29580       10.98030 
1 1 1 -6  7  22 o 130.5949 3.701276 1459.854       82.54286 1403.478       99.13288 1587.295       149.0477 127.9683 4.536423 135.8350 6.425574 -7.866699      7.865566 
1 1 1 -6  7  23 o 45.49410 14.02154 184.4478       119.7178 107.5715       216.1961 218.4457       143.7731 45.49145 18.25400 49.39235 15.38946 -3.900898      23.87560 
1 1 1 -6  7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  7  25 f 98.77387 4.232411 836.4351       71.38910 806.8257       87.55569 895.1608       123.3059 96.75202 5.319781 101.5554 7.155922 -4.803345      8.916686 
1 1 1 -6  7  26 f 44.02981 6.094663 170.2339       44.59576 155.5451       52.66087 207.4766       83.85263 41.72631 7.673294 47.70548 10.57113 -5.979172      13.06247 
1 1 1 -6  7  27 o 16.20797 7.423249 -31.22749      46.32742 8.217379       52.12620 -179.5130      101.0672 20.85822 8.728750 19.25219 9.395760 1.606028       12.82464 
1 1 1 -6  7  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  7  29 o 26.02641 9.440941 51.67759       54.11776 34.41491       61.75313 108.8233       112.3561 24.90340 9.832845 36.73268 13.55986 -11.82928      16.74976 
1 1 1 -6  7  30 o 91.79616 4.976841 732.9675       77.72385 891.2623       103.1288 524.8389       118.2531 100.8353 6.016564 75.84027 9.327440 24.99503       11.09956 
1 1 1 -6  7  31 o 29.48839 9.480330 78.76638       54.18103 85.27784       65.05074 64.01736       97.90269 30.88680 10.40985 31.10239 12.34890 -0.2155895     16.15117 
1 1 1 -6  7  32 o 31.59571 10.12138 93.83890       61.79828 116.6272       79.01721 57.94611       99.16757 34.86192 11.46596 30.25961 12.28488 4.602303       16.80436 
1 1 1 -6  7  33 o 57.33733 8.373696 307.1407       79.57150 264.1100       87.00729 527.1025       196.7161 52.07924 10.14815 67.31022 17.08479 -15.23098      19.87147 
1 1 1 -6  7  34 o 31.34792 10.75118 94.92841       69.40089 70.75175       83.73241 147.9880       124.0445 29.44779 11.50336 37.73362 14.18432 -8.285830      18.26259 
1 1 1 -6  8  1  o 624.3326 8.221891 33352.66       876.5763 33659.37       1254.120 33059.71       1225.701 626.5076 11.72225 620.9388 11.55936 5.568848       16.46298 
1 1 1 -6  8  2  o 417.5307 5.567091 14899.54       396.9343 15606.28       562.9029 14200.56       559.8096 427.1262 7.717478 407.4026 8.046640 19.72360       11.14934 
1 1 1 -6  8  3  o 526.5928 6.820795 23711.61       613.3549 23276.61       877.3307 24127.49       857.8276 521.3233 9.854946 530.8297 9.463306 -9.506409      13.66287 
1 1 1 -6  8  4  o 386.2355 5.595923 12750.02       369.0845 12363.43       528.0524 13119.28       516.0821 380.1234 8.134867 391.6121 7.717219 -11.48865      11.21301 
1 1 1 -6  8  5  o 161.8378 3.208428 2237.058       88.66951 2541.202       112.2588 1732.546       144.5828 172.4770 3.811423 142.3663 5.947132 30.11072       7.063663 
1 1 1 -6  8  6  f 404.0292 5.741011 13953.15       396.0984 13792.46       561.0234 14112.85       559.3160 401.4700 8.183252 406.1191 8.064955 -4.649109      11.48952 
1 1 1 -6  8  7  o 329.1798 4.431574 9258.257       249.1111 9512.863       353.3605 9006.695       351.2418 333.5682 6.203423 324.5633 6.337308 9.004944       8.868141 
1 1 1 -6  8  8  o 597.3532 7.153687 30522.34       729.7314 31507.84       1033.295 29541.78       1030.702 606.4037 9.978389 587.1163 10.28033 19.28741       14.32667 
1 1 1 -6  8  9  o 731.5211 7.704556 45791.11       962.4462 49448.59       1362.202 42145.40       1360.009 759.4582 10.50354 700.8923 11.36289 58.56592       15.47384 
1 1 1 -6  8  10 o 402.1881 5.367303 13826.88       368.6271 14165.18       458.2230 13206.36       620.5927 406.9607 6.593598 392.6195 9.256202 14.34122       11.36454 
1 1 1 -6  8  11 f 177.7323 4.224644 2699.211       128.2207 2788.243       135.9980 1986.897       384.6758 180.6335 4.408921 151.0764 15.11341 29.55717       15.74337 
1 1 1 -6  8  12 o 137.2195 7.480953 1616.798       174.6353 2077.835       392.5551 1503.042       194.9934 154.4420 15.07675 132.1548 8.688858 22.28711       17.40129 
1 1 1 -6  8  13 o 476.4518 7.238722 19440.01       588.9560 19124.08       720.4959 20076.22       1022.447 472.1989 8.935207 482.8057 12.40128 -10.60681      15.28495 
1 1 1 -6  8  14 o 182.3357 3.345630 2840.786       104.1721 2774.588       118.0461 3073.793       221.4689 180.1776 3.836621 189.4417 6.845972 -9.264114      7.847738 
1 1 1 -6  8  15 o 184.8934 3.436728 2921.573       108.5097 2852.363       124.2559 3143.909       222.7098 182.6613 3.983532 191.5409 6.808881 -8.879608      7.888560 
1 1 1 -6  8  16 o 211.5722 3.443840 3826.253       124.4238 3674.417       148.0443 4191.493       229.6112 207.2769 4.182527 221.1792 6.079205 -13.90230      7.379042 
1 1 1 -6  8  17 o 13.43139 5.821029 -3.791700      24.65830 -15.25008      25.90691 106.5577       80.39682 12.44941 5.643465 35.61679 11.55844 -23.16739      12.86259 
1 1 1 -6  8  18 o 139.0034 3.740544 1652.713       88.78963 1458.085       103.8710 2180.786       171.0959 130.4982 4.661094 159.4150 6.285047 -28.91681      7.824807 
1 1 1 -6  8  19 o 126.0435 3.712301 1359.171       79.90350 1279.040       94.81597 1555.527       148.4232 122.2114 4.543264 134.5712 6.458737 -12.35989      7.896615 
1 1 1 -6  8  20 o 31.43884 6.086432 87.76113       31.49531 95.08859       34.30290 48.41539       79.48824 32.71210 6.369837 29.08545 11.25066 3.626650       12.92873 
1 1 1 -6  8  21 o 103.3040 3.806404 913.5609       67.14814 826.8135       79.43330 1130.763       125.6918 98.20706 4.736504 114.4732 6.456205 -16.26610      8.007313 
1 1 1 -6  8  22 o 53.39274 17.57271 251.6787       185.5884 241.7668       205.3096 295.9643       433.9719 53.34377 18.48047 65.48158 25.99914 -12.13781      31.89801 
1 1 1 -6  8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  8  24 o 164.5217 3.873050 2318.816       108.8123 2202.337       132.5398 2559.642       190.5782 160.1857 4.845299 172.3398 6.475687 -12.15404      8.087734 
1 1 1 -6  8  25 o 33.34290 6.708313 99.34279       36.87309 142.6360       41.39032 -67.15466      81.16943 40.21996 6.227651 20.71605 9.608333 19.50391       11.45005 
1 1 1 -6  8  26 o 121.2523 4.353813 1262.846       90.14919 1215.280       108.2272 1370.636       162.9214 118.7692 5.336184 125.3236 7.649410 -6.554405      9.326754 
1 1 1 -6  8  27 o 42.48074 7.797914 162.5476       54.48359 142.2655       63.14165 221.6662       107.8006 39.33930 9.505228 48.46290 12.82592 -9.123604      15.96413 
1 1 1 -6  8  28 o 86.75049 4.774202 651.6747       70.45305 562.9800       83.87605 864.1945       129.8342 80.22846 6.169489 98.87558 7.751595 -18.64712      9.907059 
1 1 1 -6  8  29 o 102.6152 4.443736 909.7151       77.86848 960.4218       94.07822 799.4042       138.7605 105.1972 5.237005 94.29053 8.716431 10.90666       10.16870 
1 1 1 -6  8  30 o 64.14476 5.883536 362.7378       63.72860 385.4432       73.04482 290.3680       130.4077 65.88401 6.580459 53.67018 14.06039 12.21383       15.52408 
1 1 1 -6  8  31 o 30.93926 8.922305 89.85263       49.73723 27.56368       57.05507 287.0275       101.5113 23.14965 9.346191 54.19877 11.33250 -31.04912      14.68934 
1 1 1 -6  8  32 o 77.76015 5.773537 537.0933       76.11847 660.5372       98.16772 350.9734       120.5398 85.67625 6.764779 58.75014 12.40416 26.92611       14.12889 
1 1 1 -6  8  33 o 54.46406 7.481786 274.4818       67.74715 216.5433       82.97808 390.3161       117.3271 46.47770 10.67914 62.21105 11.46654 -15.73335      15.66925 
1 1 1 -6  9  1  o 386.2432 6.377162 12756.42       420.6203 12712.95       708.2917 12780.11       522.7860 385.0633 10.77155 386.4482 7.921926 -1.384857      13.37098 
1 1 1 -6  9  2  o 461.0066 6.041639 18169.95       475.6240 18718.07       673.8892 17625.90       671.3857 467.6180 8.439084 453.7393 8.664906 13.87872       12.09540 
1 1 1 -6  9  3  o 310.0660 6.038646 8219.571       319.7390 8761.416       452.3637 7678.608       451.9952 319.9387 8.279785 299.4652 8.838640 20.47345       12.11100 
1 1 1 -6  9  4  o 429.4496 6.519011 15771.28       478.0748 13911.93       584.0410 19547.12       832.2801 403.1255 8.484011 477.5674 10.20547 -74.44199      13.27140 
1 1 1 -6  9  5  o 265.3784 4.223221 6017.145       191.3865 5831.609       279.1820 6181.641       262.8762 261.1516 6.260265 268.9070 5.724627 -7.755341      8.483058 
1 1 1 -6  9  6  o 13.29668 6.165594 -29.36618      33.39232 64.17310       43.01373 -171.2462      52.97496 27.38720 8.398656 11.49606 5.795705 15.89114       10.20429 
1 1 1 -6  9  7  o 196.5862 3.440737 3301.277       115.5065 3190.627       166.9907 3402.781       159.9391 193.2108 5.061264 199.5452 4.693659 -6.334381      6.902668 
1 1 1 -6  9  8  o 415.4018 5.349858 14751.23       379.5007 15223.07       538.5843 14285.95       534.8254 421.7527 7.478145 408.5410 7.666101 13.21176       10.70942 
1 1 1 -6  9  9  o 203.6894 3.643291 3544.607       126.7256 3699.997       181.7325 3397.532       176.8033 208.0459 5.115303 199.3575 5.193449 8.688461       7.289598 
1 1 1 -6  9  10 o 383.6730 5.392921 12587.07       353.3355 13665.45       440.3218 10636.95       592.1277 399.6457 6.451982 352.1061 9.847816 47.53955       11.77317 
1 1 1 -6  9  11 o 161.6539 5.239577 2234.709       144.6387 1455.919       330.1388 2419.701       160.9029 128.8598 15.30206 168.1932 5.602136 -39.33337      16.29531 
1 1 1 -6  9  12 o 312.2140 4.598669 8334.341       245.1808 8321.046       304.4980 8358.853       413.4528 311.8484 5.717931 312.2794 7.753194 -0.4309998     9.633627 
1 1 1 -6  9  13 o 203.3832 4.693160 3537.632       162.9981 3484.419       196.5830 3654.699       291.5801 201.7690 5.705445 206.3659 8.274048 -4.596832      10.05047 
1 1 1 -6  9  14 o 132.4313 3.828077 1499.359       86.57115 1639.522       103.3410 1169.523       158.5276 138.4563 4.370772 116.4389 8.021626 22.01739       9.135104 
1 1 1 -6  9  15 o 212.4159 5.817644 3865.811       211.0260 3898.771       298.9973 3833.097       297.8776 212.9550 8.222000 211.1469 8.261354 1.808136       11.65553 
1 1 1 -6  9  16 o 275.8687 6.006651 6525.539       282.9676 6250.407       402.3446 6794.818       398.0434 269.3532 8.747301 280.9647 8.296153 -11.61145      12.05576 
1 1 1 -6  9  17 o 152.0254 5.218426 1980.418       135.4745 1846.700       191.6738 2113.901       191.5061 146.2986 7.699308 156.8198 7.151214 -10.52119      10.50805 
1 1 1 -6  9  18 o 104.6282 4.891104 938.0091       87.38915 987.8031       123.7604 888.4933       123.4142 106.9802 6.809916 101.3752 7.175403 5.604965       9.892490 
1 1 1 -6  9  19 o 152.6486 5.356940 1998.944       139.6406 1874.061       198.9793 2120.136       196.0172 147.1819 7.946284 156.8897 7.316405 -9.707840      10.80154 
1 1 1 -6  9  20 f 277.1706 6.300828 6606.649       298.2269 6520.590       422.1478 6692.390       421.3663 274.3366 9.011120 277.9870 8.876328 -3.650391      12.64869 
1 1 1 -6  9  21 o 163.9063 18.07336 2464.510       497.4562 2494.297       643.9591 2420.428       783.3722 160.7238 24.21407 152.8030 31.07975 7.920868       39.39888 
1 1 1 -6  9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  9  23 o 87.22350 4.151847 652.0536       61.84103 629.3706       73.73318 705.8578       113.5589 85.46526 5.074853 90.07764 7.449327 -4.612373      9.013690 
1 1 1 -6  9  24 o 91.73309 4.249871 721.6549       66.57385 683.2645       76.14315 846.2426       137.1692 89.04270 5.028174 98.41749 8.237492 -9.374786      9.650845 
1 1 1 -6  9  25 o 105.7977 4.323088 961.1198       78.10381 903.4451       91.73593 1113.079       148.9054 102.3024 5.269012 112.8951 7.771176 -10.59268      9.389018 
1 1 1 -6  9  26 o 41.97328 6.813429 156.8678       47.16146 177.9328       52.24398 64.13185       109.6174 44.69644 7.080808 33.14912 13.09674 11.54733       14.88834 
1 1 1 -6  9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  9  28 o 45.76424 6.573122 186.6623       49.89432 134.0809       54.46140 461.3123       124.4694 38.13314 8.571907 70.61914 10.65263 -32.48600      13.67319 
1 1 1 -6  9  29 o 70.99818 5.025444 439.8245       60.53525 346.0878       67.87926 804.0571       133.8049 62.48632 6.454351 94.50238 8.378256 -32.01606      10.57610 
1 1 1 -6  9  30 o 31.55811 8.649434 93.29414       47.99825 57.71445       54.82327 210.1002       99.33366 26.53668 9.518755 45.92188 12.38371 -19.38520      15.61931 
1 1 1 -6  9  31 o 64.99496 5.636238 374.7582       61.93695 352.5386       73.49266 429.2243       115.0638 62.38876 7.020149 66.79122 10.42915 -4.402458      12.57178 
1 1 1 -6  9  32 o 51.39538 7.621767 244.5232       64.86608 238.1968       75.31989 262.6874       127.6256 49.88456 9.180088 48.98495 14.34054 0.8996010      17.02719 
1 1 1 -6  9  33 o 39.82944 9.568930 157.2318       64.27055 253.7914       73.04218 -173.9214      135.2665 51.51318 8.607038 22.48517 10.95069 29.02801       13.92834 
1 1 1 -6  10 1  o 275.1595 4.307770 6470.037       202.4133 6333.216       288.6743 6602.366       283.8968 272.1111 6.212408 277.8506 5.983390 -5.739502      8.625252 
1 1 1 -6  10 2  f 280.5088 4.289362 6723.928       205.4666 6054.646       290.2997 7395.742       290.8482 266.0488 6.389742 294.0889 5.791431 -28.04007      8.623774 
1 1 1 -6  10 3  f 533.1356 6.320069 24312.28       575.3888 25352.01       815.1080 23279.59       812.3444 543.9644 8.774911 521.1835 9.127411 22.78088       12.66131 
1 1 1 -6  10 4  f 146.9103 3.305776 1843.712       82.93303 1931.102       122.5979 1769.983       112.6079 150.3110 4.776289 143.9099 4.582223 6.401093       6.618890 
1 1 1 -6  10 5  o 306.7051 4.585777 8039.770       240.1795 7990.783       341.1599 8087.907       338.1897 305.6134 6.537078 307.4741 6.440949 -1.860687      9.177103 
1 1 1 -6  10 6  o 74.71381 4.249804 478.5892       53.99745 530.6162       76.15623 425.9907       76.57333 78.56189 5.715827 70.26733 6.453613 8.294556       8.620893 
1 1 1 -6  10 7  o 208.4760 3.912160 3713.936       139.2755 3756.475       200.7082 3674.429       193.4242 209.5773 5.608140 207.2847 5.464390 2.292664       7.830121 
1 1 1 -6  10 8  o 379.1192 5.252313 12291.56       340.0386 12811.45       425.1653 11368.74       566.4540 386.9013 6.435106 364.0349 9.112126 22.86636       11.15533 
1 1 1 -6  10 9  o 227.3519 6.436567 4424.757       249.8934 3951.452       615.8436 4518.049       273.4143 212.5446 17.11250 229.6850 6.970865 -17.14043      18.47785 
1 1 1 -6  10 10 o 124.5421 3.208455 1325.293       68.23605 1344.471       98.72276 1307.749       94.42159 125.3926 4.610450 123.6738 4.470868 1.718872       6.422220 
1 1 1 -6  10 11 o 94.71793 4.177291 767.0396       67.56611 759.8160       81.00954 783.5496       122.4718 94.10616 5.059569 95.28718 7.589545 -1.181023      9.121428 
1 1 1 -6  10 12 o 273.4641 5.142888 6399.932       240.1647 6323.301       298.2942 6541.144       404.9297 271.6455 6.430435 275.8947 8.594773 -4.249146      10.73409 
1 1 1 -6  10 13 o 139.5120 4.120638 1664.678       98.16985 1647.852       117.7662 1702.998       177.7249 138.7518 4.970271 140.6487 7.425963 -1.896835      8.935800 
1 1 1 -6  10 14 o 302.1008 5.263015 7816.971       271.5116 7524.085       333.1335 8396.450       468.5854 296.1244 6.587828 312.2246 8.788600 -16.10019      10.98358 
1 1 1 -6  10 15 o 141.1355 4.906353 1705.912       118.2488 1771.754       167.8567 1641.046       166.6086 143.6286 6.843778 138.0209 7.092849 5.607697       9.856256 
1 1 1 -6  10 16 o 79.49869 5.731246 544.8484       77.28377 455.4476       109.0169 635.1699       109.5768 72.08165 9.056540 85.58398 7.575911 -13.50233      11.80743 
1 1 1 -6  10 17 o 64.58018 6.412333 361.8331       69.78094 303.3657       98.01941 421.9164       99.36465 58.32362 10.21378 69.39397 8.566965 -11.07035      13.33095 
1 1 1 -6  10 18 o 96.83812 5.463087 807.2934       89.97241 733.2115       127.2278 881.4042       127.2526 91.78886 8.203334 100.8591 7.440932 -9.070282      11.07529 
1 1 1 -6  10 19 o 84.47973 5.690966 615.7398       81.62125 609.6408       129.3438 619.7756       105.2160 83.35628 9.242257 84.46354 7.368543 -1.107262      11.82010 
1 1 1 -6  10 20 o 97.35902 18.92994 890.9521       303.3885 985.0416       377.5186 719.3758       509.7960 100.7937 22.50276 85.31422 29.13992 15.47944       36.81723 
1 1 1 -6  10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  10 22 o 115.6813 5.566617 1150.467       109.9655 1189.139       173.1888 1124.345       142.3397 116.7136 8.753290 113.8414 7.361312 2.872154       11.43718 
1 1 1 -6  10 23 o 194.2074 5.766134 3246.504       191.2284 2941.265       274.1675 3535.680       266.8563 183.8974 8.730485 202.0226 7.735271 -18.12517      11.66430 
1 1 1 -6  10 24 o 82.17454 7.712180 591.7499       106.9561 760.9825       179.0680 497.8889       133.3579 91.89639 11.67428 74.37148 10.81758 17.52491       15.91567 
1 1 1 -6  10 25 o 138.8650 6.034947 1669.713       143.1094 1456.767       221.3325 1822.696       187.5994 127.6938 10.23622 144.2960 7.640561 -16.60211      12.77335 
1 1 1 -6  10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  10 27 o 14.82737 7.468055 -263.5385      86.80966 -349.7671      141.2383 -211.1863      110.0509 20.10411 10.03932 19.39198 9.534005 0.7121296      13.84505 
1 1 1 -6  10 28 o 17.29956 7.570102 -6.914057      42.56199 -7.060946      47.54325 -6.321208      95.51385 18.30247 8.005108 25.87749 11.33157 -7.575024      13.87394 
1 1 1 -6  10 29 o 74.96825 5.062060 491.7178       64.42509 463.8504       76.41965 560.1851       119.7837 72.34944 6.246657 78.01307 9.166120 -5.663628      11.09227 
1 1 1 -6  10 30 o 74.93202 5.366631 495.1584       68.21593 464.4823       82.64183 560.7520       120.8455 71.86857 6.815266 77.40897 9.329928 -5.540398      11.55402 
1 1 1 -6  10 31 o 32.82414 9.234497 103.8042       53.93811 131.1517       63.83928 35.57655       100.8346 36.59271 9.952744 28.45490 12.03634 8.137817       15.61828 
1 1 1 -6  10 32 o 34.13560 10.32315 116.3008       65.29594 107.4712       76.75951 139.4182       124.2023 33.03595 11.30711 37.10412 14.13613 -4.068172      18.10196 
1 1 1 -6  11 1  o 42.76678 5.045783 158.5893       36.14037 107.7309       50.43952 212.2457       51.80837 34.75382 8.556185 49.40008 6.283654 -14.64626      10.61568 
1 1 1 -6  11 2  o 344.3388 4.824290 10138.91       283.6752 9638.080       403.9885 10626.03       398.4240 335.4426 7.052593 352.2817 6.622980 -16.83908      9.674861 
1 1 1 -6  11 3  o 58.35008 4.565881 292.8720       45.13268 277.9647       63.59872 307.9955       64.05825 56.58131 6.713199 59.64350 6.388819 -3.062191      9.267365 
1 1 1 -6  11 4  o 145.3468 2.956904 1804.807       73.39133 1725.896       109.4133 1869.354       98.95496 142.0801 4.509566 147.8913 3.918260 -5.811127      5.974022 
1 1 1 -6  11 5  o 105.6838 3.359206 954.3729       60.62433 917.1945       89.19695 986.2928       82.64853 103.5556 5.043993 107.4041 4.506221 -3.848450      6.763719 
1 1 1 -6  11 6  o 330.5466 4.238323 9340.803       239.2372 9257.491       338.8194 9423.638       337.8477 328.8569 6.033362 331.8047 5.962611 -2.947754      8.482581 
1 1 1 -6  11 7  o 378.3772 8.429229 12288.59       544.6465 12547.08       588.8478 10758.10       1432.816 382.1904 9.022387 346.6830 24.35687 35.50742       25.97423 
1 1 1 -6  11 8  o 321.8018 5.707661 8864.929       313.6523 8745.816       540.2276 8925.497       385.2304 318.7983 9.923362 322.6902 6.990896 -3.891876      12.13861 
1 1 1 -6  11 9  o 284.1198 4.333891 6903.722       210.2720 6604.788       298.9777 7196.309       295.7870 277.6479 6.305834 289.8652 5.975592 -12.21735      8.687418 
1 1 1 -6  11 10 o 156.1327 3.541540 2083.911       94.42522 2129.194       135.6253 2041.314       131.5431 157.7236 5.035492 154.4379 4.987839 3.285721       7.087645 
1 1 1 -6  11 11 o 220.8651 3.658132 4170.983       137.9712 4661.174       197.6485 3705.092       192.6875 233.3453 4.960124 207.9891 5.425140 25.35623       7.350849 
1 1 1 -6  11 12 o 78.36967 3.739048 525.2578       50.03927 519.8460       59.49891 538.3351       92.49110 77.80769 4.497180 78.88421 6.936572 -1.076523      8.266842 
1 1 1 -6  11 13 o 92.09063 3.732189 725.3775       58.69229 679.3883       70.03796 833.8467       107.5620 88.96236 4.626220 98.35886 6.439432 -9.396500      7.928946 
1 1 1 -6  11 14 o 187.1632 5.590826 3003.717       178.6892 2936.516       253.0115 3070.593       252.3990 184.6431 8.024268 188.8513 7.826468 -4.208221      11.20904 
1 1 1 -6  11 15 o 193.2744 4.898809 3201.092       161.6839 3195.049       229.0582 3207.092       228.2551 192.7364 6.959532 193.1069 6.921826 -0.3704987     9.815639 
1 1 1 -6  11 16 o 153.1410 4.657245 2009.536       121.7930 1971.146       172.6154 2047.596       171.8697 151.3884 6.677056 154.3219 6.521833 -2.933517      9.333670 
1 1 1 -6  11 17 o 246.1571 5.415405 5200.536       227.6382 4887.740       322.1901 5512.320       321.6685 237.9367 7.929555 252.8457 7.449912 -14.90898      10.88021 
1 1 1 -6  11 18 o 68.41154 6.413851 406.2002       74.05432 327.1865       121.2034 453.2677       93.54585 60.02824 12.23880 72.05202 7.723234 -12.02378      14.47192 
1 1 1 -6  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  11 21 o 67.52281 7.348549 398.5294       83.36520 436.9750       121.5848 364.4194       114.5242 69.95353 10.50248 63.64516 10.93114 6.308369       15.15889 
1 1 1 -6  11 22 o 195.0060 5.913448 3275.610       196.9203 2968.099       278.7458 3581.983       278.2298 184.6298 8.841064 203.1759 8.019172 -18.54605      11.93614 
1 1 1 -6  11 23 f 162.7125 5.680418 2283.259       157.8350 2314.494       230.4124 2255.644       216.6477 162.6989 8.320983 160.9870 7.880637 1.711945       11.46051 
1 1 1 -6  11 24 o 42.74078 11.62065 169.7727       87.04774 80.66543       135.5421 232.3233       113.5621 36.66515 14.53875 49.59872 13.18221 -12.93357      19.62513 
1 1 1 -6  11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  11 26 o 80.54346 7.642331 576.4243       103.8548 478.2518       147.4461 673.0850       146.3063 70.96117 12.63072 85.86021 10.17667 -14.89904      16.22035 
1 1 1 -6  11 27 o 124.3166 5.766877 1348.333       122.4255 1306.778       180.9237 1383.431       166.2740 120.3754 8.863838 124.5768 7.856253 -4.201401      11.84434 
1 1 1 -6  11 28 o 24.80607 10.49735 15.36301       76.74932 6.396621       121.9693 21.24058       98.75082 29.41569 12.84493 27.89078 11.85977 1.524908       17.48274 
1 1 1 -6  11 29 f 42.99413 11.72300 184.7584       88.43913 -105.9729      156.4692 321.2405       107.2065 27.46888 12.93358 57.17898 11.37971 -29.71010      17.22717 
1 1 1 -6  11 30 o 34.80805 12.12716 116.5830       88.46992 220.2379       127.0469 19.00062       123.2693 45.15161 14.51729 29.49510 12.89550 15.65651       19.41766 
1 1 1 -6  11 31 o 58.45964 9.106860 327.3522       87.95212 374.1535       137.8685 295.2346       114.2110 58.49185 13.99100 52.73885 12.80902 5.752998       18.96889 
1 1 1 -6  12 1  o 241.1446 3.856849 4971.932       158.8225 5079.886       229.1958 4872.208       220.2869 243.5740 5.510283 238.5555 5.407511 5.018539       7.720388 
1 1 1 -6  12 2  o 229.6165 4.134453 4508.774       162.1150 4404.100       232.9896 4607.013       225.7138 226.7372 6.017443 231.9412 5.698732 -5.204056      8.287652 
1 1 1 -6  12 3  o 76.40067 4.208778 500.7087       54.69865 410.3776       79.26392 582.8357       75.57875 68.84556 6.832377 82.33389 5.405528 -13.48833      8.712125 
1 1 1 -6  12 4  o 56.74645 4.260299 276.9596       40.98258 276.3651       57.57915 277.5700       58.34468 56.47402 6.065587 56.58833 6.136021 -0.1143112     8.627983 
1 1 1 -6  12 5  o 95.67647 4.857278 785.3684       79.09937 861.7176       129.1374 739.5234       100.0682 99.89617 7.627750 92.67020 6.361983 7.225967       9.932643 
1 1 1 -6  12 6  o 158.7810 4.831141 2157.637       130.9936 2033.410       177.5148 2306.162       194.1002 153.9721 6.751351 163.9536 6.932714 -9.981491      9.676944 
1 1 1 -6  12 7  o 317.4268 4.463356 8621.122       241.9397 8625.030       344.4898 8617.317       339.8657 317.1588 6.360594 317.0343 6.277680 0.1245117      8.936802 
1 1 1 -6  12 8  o 88.27755 3.517284 666.2971       53.02243 648.6673       75.24856 683.6822       74.72427 86.88858 5.093727 89.22836 4.923121 -2.339775      7.084008 
1 1 1 -6  12 9  o 219.4771 3.971323 4120.542       148.8423 4271.001       213.9059 3979.311       207.2419 223.2427 5.611043 215.4816 5.632034 7.761017       7.950070 
1 1 1 -6  12 10 o 62.69040 3.741101 337.3394       39.86745 355.8113       58.59536 321.4177       54.40024 64.21395 5.393533 61.02444 5.272067 3.189510       7.542207 
1 1 1 -6  12 11 o 152.6873 3.139254 1993.160       81.85235 2093.830       117.0743 1896.899       114.4826 156.3992 4.383540 148.8522 4.503833 7.546967       6.284897 
1 1 1 -6  12 12 o 146.9803 3.324600 1847.445       83.44500 1912.001       118.5700 1784.097       117.4560 149.4145 4.647081 144.3190 4.765953 5.095535       6.656551 
1 1 1 -6  12 13 o 73.54929 4.235792 464.6805       52.97548 484.5517       63.38189 418.6252       96.49232 75.02692 4.975275 69.16850 8.337292 5.858429       9.708954 
1 1 1 -6  12 14 f 72.71861 3.886298 453.9106       48.08485 421.9516       54.76505 561.4622       100.4651 70.02634 4.605423 80.39868 7.400608 -10.37234      8.716589 
1 1 1 -6  12 15 o 28.51221 10.72940 52.81057       71.01286 -25.76964      97.90134 140.0584       103.1595 25.81386 11.38267 40.40522 13.09100 -14.59135      17.34760 
1 1 1 -6  12 16 o 61.09088 7.477026 326.6473       76.37412 178.9668       115.5974 441.0497       101.7429 44.86732 13.76982 70.88830 8.579458 -26.02097      16.22390 
1 1 1 -6  12 17 o 122.2086 18.10447 1381.236       366.3944 1256.863       476.7037 1560.765       572.7330 112.5247 25.40943 124.2049 27.70733 -11.68027      37.59435 
1 1 1 -6  12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  12 19 o 60.10755 8.729101 319.7246       86.97868 133.6155       138.3742 441.2887       111.8340 41.69198 15.10054 70.60741 9.517661 -28.91542      17.84971 
1 1 1 -6  12 20 o 70.93939 8.065201 441.5233       95.96551 336.3367       123.9314 599.0455       151.6605 60.67482 12.38032 81.90612 11.13149 -21.23130      16.64879 
1 1 1 -6  12 21 o 100.6867 6.559436 879.2968       112.1664 933.8258       169.1070 836.4614       149.8819 102.8354 9.746148 97.48820 9.108706 5.347214       13.34001 
1 1 1 -6  12 22 o 143.5339 5.949658 1779.827       145.8305 1969.482       225.6087 1643.716       191.1254 149.6850 8.865741 136.9886 8.208012 12.69641       12.08192 
1 1 1 -6  12 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  12 24 o 46.63138 11.52141 204.7207       91.21236 96.87453       143.5460 277.7521       118.1255 38.08308 15.00586 53.91357 12.98512 -15.83048      19.84412 
1 1 1 -6  12 25 o 70.21931 7.839141 440.4551       92.39554 288.7739       141.1765 554.1033       122.2018 53.90524 14.85857 78.17521 9.338767 -24.26997      17.54963 
1 1 1 -6  12 26 o 75.70825 7.960607 514.7783       101.3764 346.6279       143.9947 680.0323       142.7492 58.73708 14.45420 86.03963 9.895902 -27.30255      17.51721 
1 1 1 -6  12 27 o 70.73100 8.207921 454.7300       97.29610 558.7034       165.3203 399.6331       120.3453 75.07063 13.38690 64.54923 11.33117 10.52140       17.53866 
1 1 1 -6  12 28 f 40.75464 11.86172 165.8437       87.54457 229.0929       155.7470 136.6299       105.8487 46.15968 16.09008 37.63457 13.25527 8.525116       20.84689 
1 1 1 -6  12 29 f 45.95967 11.74045 214.3240       92.47681 352.9231       132.2662 81.77609       129.3466 57.87717 13.61103 33.85994 13.92049 24.01724       19.46895 
1 1 1 -6  12 30 o 50.73316 10.38703 255.4465       86.95905 262.1224       135.5778 250.7806       113.3445 48.00753 14.94220 48.16063 13.32928 -0.1530991     20.02346 
1 1 1 -6  13 1  o 43.77756 6.196884 167.6212       45.03213 165.1345       67.89787 169.5739       60.17018 42.91647 9.514364 43.66219 8.374676 -0.7457161     12.67511 
1 1 1 -6  13 2  o 63.36342 4.751073 345.6649       51.03392 328.5996       77.22157 358.8979       68.00039 61.37592 7.525476 64.37997 6.264623 -3.004044      9.791746 
1 1 1 -6  13 3  f 218.5566 4.121365 4086.939       153.8179 4025.809       220.8204 4144.559       214.3852 216.6705 5.968117 219.8832 5.709536 -3.212677      8.259372 
1 1 1 -6  13 4  o 98.36825 6.761746 834.7058       112.8938 939.6575       130.6069 524.5831       224.5113 104.3001 7.380622 75.49889 17.71833 28.80124       19.19408 
1 1 1 -6  13 5  o 43.40565 5.553448 164.0956       40.21959 156.9277       65.21442 168.4954       51.09353 41.83175 9.362827 43.73817 7.082927 -1.906422      11.74012 
1 1 1 -6  13 6  o 227.6821 3.582680 4433.500       139.2961 4323.723       199.6953 4537.533       194.4002 224.6398 5.205698 230.1660 4.945993 -5.526169      7.180678 
1 1 1 -6  13 7  o 52.89356 4.452127 241.1911       39.83955 274.7478       57.66959 210.5565       55.10138 56.26213 6.100171 49.05903 6.756444 7.203102       9.102836 
1 1 1 -6  13 8  o 257.0224 4.420689 5655.731       194.0273 5238.635       274.9408 6069.538       273.8545 246.9720 6.519131 265.9501 6.030007 -18.97812      8.880319 
1 1 1 -6  13 9  o 59.66113 4.294489 306.3043       43.46006 278.7364       61.02234 334.6810       61.91090 56.60773 6.426536 62.17393 5.901930 -5.566200      8.725430 
1 1 1 -6  13 10 o 309.3794 4.650477 8199.674       245.6919 8207.264       348.6420 8192.187       346.2916 309.0014 6.607197 308.7295 6.568435 0.2719116      9.316619 
1 1 1 -6  13 11 o 242.0098 4.068501 5014.139       168.1393 5114.894       236.4665 4911.105       239.1256 244.1224 5.672312 239.1694 5.854889 4.953003       8.151984 
1 1 1 -6  13 12 o 84.79263 3.816497 615.4115       55.26179 611.3549       81.82817 618.8129       74.93052 84.19098 5.725632 84.77940 5.200794 -0.5884171     7.735058 
1 1 1 -6  13 13 o 134.3765 3.476769 1545.124       79.78131 1510.882       95.36749 1624.964       145.6223 132.8125 4.204938 137.4789 6.202830 -4.666489      7.493772 
1 1 1 -6  13 14 o 109.6803 3.897730 1030.103       73.00326 998.4457       88.37670 1098.106       129.5298 107.9020 4.796300 112.7205 6.760445 -4.818520      8.289036 
1 1 1 -6  13 15 o 44.03344 17.80939 92.42596       207.5686 106.2216       236.4740 46.11737       433.2551 46.83979 18.98640 56.52048 24.44771 -9.680687      30.95438 
1 1 1 -6  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  13 17 o 134.5631 5.319435 1555.307       122.2344 1426.287       180.0971 1665.503       166.4406 128.0651 8.279511 138.7643 7.047052 -10.69917      10.87250 
1 1 1 -6  13 18 o 76.11151 6.702618 503.4240       86.22686 653.7183       146.9987 424.5836       106.4674 85.92317 10.21887 69.27486 9.229577 16.64831       13.76991 
1 1 1 -6  13 19 o 186.8682 5.902775 3007.888       188.3621 2792.523       266.7273 3222.149       266.0425 179.1295 8.719641 192.6714 8.085963 -13.54196      11.89180 
1 1 1 -6  13 20 o 87.06986 7.104549 661.3052       104.7139 758.0612       159.4047 587.8586       138.8828 92.24636 10.29488 81.11931 10.25496 11.12705       14.53096 
1 1 1 -6  13 21 o 167.6588 5.842438 2430.452       167.2716 2620.165       253.8645 2284.893       222.3679 172.8226 8.602002 161.6530 8.055384 11.16954       11.78489 
1 1 1 -6  13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  13 23 o 84.37047 7.053100 627.0106       100.6864 651.4088       153.4041 608.5455       133.4551 84.28101 10.91512 82.00428 9.719234 2.276733       14.61518 
1 1 1 -6  13 24 o 27.64842 11.43492 29.69446       87.96832 74.66344       124.6606 -14.90900      124.1529 34.64250 13.87511 28.91930 12.78172 5.723204       18.86507 
1 1 1 -6  13 25 o 77.95643 7.234405 541.4962       95.20911 605.9570       145.6842 493.4398       125.7883 80.50717 10.87515 72.80342 10.41456 7.703751       15.05762 
1 1 1 -6  13 26 o 66.87094 8.095125 406.9904       90.55775 413.4142       140.4440 402.4190       118.4761 64.32118 13.22802 64.81927 11.10286 -0.4980927     17.27003 
1 1 1 -6  13 27 o 24.38441 10.45023 11.73742       77.76506 -29.75778      124.3532 38.38673       99.65543 27.29296 12.36893 28.80593 12.06314 -1.512968      17.27744 
1 1 1 -6  13 28 o 53.62113 9.894320 277.5798       87.26134 203.6780       135.8797 329.4502       113.8378 43.48379 15.03610 57.01998 12.06746 -13.53619      19.27973 
1 1 1 -6  13 29 o 86.15420 8.000257 689.0228       116.3579 446.0357       179.4665 865.2413       152.8332 60.99835 16.72776 95.06004 9.543798 -34.06170      19.25882 
1 1 1 -6  14 1  f 320.6013 5.790682 8820.760       317.0275 9125.451       546.2637 8666.016       389.2952 324.5371 9.856803 317.3442 7.183673 7.192871       12.19679 
1 1 1 -6  14 2  o 132.1869 10.27801 1524.457       230.1819 1654.531       314.8682 1375.150       337.3456 136.6590 13.67597 123.4733 16.40540 13.18571       21.35812 
1 1 1 -6  14 3  o 87.37468 4.277734 653.6564       63.82654 741.8932       103.4618 599.4432       81.09753 92.68142 6.579866 83.38724 5.729936 9.294182       8.725067 
1 1 1 -6  14 4  o 220.9938 4.381554 4182.250       165.3522 3812.726       234.5016 4547.655       233.1906 210.6297 6.519651 230.1641 5.932963 -19.53442      8.815095 
1 1 1 -6  14 5  f 180.1902 3.907760 2778.861       120.2433 2505.147       171.7692 3041.883       168.3810 170.8285 5.888206 188.3474 5.235177 -17.51891      7.878962 
1 1 1 -6  14 6  o 41.47015 6.032246 150.7317       41.46638 150.9414       60.73283 150.5486       56.75383 41.00968 8.925751 41.03259 8.382863 -0.2291489E-01 12.24506 
1 1 1 -6  14 7  o 234.2306 3.870899 4696.030       154.8308 4435.189       220.0621 4951.727       217.8819 227.3120 5.669188 240.2620 5.310486 -12.94994      7.767943 
1 1 1 -6  14 8  o 121.2100 3.515000 1257.052       72.75550 1231.731       107.1996 1278.676       99.06484 119.8310 5.238682 122.1433 4.749501 -2.312309      7.071177 
1 1 1 -6  14 9  o 107.5571 3.291831 989.6299       60.46141 967.4650       89.06865 1008.572       82.33812 106.2226 4.910275 108.4971 4.444072 -2.274422      6.622732 
1 1 1 -6  14 10 o 53.80820 4.539312 249.8809       41.32059 256.2736       59.90309 244.0782       57.07192 54.17910 6.611800 52.88356 6.453628 1.295540       9.239329 
1 1 1 -6  14 11 o 125.0054 3.490492 1337.293       74.51049 1342.115       107.8826 1332.894       103.0321 125.0739 5.051064 124.6679 4.839674 0.4059525      6.995405 
1 1 1 -6  14 12 o 166.7589 11.46010 2445.885       324.3657 2487.491       441.9577 2397.308       477.5520 166.0528 15.77540 161.9832 17.54469 4.069550       23.59406 
1 1 1 -6  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  14 15 o 39.97927 9.902967 144.7441       67.25788 122.5800       109.9828 157.9841       85.00522 38.89765 13.52319 41.76975 11.53637 -2.872101      17.77539 
1 1 1 -6  14 16 o 123.4108 5.403706 1309.062       113.8798 1083.412       169.4108 1495.082       153.8169 111.2808 8.991768 131.4455 6.876513 -20.16468      11.31982 
1 1 1 -6  14 17 o 168.2618 5.523027 2435.945       158.6955 2082.981       223.1453 2797.152       225.7357 154.5748 8.486182 179.7771 7.352991 -25.20233      11.22861 
1 1 1 -6  14 18 o 55.66752 10.85857 282.2726       99.51604 393.6261       173.7122 227.8746       121.4143 64.35612 15.89937 49.51788 13.82803 14.83824       21.07141 
1 1 1 -6  14 19 o 100.8081 6.489773 884.0303       111.1253 1016.201       168.1870 781.6238       148.0430 107.1141 9.286736 93.81696 9.365870 13.29710       13.18950 
1 1 1 -6  14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  14 22 o 65.81338 8.379916 389.4418       92.04293 380.0508       142.4153 396.1783       120.6197 62.57262 13.70728 65.14771 11.24883 -2.575096      17.73205 
1 1 1 -6  14 23 o 95.94875 6.880796 813.3715       111.9919 486.4586       158.6350 1138.194       158.1271 70.56670 13.65796 112.7771 8.268399 -42.21035      15.96579 
1 1 1 -6  14 24 o 125.8015 6.111259 1387.759       131.2860 1200.584       205.4646 1516.909       170.6718 113.5761 10.72053 130.3237 7.703180 -16.74769      13.20109 
1 1 1 -6  14 25 o 75.23395 8.653422 519.7919       109.1493 649.5784       169.0628 427.0298       142.9284 81.27359 12.58842 65.12118 13.30228 16.15241       18.31445 
1 1 1 -6  14 26 o 37.79394 12.12417 141.8481       88.65097 -129.1058      157.4665 267.5766       107.2648 26.66891 12.68003 51.27835 12.38826 -24.60944      17.72716 
1 1 1 -6  14 27 f 20.68224 9.685705 -64.35126      85.73592 -181.1852      123.0689 45.81833       119.5073 21.26262 10.37499 30.72065 13.05455 -9.458027      16.67518 
1 1 1 -6  14 28 o 37.16695 11.73294 142.3246       83.27818 52.35868       131.4736 202.6082       107.6214 31.46951 13.53988 43.16905 13.29255 -11.69954      18.97420 
1 1 1 -6  15 1  o 104.0326 4.152655 926.9496       73.77297 856.3364       122.9605 966.6639       92.21389 99.41251 7.293981 106.1557 5.086874 -6.743217      8.892606 
1 1 1 -6  15 2  o 70.39125 5.446754 427.8328       64.96281 451.7264       137.3852 420.9519       73.72570 70.99010 11.74346 69.69428 6.261512 1.295822       13.30847 
1 1 1 -6  15 3  o 37.08926 8.997434 123.8686       56.40342 112.8987       70.59263 143.2359       93.79736 35.77873 10.71433 40.33976 12.40753 -4.561031      16.39340 
1 1 1 -6  15 4  o 310.1018 6.228787 8268.786       329.8449 7620.407       465.0081 8925.391       467.9481 296.4755 9.184802 321.1922 8.531605 -24.71671      12.53590 
1 1 1 -6  15 5  o 63.97204 4.912000 353.0186       53.25033 375.3743       75.86022 331.3029       74.76638 65.67151 6.866007 61.58116 7.248567 4.090351       9.984177 
1 1 1 -6  15 6  o 138.9386 11.21802 1697.199       263.8894 1671.691       344.5277 1733.406       410.4637 136.3415 15.04846 137.4724 17.90998 -1.130936      23.39281 
1 1 1 -6  15 7  o 43.07877 14.08609 159.7426       119.3207 165.2517       137.8541 143.2864       238.2557 44.46004 15.15320 48.99395 19.32374 -4.533913      24.55660 
1 1 1 -6  15 8  o 197.6273 17.20413 3548.124       574.8139 3548.124       574.8139 0.000000       0.000000 197.6273 17.20413 ?        ?        0.000000       17.20413 
1 1 1 -6  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  15 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  15 12 o 89.81933 3.780843 690.9291       57.99097 724.4375       85.73215 662.6658       78.73689 91.65430 5.503068 87.67994 5.283348 3.974358       7.628730 
1 1 1 -6  15 13 o 143.3120 3.588467 1758.679       87.82004 1940.992       129.0256 1601.317       119.8716 150.3497 5.025408 136.5440 5.140929 13.80571       7.189150 
1 1 1 -6  15 14 o 54.08115 6.432792 255.6180       58.24294 244.5126       75.76965 271.6569       91.05750 52.36501 8.784382 54.94193 10.07667 -2.576912      13.36804 
1 1 1 -6  15 15 o 76.89581 7.393636 516.7249       95.89050 585.5099       160.9700 478.8890       119.3850 80.47144 12.08747 73.36811 9.771851 7.103333       15.54336 
1 1 1 -6  15 16 o 194.5623 5.800054 3265.391       192.7049 3249.228       279.3745 3280.062       266.1573 192.9664 8.478191 194.0948 8.030131 -1.128372      11.67745 
1 1 1 -6  15 17 f 120.7857 6.332453 1266.896       130.1589 1077.463       185.0882 1452.227       183.0734 109.9915 9.962220 128.5513 8.385562 -18.55977      13.02165 
1 1 1 -6  15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  15 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  15 20 o 18.06140 8.864758 -178.3351      93.88048 -16.73340      150.8819 -280.4210      119.9215 31.81445 14.07448 19.00042 9.449620 12.81402       16.95247 
1 1 1 -6  15 21 o 96.78637 6.490284 823.5419       106.6492 708.7491       160.8573 913.5812       142.4621 87.42879 11.01893 101.0452 8.330488 -13.61636      13.81354 
1 1 1 -6  15 22 o 35.30450 12.27141 111.1447       90.56177 22.15588       128.6103 198.6637       127.5437 31.25045 13.41720 44.90116 14.55708 -13.65071      19.79721 
1 1 1 -6  15 23 o 75.55506 7.918857 516.3952       100.6526 594.9330       170.2441 474.1897       124.8007 77.48969 13.34718 70.82423 10.64843 6.665459       17.07444 
1 1 1 -6  15 24 o 88.84899 7.131701 710.0160       107.2932 800.1639       177.5090 658.1215       134.6801 90.66100 11.74144 83.85829 9.576682 6.802711       15.15170 
1 1 1 -6  15 25 o 24.69499 10.69935 8.140371       83.25658 141.6398       152.5932 -48.44690      99.34698 39.09226 15.44987 23.36297 10.76284 15.72928       18.82916 
1 1 1 -6  15 26 o 85.73560 7.424525 672.0398       107.6275 469.1068       178.9919 786.9643       134.6986 63.67082 16.37105 91.72002 8.704238 -28.04920      18.54117 
1 1 1 -6  15 27 f 22.78398 10.28388 -18.49847      84.96477 289.0285       155.5349 -149.3037      101.4376 48.88962 16.08691 19.31547 9.423625 29.57415       18.64386 
1 1 1 -6  16 1  o 216.2168 4.149332 4005.067       153.2038 3822.216       225.7129 4161.274       208.6209 210.7701 6.271125 220.1018 5.550502 -9.331741      8.374669 
1 1 1 -6  16 2  o 88.36489 7.425444 678.4685       111.0092 600.1385       219.8091 705.2866       128.6162 80.40967 16.55940 89.87491 8.480470 -9.465240      18.60462 
1 1 1 -6  16 3  o 75.97753 7.939024 504.1794       101.4827 311.8802       181.2464 591.9980       122.4824 58.14817 17.10857 82.18103 8.868254 -24.03286      19.27042 
1 1 1 -6  16 4  o 198.9462 3.997001 3390.110       135.7912 3578.348       198.2637 3223.790       186.3638 204.0652 5.689477 193.7036 5.634067 10.36154       8.007051 
1 1 1 -6  16 5  o 40.84712 7.590658 148.5953       50.99817 -1.409188      79.61573 252.9692       66.41138 24.71274 10.58193 53.63782 7.451839 -28.92508      12.94246 
1 1 1 -6  16 6  o 154.4520 5.122525 2047.795       135.1075 2175.016       194.4203 1928.978       187.8887 158.7708 7.170827 149.4795 7.360668 9.291275       10.27620 
1 1 1 -6  16 7  o 106.7835 3.928305 976.7594       71.63271 931.9136       108.5231 1011.384       95.35702 103.8832 6.144848 108.5342 5.144987 -4.651009      8.014365 
1 1 1 -6  16 8  o 68.81955 4.560408 407.9671       53.29045 440.5026       83.89944 385.9639       68.99584 71.11826 6.999049 66.68859 6.127085 4.429672       9.302035 
1 1 1 -6  16 9  o 69.15105 4.688791 412.1391       55.04113 355.0309       76.79513 472.4643       78.92854 63.73063 7.181593 73.79708 6.324252 -10.06646      9.569297 
1 1 1 -6  16 10 o 62.22170 4.873044 334.3706       51.36411 377.3672       72.61794 291.3221       72.66173 65.84214 6.545347 57.55782 7.576774 8.284317       10.01245 
1 1 1 -6  16 11 o 175.1774 3.819077 2629.603       114.2453 2399.459       168.3123 2826.227       155.5731 166.9199 5.904811 181.3711 5.023015 -14.45123      7.752256 
1 1 1 -6  16 12 o 69.33177 4.267238 413.9981       50.27669 528.0683       81.42550 343.7118       63.91605 78.00497 6.162939 62.85692 6.028585 15.14805       8.621233 
1 1 1 -6  16 13 o 65.87734 4.874516 375.2007       54.44717 451.1464       87.55825 327.3184       69.52375 71.77695 7.242510 61.13531 6.773285 10.64163       9.916217 
1 1 1 -6  16 14 o 131.3416 3.930562 1480.702       88.15739 1516.465       125.1878 1445.520       124.1652 132.5771 5.529572 129.4171 5.618319 3.160034       7.882999 
1 1 1 -6  16 15 o 68.83684 5.757331 412.5686       67.05606 262.6608       80.21593 760.3682       122.1836 53.95253 9.025372 92.97818 7.766482 -39.02565      11.90695 
1 1 1 -6  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  16 17 f 18.68219 9.077166 -149.0996      91.46605 -123.8402      132.0017 -172.4284      126.8568 25.19064 11.86651 22.86064 11.00486 2.330002       16.18397 
1 1 1 -6  16 18 o 113.6278 6.375216 1129.779       123.2036 1136.840       198.0080 1125.318       157.3791 111.7191 10.50222 112.4938 8.250037 -0.7747040     13.35514 
1 1 1 -6  16 19 o 89.62380 6.740582 708.2169       102.4072 617.4001       156.2146 776.6584       135.6121 81.19741 11.59556 92.95995 8.641737 -11.76254      14.46155 
1 1 1 -6  16 20 o 72.75679 8.985893 482.4150       109.2722 413.9058       169.7843 530.8583       142.7710 63.42116 15.74890 74.93490 11.52651 -11.51374      19.51636 
1 1 1 -6  16 21 o 71.39268 7.739094 459.7490       92.84013 589.6559       143.6113 366.4784       121.6872 79.00742 10.93772 61.39647 12.03670 17.61096       16.26394 
1 1 1 -6  16 22 o 109.2678 6.092320 1056.208       113.2257 1170.013       170.3775 966.1938       151.5259 112.8379 8.914701 102.6394 8.727955 10.19856       12.47594 
1 1 1 -6  16 23 o 58.09355 10.95805 330.3327       104.7222 356.2206       164.8681 312.8235       135.5878 56.22237 16.25341 54.05002 14.42236 2.172348       21.72965 
1 1 1 -6  16 24 o 68.67099 8.606894 440.4252       98.71318 519.7809       169.2762 399.5336       121.5133 69.42598 14.73409 63.18988 11.69154 6.236103       18.80919 
1 1 1 -6  16 25 o 23.75045 10.50893 -3.051662      84.15529 -66.68269      155.4854 23.31155       100.0816 28.00119 13.09104 27.22712 11.76359 0.7740726      17.59993 
1 1 1 -6  17 1  o 149.3676 3.990791 1912.455       101.7929 1936.089       155.7809 1894.844       134.4721 149.8986 6.085757 148.4553 5.304376 1.443298       8.072970 
1 1 1 -6  17 2  o 42.05013 7.691441 157.7762       53.19495 106.8918       90.62232 184.5264       65.70605 35.97543 12.28593 45.32022 8.807378 -9.344788      15.11668 
1 1 1 -6  17 3  o 102.8367 4.255281 906.9869       74.72715 1053.373       114.2948 797.6908       98.75944 110.4063 6.085711 96.03889 6.052811 14.36739       8.583262 
1 1 1 -6  17 4  o 131.9679 3.830341 1492.430       86.31923 1479.200       127.0470 1503.774       117.6424 131.0964 5.675077 132.2640 5.208591 -1.167557      7.702981 
1 1 1 -6  17 5  o 231.0952 4.950473 4588.391       195.3618 3852.096       347.3633 4929.036       236.2705 209.9045 9.690813 239.2491 5.783054 -29.34460      11.28519 
1 1 1 -6  17 6  o 46.64635 8.417336 194.7543       64.58226 220.7083       79.71587 145.1834       110.1683 49.40563 9.794640 40.95555 13.54204 8.450077       16.71292 
1 1 1 -6  17 7  o 87.32642 4.247026 654.3513       63.33335 629.7051       92.61468 676.0005       86.80146 85.16448 6.415355 88.38985 5.782599 -3.225372      8.636853 
1 1 1 -6  17 8  o 110.4723 5.056068 1049.760       95.38242 1022.961       138.7266 1073.788       131.3571 108.3151 7.547292 111.1570 6.955129 -2.841911      10.26331 
1 1 1 -6  17 9  o 122.0603 3.814439 1277.865       79.50728 1197.240       116.4561 1348.254       108.8132 117.8010 5.789100 125.1564 5.091273 -7.355408      7.709393 
1 1 1 -6  17 10 o 67.48547 4.976398 394.1895       56.94459 418.4931       83.17222 372.7446       78.12788 69.06380 7.156065 65.14420 7.140082 3.919601       10.10891 
1 1 1 -6  17 11 o 51.18438 7.023386 231.7690       59.76987 94.61633       105.1409 297.2539       72.65076 35.43957 13.11032 57.94637 7.519212 -22.50680      15.11354 
1 1 1 -6  17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  17 14 o 78.12244 4.821182 528.7277       64.00351 678.9565       93.40518 395.7556       87.87684 88.16032 6.244752 66.69859 7.866714 21.46174       10.04401 
1 1 1 -6  17 15 o 74.10335 5.420624 478.3754       68.11848 307.1298       81.92254 862.0230       122.6196 58.37193 8.465590 98.87754 7.313963 -40.50561      11.18751 
1 1 1 -6  17 16 o 70.72286 9.673775 456.7088       113.7678 493.8480       192.8237 436.8763       140.9069 69.69956 16.46295 67.65792 12.66123 2.041641       20.76862 
1 1 1 -6  17 17 o 58.32239 10.85851 319.8603       104.1657 165.0959       162.9909 426.7144       135.4327 43.25711 16.25955 66.77446 12.33139 -23.51735      20.40677 
1 1 1 -6  17 18 o 110.6057 6.583765 1079.200       123.7899 1148.025       211.7053 1043.443       152.5954 110.7088 11.35911 107.7029 8.362389 3.005859       14.10528 
1 1 1 -6  17 19 o 89.56624 6.719241 712.6981       102.0211 640.0519       155.8799 767.1337       134.9351 81.92915 11.45491 91.75618 8.716341 -9.827026      14.39408 
1 1 1 -6  17 20 o 86.43320 7.265945 671.9980       106.2494 720.7607       178.1585 645.0818       132.3641 85.49542 12.57887 83.22823 9.482457 2.267189       15.75261 
1 1 1 -6  17 21 o 43.19774 12.08144 188.9880       92.60671 235.8108       133.3524 145.3735       128.7026 46.82181 14.85419 38.84124 14.47802 7.980564       20.74270 
1 1 1 -6  17 22 o 57.07386 9.444338 310.5694       88.82815 298.2960       138.7679 319.0898       115.6203 52.10365 14.86579 55.82909 12.44517 -3.725441      19.38747 
1 1 1 -6  17 23 o 69.48417 8.600598 454.0670       99.87080 374.7664       171.8789 494.4876       122.7117 55.92164 16.71216 71.10345 10.41510 -15.18181      19.69189 
1 1 1 -6  17 24 o 68.28318 9.706844 453.7540       109.9998 546.5726       173.4523 391.3099       142.2683 69.46838 15.05604 59.22826 14.24131 10.24012       20.72436 
1 1 1 -6  18 1  o 72.36081 4.974256 453.3188       61.09245 467.7111       102.8840 445.4803       75.92773 72.58802 8.458689 71.43642 6.288225 1.151604       10.53998 
1 1 1 -6  18 2  o 81.65146 4.780078 576.0409       66.35946 537.3173       105.4258 601.4502       85.39954 78.00854 8.028778 83.14724 6.056215 -5.138695      10.05679 
1 1 1 -6  18 3  o 139.4437 3.930195 1669.895       93.58691 1565.298       140.1008 1754.176       125.7611 134.4587 6.101684 142.6201 5.163732 -8.161392      7.993414 
1 1 1 -6  18 4  o 103.4451 4.157863 919.6978       73.44833 792.6680       110.5389 1020.117       98.28141 95.27335 6.839774 108.7254 5.293444 -13.45209      8.648876 
1 1 1 -6  18 5  o 104.2626 3.962662 933.8499       70.55335 866.8771       109.4892 981.4063       92.26280 99.75433 6.462177 106.6793 5.064594 -6.924950      8.210350 
1 1 1 -6  18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  18 10 o 95.02169 5.310854 783.5204       85.83165 865.0055       120.9814 700.9407       121.7913 99.20895 7.189896 88.90221 8.111675 10.30675       10.83946 
1 1 1 -6  18 11 o 27.00738 9.691601 56.89133       56.83791 3.112083       103.4974 80.11455       68.01161 27.78486 11.98368 30.86206 10.63967 -3.077204      16.02533 
1 1 1 -6  18 12 o 51.57699 6.329909 235.2750       54.58114 201.7772       85.70238 258.1331       70.79518 46.26452 11.00756 53.54457 7.986887 -7.280048      13.59988 
1 1 1 -6  18 13 f 103.8588 4.102560 930.0071       72.76125 901.7103       106.5042 954.7731       99.63844 101.4716 6.175776 104.6567 5.595437 -3.185089      8.333613 
1 1 1 -6  18 14 o 30.09059 8.563340 83.07912       46.10733 150.4254       68.03854 25.88767       62.69944 39.98716 9.992172 24.03014 9.763690 15.95702       13.97044 
1 1 1 -6  18 15 o 23.47487 8.678911 40.51762       46.06221 80.00799       60.55856 -13.69246      70.95288 30.10906 10.04430 21.87572 9.665921 8.233343       13.93980 
1 1 1 -6  18 16 o 77.33925 8.086342 540.4638       105.2166 623.5416       194.3870 506.0378       125.1318 78.27939 15.08886 73.63387 10.22767 4.645515       18.22852 
1 1 1 -6  18 17 f 55.94341 10.49064 298.8477       96.53781 412.1182       186.3714 257.3116       112.8584 61.06611 17.16037 50.50803 13.00643 10.55807       21.53243 
1 1 1 -6  18 18 o 123.3590 6.476184 1353.728       135.9473 1558.610       240.7067 1257.764       164.7369 127.5274 11.16555 117.4233 8.268303 10.10408       13.89368 
1 1 1 -6  18 19 o 56.24853 10.11242 304.7380       93.56239 427.1117       164.6322 246.3588       113.7103 62.40496 15.51502 48.55032 13.31558 13.85463       20.44555 
1 1 1 -6  18 20 o 70.91888 8.736510 470.2143       103.5668 584.4503       194.5091 425.0129       122.3529 72.25986 16.16725 65.52621 11.34531 6.733643       19.75084 
1 1 1 -6  18 21 o 57.59174 10.33368 326.0100       97.89459 217.0054       140.8155 427.9682       136.1881 43.94256 15.30038 63.95396 12.91491 -20.01140      20.02240 
1 1 1 -6  18 22 o 33.21046 12.29032 105.8571       92.41710 256.2082       134.4782 -28.69945      127.2187 47.06257 14.91529 26.84354 12.29689 20.21903       19.33079 
1 1 1 -6  19 1  o 128.6146 4.015553 1424.115       88.19371 1270.305       135.9874 1535.774       115.8648 120.4444 6.637270 133.2281 5.092768 -12.78363      8.365981 
1 1 1 -6  19 2  o 45.16872 7.236441 182.9527       53.93237 161.3387       88.04732 195.9323       68.23074 41.40400 11.85117 46.25309 8.962138 -4.849091      14.85833 
1 1 1 -6  19 3  o 68.00247 5.183164 402.5164       59.73633 409.1132       94.03095 398.0525       77.35073 67.57368 8.324791 67.15273 6.840787 0.4209595      10.77490 
1 1 1 -6  19 4  o 103.6653 3.996516 925.1952       70.74842 860.2134       108.6043 973.1005       93.24876 99.10874 6.452187 106.0269 5.150211 -6.918159      8.255629 
1 1 1 -6  19 5  o 83.23721 4.338326 599.0439       61.45193 543.3602       90.47948 646.7245       83.72527 78.53933 6.813748 86.10535 5.726750 -7.566017      8.900721 
1 1 1 -6  19 6  o 132.8165 3.796133 1517.985       86.09848 1507.142       127.8048 1526.995       116.5019 131.7073 5.682445 132.7812 5.138004 -1.073883      7.660892 
1 1 1 -6  19 7  o 89.85790 4.981680 701.0687       76.14312 666.7093       147.1648 713.6293       88.97890 85.35549 10.30503 90.39929 5.794459 -5.043800      11.82241 
1 1 1 -6  19 8  f 77.66080 5.363103 525.9026       70.68880 540.1655       87.54945 499.1898       119.8150 78.29574 6.609859 73.93572 9.725758 4.360016       11.75928 
1 1 1 -6  19 9  o 57.10445 5.345493 285.6034       51.52011 264.2392       74.59084 305.0941       71.24514 53.94045 8.369014 58.42902 7.299708 -4.488564      11.10523 
1 1 1 -6  19 10 o 32.87988 8.948901 100.2369       51.59058 110.2244       80.15884 93.17426       67.40709 34.87094 11.55234 32.24531 10.58942 2.625629       15.67139 
1 1 1 -6  19 11 o 60.45613 5.107492 319.6438       52.23557 262.9315       76.25894 369.7731       71.69647 53.60291 8.623487 64.57037 6.594796 -10.96745      10.85614 
1 1 1 -6  19 12 o 30.98311 10.71352 83.55077       68.98402 129.6327       94.93227 31.99262       100.4147 37.34469 12.57556 28.96908 12.11829 8.375616       17.46418 
1 1 1 -6  19 13 o 45.11816 6.766181 183.5135       50.52370 206.5914       75.95888 165.2021       67.66140 46.71549 9.832828 41.73704 9.680973 4.978451       13.79876 
1 1 1 -6  19 14 o 57.52334 5.662101 292.7700       54.89820 224.5625       78.29603 358.7309       76.99586 48.64272 9.765159 63.05050 7.285306 -14.40778      12.18335 
1 1 1 -6  19 15 o 32.09987 9.266626 97.64091       53.62508 28.71389       72.62430 180.2752       79.51837 25.19944 10.40337 42.86645 10.85248 -17.66701      15.03351 
1 1 1 -6  19 16 o 70.94756 9.080279 470.7836       107.4875 485.4692       181.5608 462.8590       133.3719 66.14867 16.20165 68.36213 11.85444 -2.213455      20.07539 
1 1 1 -6  19 17 o 71.68752 9.014563 481.8384       107.9142 584.5104       182.6404 426.7693       133.7596 73.72523 15.01707 64.84336 12.53323 8.881866       19.56001 
1 1 1 -6  19 18 o 36.27272 12.35086 131.1746       91.58012 -19.03126      185.1597 179.8194       105.3711 32.38131 14.83426 41.37194 13.21250 -8.990627      19.86518 
1 1 1 -6  19 19 o 77.23231 8.685704 562.8208       112.5655 690.2342       238.7936 526.4194       127.6364 73.47324 18.91862 73.11783 10.52565 0.3554153      21.64956 
1 1 1 -6  19 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  20 1  o 123.0685 4.069140 1308.075       85.51678 1343.529       132.9518 1283.056       111.6868 123.5886 6.320760 121.3667 5.388902 2.221893       8.306158 
1 1 1 -6  20 2  o 147.3985 3.905399 1874.635       98.30154 1805.102       150.3427 1926.561       129.9212 143.5442 6.133306 148.8733 5.110476 -5.329025      7.983383 
1 1 1 -6  20 3  o 92.26980 4.277036 736.1586       67.39138 755.7523       108.1370 723.7164       86.17167 92.33154 6.908461 90.92947 5.576480 1.402077       8.878285 
1 1 1 -6  20 4  o 67.32326 5.122885 396.2627       58.45349 420.2880       89.35744 378.2918       77.28245 68.33191 7.797454 65.08974 7.066418 3.242172       10.52305 
1 1 1 -6  20 5  o 22.02177 8.342677 32.97990       43.10584 96.89147       71.30589 -3.827158      54.11296 32.74245 10.89807 19.78944 8.599872 12.95301       13.88257 
1 1 1 -6  20 6  o 109.3837 4.147307 1034.536       77.46768 1108.512       114.5188 972.1255       105.1869 112.3187 5.992315 105.2202 5.877597 7.098480       8.393687 
1 1 1 -6  20 7  o 85.38012 4.550140 633.9683       66.10191 593.7368       95.30600 671.2612       91.75929 81.65874 6.899215 87.19343 6.203065 -5.534683      9.277780 
1 1 1 -6  20 8  o 67.50363 6.363692 404.8053       72.49073 329.4915       182.4147 418.9296       78.99627 54.82680 17.37094 68.47498 6.847541 -13.64817      18.67187 
1 1 1 -6  20 9  f 55.17073 7.303949 275.4614       67.12091 374.4033       87.68925 135.4713       104.3049 64.01009 8.211583 37.86419 13.16918 26.14590       15.51958 
1 1 1 -6  20 10 o 48.72799 5.860968 211.5914       47.79144 156.5882       71.87070 255.1916       63.98851 40.20256 10.39271 53.02690 7.256930 -12.82434      12.67562 
1 1 1 -6  20 11 o 45.88319 6.685443 190.6316       50.84306 201.4551       71.44889 179.5286       72.36578 46.01735 9.409707 43.11991 10.01879 2.897438       13.74477 
1 1 1 -6  20 12 o 46.35253 7.161515 196.4521       54.85950 160.4799       75.41654 236.8767       79.94768 40.37783 10.74771 49.71809 9.764928 -9.340260      14.52126 
1 1 1 -6  20 13 o 26.59347 9.745815 57.98069       57.88172 99.74219       81.34911 15.15950       82.37475 32.87090 11.61580 25.13836 10.76394 7.732540       15.83632 
1 1 1 -6  20 14 o 14.14760 6.924600 -100.1001      56.07846 -144.0654      70.94720 -26.89566      91.54791 15.20521 7.509614 23.48612 10.63101 -8.280910      13.01586 
1 1 1 -6  20 15 o 39.24174 9.454349 150.0468       62.60533 149.8431       89.04990 150.2458       88.03347 38.31956 12.13655 38.37855 12.05612 -0.5899048E-01 17.10690 
1 1 1 -6  20 16 o 49.37539 9.888202 239.4265       80.46664 87.54172       105.1441 454.1312       125.0112 32.35711 12.81312 67.24710 11.28597 -34.88999      17.07481 
1 1 1 -6  20 17 o 35.81331 12.40352 131.1933       92.48215 -12.08782      145.2748 228.8267       119.9209 29.16813 13.27689 45.20646 14.05009 -16.03833      19.33083 
1 1 1 -6  21 1  o 56.03648 6.789558 283.4120       63.64406 309.2384       99.85954 265.7453       82.59176 56.45670 10.75056 52.94107 9.484030 3.515633       14.33601 
1 1 1 -6  21 2  o 61.67875 5.525614 336.7324       57.58241 201.4588       97.08664 410.1408       71.51971 44.61336 12.33191 67.79648 6.247857 -23.18312      13.82432 
1 1 1 -6  21 3  o 67.57319 5.114537 401.7718       58.58055 494.1937       107.0457 362.2603       69.99118 73.02853 8.758426 63.54724 6.543325 9.481293       10.93275 
1 1 1 -6  21 4  o 15.72859 7.280543 -33.68097      46.26430 21.27361       77.29473 -64.35943      57.75169 25.08512 10.57054 16.17166 7.686100 8.913464       13.06952 
1 1 1 -6  21 5  o 48.75513 6.885431 215.9185       55.73088 87.33234       83.23534 320.4082       75.03215 31.74023 11.67863 59.20589 7.596524 -27.46567      13.93189 
1 1 1 -6  21 6  o 34.22907 9.072830 112.0498       53.88868 95.84906       80.34715 125.2962       72.65264 32.47245 11.53663 35.83369 10.90093 -3.361233      15.87212 
1 1 1 -6  21 7  f 79.35885 5.265840 555.0222       70.95638 506.8846       104.3214 596.4651       96.79564 74.08215 8.394445 81.30692 7.041007 -7.224770      10.95639 
1 1 1 -6  21 8  o 73.04144 5.369351 471.3645       66.50249 386.0585       98.68546 542.3306       90.00961 63.95651 9.308923 77.57255 6.865751 -13.61604      11.56696 
1 1 1 -6  21 9  o 37.92351 10.37960 141.5616       69.17752 186.4879       147.8765 128.9754       78.27006 42.19503 15.56019 36.14046 11.37035 6.054573       19.27186 
1 1 1 -6  21 10 o 38.31824 9.754279 143.5739       63.99145 176.1016       77.77526 75.41013       112.5878 42.00074 10.78729 32.23985 13.08943 9.760891       16.96169 
1 1 1 -6  21 11 o 29.26153 9.747675 80.01180       57.04202 44.42672       78.85192 119.0782       82.61906 26.91061 10.94342 34.75044 11.73154 -7.839828      16.04330 
1 1 1 -6  21 12 o 18.66196 8.432586 -20.21367      57.30951 -80.36851      75.43385 61.90635       88.13644 18.26757 8.710838 29.11438 11.66470 -10.84682      14.55830 
1 1 1 -6  21 13 o 33.98273 9.697194 114.1605       59.04325 112.2808       85.26929 115.8918       81.83601 33.76173 11.89649 34.10081 11.67501 -0.3390770     16.66831 
1 1 1 -6  22 1  o 43.82021 8.127855 181.4746       58.58137 62.71730       101.4437 240.8922       71.75507 30.24629 12.36889 50.33926 8.659518 -20.09297      15.09890 
1 1 1 -6  22 2  o 24.44383 9.339230 44.91951       54.30770 110.2317       92.91370 11.02797       66.93114 33.94603 12.36176 22.60431 9.691377 11.34172       15.70783 
1 1 1 -6  22 3  o 68.64643 5.216305 417.8934       60.69067 435.7547       100.8686 407.7581       75.98331 67.79643 8.929880 66.99072 6.733215 0.8057175      11.18387 
1 1 1 -6  22 4  o 36.40657 9.582765 130.4395       60.38926 92.33904       89.85107 161.8304       81.55676 32.03444 12.06618 39.74042 11.41508 -7.705982      16.61014 
1 1 1 -6  22 5  o 40.23871 9.458201 158.7635       63.89405 137.8589       89.94503 180.0583       90.78042 36.72053 12.24068 41.52556 12.07689 -4.805035      17.19551 
1 1 1 -6  22 6  o 29.44642 10.08368 81.21484       61.04770 58.96032       94.38265 97.22225       80.04673 29.31599 11.95292 32.05648 11.50156 -2.740494      16.58789 
1 1 1 -6  22 7  f 29.88398 10.03174 84.80354       60.40854 -27.82148      82.93783 212.0651       88.16248 22.04256 10.03279 45.41383 11.38873 -23.37127      15.17762 
1 1 1 -5  0  1  o 358.8837 24.58832 11263.12       1490.660 11263.12       1490.660 11263.12       1490.660 358.8837 24.58832 358.8837 24.58832 0.000000       0.000000 
1 1 1 -5  0  2  o 73.70008 13.42036 508.5616       152.3173 508.5616       152.3173 508.5616       152.3173 73.70008 13.42036 73.70008 13.42036 0.000000       0.000000 
1 1 1 -5  0  3  o 262.3992 28.62605 6164.532       1243.943 6164.532       1243.943 6164.532       1243.943 262.3992 28.62605 262.3992 28.62605 0.000000       0.000000 
1 1 1 -5  0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0  6  o 107.8534 5.995811 1003.094       109.6488 1003.094       109.6488 1003.094       109.6488 107.8534 5.995811 107.8534 5.995811 -0.000000      0.000000 
1 1 1 -5  0  7  f 111.3188 5.762681 1067.348       108.8755 1067.348       108.8755 1067.348       108.8755 111.3188 5.762681 111.3188 5.762681 -0.000000      0.000000 
1 1 1 -5  0  8  o 65.61481 4.273137 372.4456       47.41381 372.4456       47.41381 372.4456       47.41381 65.61481 4.273137 65.61481 4.273137 0.000000       0.000000 
1 1 1 -5  0  9  f 88.51996 2.963177 671.4945       44.67828 671.4945       44.67828 671.4945       44.67828 88.51996 2.963177 88.51996 2.963177 0.000000       0.000000 
1 1 1 -5  0  10 o 57.30665 4.663590 286.1443       44.94274 286.1443       44.94274 286.1443       44.94274 57.30665 4.663590 57.30665 4.663590 -0.000000      0.000000 
1 1 1 -5  0  11 o 388.1533 7.224810 12897.05       478.5112 12897.05       478.5112 12897.05       478.5112 388.1533 7.224810 388.1533 7.224810 -0.000000      0.000000 
1 1 1 -5  0  12 o 58.98240 4.717110 302.8393       46.81263 302.8393       46.81263 302.8393       46.81263 58.98240 4.717110 58.98240 4.717110 -0.000000      0.000000 
1 1 1 -5  0  13 o 490.1869 9.685253 20572.32       810.0129 20572.32       810.0129 20572.32       810.0129 490.1869 9.685253 490.1869 9.685253 -0.000000      0.000000 
1 1 1 -5  0  14 o 90.47393 4.592923 704.5263       70.54284 704.5263       70.54284 704.5263       70.54284 90.47393 4.592923 90.47393 4.592923 -0.000000      0.000000 
1 1 1 -5  0  15 o 267.7965 6.851882 6140.099       312.8770 6140.099       312.8770 6140.099       312.8770 267.7965 6.851882 267.7965 6.851882 -0.000000      0.000000 
1 1 1 -5  0  16 o 361.1106 8.931716 11170.78       550.0173 11170.78       550.0173 11170.78       550.0173 361.1106 8.931716 361.1106 8.931716 -0.000000      0.000000 
1 1 1 -5  0  17 o 162.1494 5.548336 2254.245       153.2237 2254.245       153.2237 2254.245       153.2237 162.1494 5.548336 162.1494 5.548336 -0.000000      0.000000 
1 1 1 -5  0  18 o 365.9991 6.217305 11458.75       388.3304 11458.75       388.3304 11458.75       388.3304 365.9991 6.217305 365.9991 6.217305 -0.000000      0.000000 
1 1 1 -5  0  19 o 29.34618 12.80812 105.7803       66.71445 105.7803       66.71445 105.7803       66.71445 29.34618 12.80812 29.34618 12.80812 -0.000000      0.000000 
1 1 1 -5  0  20 o 54.07388 9.282159 271.4323       78.13065 271.4323       78.13065 271.4323       78.13065 54.07388 9.282159 54.07388 9.282159 -0.000000      0.000000 
1 1 1 -5  0  21 o 164.6590 4.695513 2323.313       131.7865 2323.313       131.7865 2323.313       131.7865 164.6590 4.695513 164.6590 4.695513 -0.000000      0.000000 
1 1 1 -5  0  22 o 160.7649 5.193893 2217.434       142.2519 2217.434       142.2519 2217.434       142.2519 160.7649 5.193893 160.7649 5.193893 -0.000000      0.000000 
1 1 1 -5  0  23 o 17.65008 11.40630 -1.442953      80.46481 -1.442953      80.46481 -1.442953      80.46481 17.65008 11.40630 17.65008 11.40630 -0.000000      0.000000 
1 1 1 -5  0  24 o 38.93939 18.93255 195.8568       147.7271 195.8568       147.7271 195.8568       147.7271 38.93939 18.93255 38.93939 18.93255 0.000000       0.000000 
1 1 1 -5  0  25 o 91.02992 6.831033 722.4768       104.8125 722.4768       104.8125 722.4768       104.8125 91.02992 6.831033 91.02992 6.831033 0.000000       0.000000 
1 1 1 -5  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0  27 f 192.8532 5.954222 3197.131       195.6661 3197.131       195.6661 3197.131       195.6661 192.8532 5.954222 192.8532 5.954222 -0.000000      0.000000 
1 1 1 -5  0  28 f 145.1913 5.567034 1815.057       137.5670 1815.057       137.5670 1815.057       137.5670 145.1913 5.567034 145.1913 5.567034 -0.000000      0.000000 
1 1 1 -5  0  29 o 143.6458 5.892920 1781.153       143.9995 1781.153       143.9995 1781.153       143.9995 143.6458 5.892920 143.6458 5.892920 -0.000000      0.000000 
1 1 1 -5  0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0  31 o 135.1100 5.902609 1582.245       135.5948 1582.245       135.5948 1582.245       135.5948 135.1100 5.902609 135.1100 5.902609 0.000000       0.000000 
1 1 1 -5  0  32 o 19.27661 11.92535 27.92747       77.67255 27.92747       77.67255 27.92747       77.67255 19.27661 11.92535 19.27661 11.92535 0.000000       0.000000 
1 1 1 -5  0  33 o 69.72131 7.918319 441.0386       91.13676 441.0386       91.13676 441.0386       91.13676 69.72131 7.918319 69.72131 7.918319 0.000000       0.000000 
1 1 1 -5  0  34 o 58.83307 10.67198 337.1407       96.75672 337.1407       96.75672 337.1407       96.75672 58.83307 10.67198 58.83307 10.67198 0.000000       0.000000 
1 1 1 -5  0  35 o 33.23491 15.07887 151.7422       92.43584 151.7422       92.43584 151.7422       92.43584 33.23491 15.07887 33.23491 15.07887 0.000000       0.000000 
1 1 1 -5  1  1  o 475.3640 8.920729 19347.08       724.1501 20068.15       1024.069 18625.92       1024.137 483.5243 12.40250 465.7297 12.87722 17.79453       17.87861 
1 1 1 -5  1  2  o 340.8241 9.621466 9949.912       559.9812 9906.929       584.1517 10437.32       1967.063 340.0366 10.06000 341.3008 34.21099 -1.264191      35.65944 
1 1 1 -5  1  3  o 582.6013 38.13707 30551.97       3773.265 28617.86       5336.164 32486.14       5336.242 545.8020 58.14751 586.2407 53.90768 -40.43866      79.29168 
1 1 1 -5  1  4  o 263.0551 28.01065 6135.173       1238.908 6135.173       1238.908 0.000000       0.000000 263.0551 28.01065 ?        ?        0.000000       28.01065 
1 1 1 -5  1  5  o 271.9758 7.862594 6330.627       365.1725 6327.690       1245.054 6330.903       381.9712 267.0757 27.70226 271.9518 8.225016 -4.876068      28.89751 
1 1 1 -5  1  6  o 23.65058 7.202042 47.97837       31.70113 57.93237       54.60181 42.91695       38.93541 27.47451 9.529730 23.47243 8.052631 4.002071       12.47640 
1 1 1 -5  1  7  o 256.1821 5.226587 5611.068       228.6488 5673.909       316.9298 5542.857       330.1942 257.4587 7.208643 254.4324 7.599678 3.026367       10.47471 
1 1 1 -5  1  8  o 146.5385 3.660894 1834.956       91.60958 1763.128       114.0224 1965.750       153.8641 143.6063 4.649592 151.5712 5.944544 -7.964890      7.546940 
1 1 1 -5  1  9  o 368.2357 4.864619 11597.25       305.8980 11752.53       432.4721 11441.78       432.7383 370.3889 6.837512 365.4421 6.934336 4.946869       9.738408 
1 1 1 -5  1  10 o 89.02296 3.083445 677.1186       46.87488 733.3857       66.59770 621.8759       65.98867 92.62135 4.210622 85.15963 4.554180 7.461716       6.202410 
1 1 1 -5  1  11 o 308.2321 4.257155 8120.230       224.0780 8343.840       316.8322 7896.446       316.9562 312.2972 5.940997 303.7920 6.109715 8.505219       8.521976 
1 1 1 -5  1  12 o 326.8431 4.686131 9129.390       261.5506 9093.840       374.1342 9163.371       365.7839 326.0511 6.719543 327.3109 6.544285 -1.259735      9.379762 
1 1 1 -5  1  13 o 139.1588 3.338420 1654.066       79.33292 1610.280       112.1396 1697.937       112.2479 137.2779 4.783616 140.9675 4.662914 -3.689560      6.680251 
1 1 1 -5  1  14 o 236.2081 4.167699 4766.521       168.1098 4750.658       237.8166 4782.363       237.6698 235.7490 5.907317 236.5354 5.884045 -0.7863770     8.337768 
1 1 1 -5  1  15 o 200.8379 3.709450 3445.612       127.2205 3470.229       177.8799 3419.834       182.0257 201.5097 5.169267 200.0355 5.328728 1.474197       7.424060 
1 1 1 -5  1  16 o 458.0991 5.735170 17939.98       448.6499 16010.12       640.5717 19798.21       628.5722 432.4184 8.674843 481.0103 7.652420 -48.59195      11.56773 
1 1 1 -5  1  17 o 149.9353 3.323457 1920.361       85.09340 1778.114       118.5295 2071.646       122.2366 144.2384 4.812200 155.6960 4.597501 -11.45763      6.655395 
1 1 1 -5  1  18 o 166.1243 3.145803 2357.562       89.24147 2341.252       125.7128 2374.130       126.7060 165.5060 4.447992 166.6639 4.451987 -1.157867      6.293236 
1 1 1 -5  1  19 o 40.73352 7.115970 146.2687       47.69651 164.0867       70.64882 131.3457       64.65511 42.85217 9.859492 38.37200 9.824713 4.480171       13.91886 
1 1 1 -5  1  20 o 231.2656 3.604549 4571.667       142.3521 4611.280       199.3626 4530.461       203.3286 232.1439 5.029034 230.0860 5.174951 2.057877       7.216044 
1 1 1 -5  1  21 o 181.3585 3.257376 2811.542       100.8806 2796.542       144.2117 2825.916       141.1704 180.7648 4.671803 181.7227 4.549173 -0.9579010     6.520791 
1 1 1 -5  1  22 o 28.14153 9.945587 59.80907       59.63841 6.577002       83.31261 115.7543       85.40937 25.99211 10.96468 36.94877 11.90542 -10.95666      16.18528 
1 1 1 -5  1  23 o 237.2830 4.336275 4821.003       175.7055 4486.459       219.1793 5422.628       293.9247 228.6835 5.612583 251.1210 6.854110 -22.43752      8.858890 
1 1 1 -5  1  24 o 146.6319 3.605880 1839.930       90.29041 1692.661       126.2550 1994.091       129.1749 140.4637 5.263594 152.4991 4.960314 -12.03535      7.232574 
1 1 1 -5  1  25 o 118.2944 5.449784 1201.625       110.0894 1199.792       116.8641 1216.071       328.1058 118.1609 5.791692 115.0647 17.22818 3.096130       18.17564 
1 1 1 -5  1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  1  27 o 198.8424 4.157164 3388.961       141.1588 3545.966       201.1227 3236.536       198.1675 203.0262 5.801059 193.9192 5.984251 9.106949       8.334479 
1 1 1 -5  1  28 o 106.0985 4.559705 966.4039       82.61292 1026.223       112.9554 897.6043       121.1379 108.9347 6.096571 101.6414 7.022293 7.293297       9.299504 
1 1 1 -5  1  29 o 85.65775 5.053741 634.2097       73.59592 561.8590       106.9433 699.3000       101.4357 79.87526 7.945887 89.56634 6.680040 -9.691078      10.38075 
1 1 1 -5  1  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  1  31 o 24.16070 9.625509 30.37517       59.66905 -25.26006      82.51176 91.36529       86.39143 23.02114 10.28258 33.30220 11.94867 -10.28106      15.76395 
1 1 1 -5  1  32 o 17.43064 7.898129 -24.99910      50.68007 -7.325118      69.75607 -44.75808      73.75597 22.16405 9.695213 20.31774 9.327903 1.846304       13.45388 
1 1 1 -5  1  33 o 34.44827 9.605646 112.6623       58.63232 154.9999       86.47554 76.63853       79.76734 39.77768 11.84650 30.68970 11.40618 9.087978       16.44507 
1 1 1 -5  1  34 o 51.26986 7.824939 242.8459       66.33787 274.6972       92.06892 208.4570       95.66628 53.09296 10.52675 45.26484 12.13045 7.828114       16.06114 
1 1 1 -5  1  35 o 81.87508 6.290174 602.4633       87.27367 507.6333       120.8016 705.9980       126.2241 72.42558 10.03721 86.83046 8.626930 -14.40488      13.23516 
1 1 1 -5  2  1  o 751.3746 13.90907 48555.84       1784.665 47273.24       2523.809 49838.61       2523.985 738.5287 20.01185 758.5966 19.48381 -20.06793      27.93014 
1 1 1 -5  2  2  o 345.2546 6.596390 10194.15       388.9087 9603.552       549.7642 10785.76       550.2361 334.8010 9.615852 354.8760 9.079679 -20.07501      13.22517 
1 1 1 -5  2  3  o 427.2946 9.844518 15645.90       718.3296 15980.40       778.2128 13719.93       1867.347 431.7211 10.55585 394.2413 27.91763 37.47986       29.84661 
1 1 1 -5  2  4  o 151.1804 5.910475 1954.126       152.5878 2104.792       376.2233 1924.463       166.9340 155.7473 14.30556 150.0066 6.516771 5.740707       15.71996 
1 1 1 -5  2  5  o 255.9856 5.489332 5602.067       239.9590 5583.848       340.3029 5620.084       338.4114 255.4056 7.802492 256.2386 7.733898 -0.8330841     10.98599 
1 1 1 -5  2  6  o 286.2702 4.937212 7005.200       241.3570 6818.675       334.6927 7207.291       348.3792 282.2758 6.943376 290.2000 7.029961 -7.924194      9.880832 
1 1 1 -5  2  7  o 123.3969 4.288851 1301.438       90.37473 1394.600       128.4261 1210.045       127.2010 127.6794 5.890205 118.7496 6.295212 8.929863       8.621149 
1 1 1 -5  2  8  o 274.9022 5.390910 6465.251       253.0709 6341.183       350.5515 6600.291       365.7231 271.9945 7.547267 277.4713 7.718489 -5.476837      10.79520 
1 1 1 -5  2  9  o 148.8177 3.671350 1892.804       93.30017 1907.200       113.3674 1862.585       164.2444 149.3487 4.445136 147.4699 6.522063 1.878723       7.892816 
1 1 1 -5  2  10 o 274.8475 4.952652 6460.144       232.4511 6390.724       289.0389 6587.253       391.1141 273.2450 6.194441 277.1480 8.263991 -3.902985      10.32786 
1 1 1 -5  2  11 o 256.9410 4.474447 5642.483       196.3246 5645.729       273.8335 5639.050       281.6201 256.8943 6.242093 256.7277 6.423756 0.1666260      8.957028 
1 1 1 -5  2  12 o 281.8448 4.424613 6787.505       212.9547 6733.510       300.9307 6841.667       301.3967 280.6173 6.279862 282.8647 6.239616 -2.247406      8.852654 
1 1 1 -5  2  13 o 469.9416 6.587399 18882.48       528.6397 18775.88       747.5482 18989.11       747.6707 468.2860 9.348159 470.9449 9.296905 -2.658813      13.18410 
1 1 1 -5  2  14 o 227.3657 3.631937 4415.768       141.0149 4445.769       199.2937 4385.688       199.5570 228.0890 5.116669 226.5410 5.158437 1.548004       7.265657 
1 1 1 -5  2  15 o 164.6660 3.769498 2316.295       105.9960 1800.808       146.4256 2883.800       153.6360 145.1392 5.907862 183.7028 4.897509 -38.56360      7.673880 
1 1 1 -5  2  16 o 389.2516 5.744992 12953.32       381.8755 12109.99       538.5234 13806.30       541.5969 376.0992 8.384945 401.6383 7.896581 -25.53909      11.51796 
1 1 1 -5  2  17 o 108.7668 3.608742 1010.681       67.02769 1022.039       93.33482 998.5845       96.31854 109.3475 4.998421 108.0802 5.218696 1.267342       7.226272 
1 1 1 -5  2  18 o 325.0434 4.336604 9030.370       240.7094 9160.483       340.1908 8899.915       340.6385 327.2118 6.088240 322.5139 6.185052 4.697906       8.678798 
1 1 1 -5  2  19 o 224.1721 3.872371 4295.280       148.2383 4296.532       208.2337 4293.994       211.0764 224.0901 5.441598 224.0173 5.517676 0.7273865E-01  7.749564 
1 1 1 -5  2  20 o 118.0859 3.985284 1192.297       80.36360 1235.412       98.73669 1107.677       138.3244 120.1631 4.811778 113.4141 7.179204 6.749001       8.642579 
1 1 1 -5  2  21 o 148.3152 5.698842 1885.041       144.3358 1843.058       354.8004 1893.367       158.0007 144.5312 14.57440 148.5901 6.226833 -4.058960      15.84886 
1 1 1 -5  2  22 o 313.1798 4.096570 8393.061       219.0867 8293.200       309.0125 8493.992       310.6648 310.9615 5.819256 314.7127 5.780639 -3.751160      8.202410 
1 1 1 -5  2  23 o 244.6285 3.918387 5121.735       163.6878 5129.977       230.1759 5113.302       232.8259 244.5417 5.511946 244.1287 5.584837 0.4129791      7.846780 
1 1 1 -5  2  24 o 132.2860 4.223821 1498.822       95.41602 1566.432       135.0232 1431.382       134.8542 135.0437 5.855070 129.0557 6.119071 5.987991       8.469054 
1 1 1 -5  2  25 o 287.4798 15.78298 7417.129       771.8504 6979.343       1087.879 7860.894       1095.281 270.7040 23.77420 289.0699 22.36209 -18.36591      32.63856 
1 1 1 -5  2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  2  27 o 47.94366 11.71629 210.1228       95.10986 210.1228       95.10986 0.000000       0.000000 47.94366 11.71629 ?        ?        0.000000       11.71629 
1 1 1 -5  2  28 o 89.37483 5.166611 689.2286       78.51752 611.5139       108.3412 775.2017       113.9523 83.62630 7.672170 94.37702 7.123058 -10.75072      10.46901 
1 1 1 -5  2  29 o 83.10773 5.437503 598.5229       76.74356 689.2314       103.5589 488.0267       114.2976 88.83238 6.880421 73.94108 9.254826 14.89130       11.53222 
1 1 1 -5  2  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  2  31 o 24.27195 9.329721 37.75957       54.40089 56.04455       75.74678 18.28105       78.17987 28.72242 11.01642 25.53826 10.68877 3.184162       15.34964 
1 1 1 -5  2  32 o 90.05539 4.903159 705.7835       75.11877 683.9518       104.3025 729.3108       108.2770 87.78685 7.016285 90.65101 7.050032 -2.864159      9.946417 
1 1 1 -5  2  33 o 29.53599 10.66796 73.46041       68.99129 -20.67675      107.8008 138.7657       89.78745 26.16492 11.71517 37.83853 12.20828 -11.67361      16.92002 
1 1 1 -5  2  34 o 38.10408 10.93632 143.7593       74.88606 140.2883       104.3710 147.4422       107.5084 37.69977 13.16988 38.44818 13.37001 -0.7484093     18.76707 
1 1 1 -5  2  35 o 105.3265 5.204286 978.4778       93.60540 1146.522       139.4997 840.8476       126.2464 112.0754 7.329247 95.50298 7.809372 16.57245       10.71000 
1 1 1 -5  3  1  o 230.3919 4.825646 4536.938       189.8561 4426.200       268.3492 4647.920       268.6453 227.4374 6.909339 233.0757 6.749636 -5.638306      9.659014 
1 1 1 -5  3  2  o 286.0648 5.621312 6996.901       274.6022 7274.607       396.9395 6742.005       380.2879 291.4812 7.974653 280.6120 7.936050 10.86926       11.25060 
1 1 1 -5  3  3  o 346.2245 5.409172 10248.36       319.8088 11682.27       537.6413 9463.179       397.8482 369.2957 8.525434 332.5502 7.005808 36.74545       11.03469 
1 1 1 -5  3  4  o 216.3430 3.634693 3998.771       134.2803 3995.171       190.5028 4002.325       189.3050 216.1776 5.160465 216.3730 5.123387 -0.1954041     7.271828 
1 1 1 -5  3  5  o 443.7184 6.830914 16851.04       517.5927 16789.71       642.8611 16964.06       872.7108 442.6190 8.505213 444.2295 11.50432 -1.610504      14.30692 
1 1 1 -5  3  6  o 241.9659 5.527145 5007.933       228.3794 4809.589       323.6542 5204.625       322.3045 236.8936 8.000662 246.4691 7.657766 -9.575424      11.07484 
1 1 1 -5  3  7  o 179.7284 4.536547 2761.938       139.2336 2731.646       192.8380 2794.928       201.2428 178.6222 6.322011 180.6635 6.523009 -2.041321      9.083913 
1 1 1 -5  3  8  o 119.9877 4.537736 1231.104       92.97751 1169.769       132.5708 1290.480       130.4354 116.6694 6.681890 122.6067 6.250623 -5.937309      9.149751 
1 1 1 -5  3  9  o 318.9295 5.443219 8702.113       296.4507 8684.322       366.1173 8735.985       505.1786 318.4358 6.732812 318.9472 9.275221 -0.5114441     11.46126 
1 1 1 -5  3  10 o 508.8427 8.283994 22189.65       719.8221 21581.51       881.5562 23406.28       1246.888 501.3156 10.29762 520.8113 14.01991 -19.49579      17.39537 
1 1 1 -5  3  11 o 578.0453 8.668134 28617.80       855.6367 27768.05       1062.573 30185.03       1443.052 568.8797 10.93796 592.1034 14.27192 -23.22369      17.98129 
1 1 1 -5  3  12 o 517.2694 8.154416 22896.55       720.2969 21985.86       894.5175 24576.01       1214.757 506.5365 10.34132 534.9208 13.29835 -28.38437      16.84604 
1 1 1 -5  3  13 o 219.6710 3.822072 4122.089       143.3750 3862.714       200.1353 4395.546       205.4968 212.5948 5.512762 226.7921 5.306098 -14.19736      7.651484 
1 1 1 -5  3  14 o 297.1780 4.140466 7544.888       210.1202 7616.393       296.5612 7472.807       297.7520 298.5001 5.817923 295.6684 5.897226 2.831665       8.284051 
1 1 1 -5  3  15 o 478.7112 6.369939 19595.28       520.7278 19955.30       736.1176 19234.67       736.7234 482.7499 8.929418 473.9266 9.103145 8.823242       12.75154 
1 1 1 -5  3  16 o 584.9916 6.673924 29271.73       666.7037 29193.07       942.1612 29350.63       943.5632 583.6803 9.452534 585.2558 9.441116 -1.575500      13.35983 
1 1 1 -5  3  17 f 311.6381 4.232581 8299.313       225.2464 7835.312       315.4019 8782.289       321.7870 302.6627 6.102440 320.4512 5.880369 -17.78854      8.474581 
1 1 1 -5  3  18 o 62.21204 4.672782 332.7593       49.27966 326.0723       64.31828 342.2650       76.68544 61.41342 6.218676 62.79491 7.286777 -1.381496      9.579616 
1 1 1 -5  3  19 o 44.86256 5.969939 175.3276       44.60027 180.3258       51.84907 161.1066       87.45729 45.36205 6.911851 42.55511 11.68037 2.806946       13.57221 
1 1 1 -5  3  20 o 178.3004 4.497276 2719.705       136.9316 2770.475       198.6698 2673.760       188.9934 179.7698 6.471622 176.6263 6.265985 3.143478       9.008021 
1 1 1 -5  3  21 o 52.70159 4.759817 239.7103       42.37438 269.6894       58.39021 206.3548       61.59064 55.72924 6.242824 48.40424 7.709885 7.325005       9.920443 
1 1 1 -5  3  22 o 211.5632 3.603249 3828.453       130.1776 3981.638       184.8271 3677.659       183.3794 215.5743 5.020728 207.1584 5.183774 8.415909       7.216593 
1 1 1 -5  3  23 o 170.5424 3.546596 2488.329       103.2871 2357.567       141.3387 2638.193       151.3107 165.8382 4.990851 175.4223 5.051064 -9.584152      7.100834 
1 1 1 -5  3  24 o 209.5013 3.449613 3755.575       123.4125 3701.882       173.5663 3810.479       175.5132 207.7735 4.891851 210.8021 4.875654 -3.028564      6.906679 
1 1 1 -5  3  25 f 90.14957 13.33579 732.0170       199.1025 642.4262       285.5748 816.7568       277.7357 81.88271 20.47666 93.49905 18.04861 -11.61635      27.29553 
1 1 1 -5  3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  3  27 o 115.2907 4.430144 1140.039       87.21957 1104.924       123.0768 1175.464       123.6192 113.0490 6.401688 116.6505 6.228319 -3.601471      8.931604 
1 1 1 -5  3  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  3  29 o 112.0277 4.526805 1080.066       86.60029 1158.489       119.4913 993.3021       125.6859 115.5066 6.079381 106.6573 6.938462 8.849220       9.225027 
1 1 1 -5  3  30 o 63.23825 6.219430 350.8610       66.29463 343.6384       88.94243 359.8897       99.44356 61.81517 8.663797 62.95957 9.549011 -1.144394      12.89360 
1 1 1 -5  3  31 o 32.58492 9.591192 97.58444       56.95191 157.7242       79.96428 35.67419       81.13277 40.81355 11.15495 27.35296 11.10936 13.46059       15.74328 
1 1 1 -5  3  32 o 18.03067 8.472839 -62.89002      66.56908 -94.39333      101.8463 -39.39233      87.95891 22.06219 10.40209 22.77372 10.35261 -0.7115211     14.67583 
1 1 1 -5  3  33 o 58.83738 7.839540 316.4269       76.80716 325.1169       105.9570 306.8044       111.4981 57.84615 11.13044 55.56421 12.09421 2.281948       16.43644 
1 1 1 -5  3  34 o 29.83290 11.06051 75.46941       74.91480 71.17552       99.49700 81.09011       113.8359 31.15347 12.42381 32.91365 13.23201 -1.760183      18.15040 
1 1 1 -5  3  35 o 59.78582 8.321717 336.4632       82.65595 339.2532       116.9926 333.6827       116.7940 57.01762 12.37122 56.46935 12.44698 0.5482712      17.54919 
1 1 1 -5  4  1  o 223.0212 4.176952 4251.444       159.0771 4620.273       273.2502 4062.356       195.6500 232.2770 6.888938 217.9361 5.257131 14.34091       8.665731 
1 1 1 -5  4  2  o 334.2031 5.331177 9552.964       304.2534 10088.02       511.4454 9259.898       378.5152 342.9401 8.733315 328.8681 6.739996 14.07193       11.03170 
1 1 1 -5  4  3  o 143.4630 3.118572 1758.372       76.40076 1633.572       110.2166 1873.807       106.0006 138.2271 4.669302 148.0617 4.192411 -9.834595      6.275244 
1 1 1 -5  4  4  o 286.9269 4.299240 7037.805       210.6516 7097.234       298.0015 6978.452       297.8114 287.9649 6.060060 285.5396 6.107635 2.425262       8.603926 
1 1 1 -5  4  5  o 361.5178 4.737424 11176.21       292.4649 10987.91       413.5843 11364.56       413.6314 358.1759 6.761854 364.2816 6.649275 -6.105774      9.483435 
1 1 1 -5  4  6  o 232.5919 4.746996 4626.623       188.5452 4770.164       232.4223 4350.362       322.4407 236.0818 5.765188 225.1551 8.386218 10.92670       10.17674 
1 1 1 -5  4  7  o 394.3631 6.274013 13315.79       422.5164 12936.33       529.0380 13984.11       702.0933 388.3725 7.976943 403.2245 10.19638 -14.85199      12.94596 
1 1 1 -5  4  8  o 215.4166 5.409793 3969.553       199.0040 3960.474       275.6918 3979.430       287.5510 214.9843 7.509572 215.4661 7.815092 -0.4817657     10.83833 
1 1 1 -5  4  9  o 150.6182 5.512500 1940.087       141.7842 1883.308       195.6733 2002.852       205.7309 148.0799 7.765150 152.7026 7.916698 -4.622681      11.08926 
1 1 1 -5  4  10 o 240.3023 4.277792 4934.201       175.5414 4880.716       215.4763 5039.747       302.6943 238.9490 5.280712 242.6829 7.304042 -3.733887      9.013042 
1 1 1 -5  4  11 o 353.1762 5.696696 10661.85       343.5709 10459.01       420.6907 11068.08       595.3541 349.6989 7.044769 359.4667 9.698728 -9.767792      11.98725 
1 1 1 -5  4  12 o 375.4688 5.902542 12050.26       378.4555 10919.34       462.1584 14352.38       659.3824 357.2890 7.574766 409.4188 9.431214 -52.12979      12.09648 
1 1 1 -5  4  13 o 338.0178 5.328475 9764.544       307.5703 9742.813       382.0755 9804.553       518.4262 337.5562 6.628286 338.4232 8.970672 -0.8670044     11.15379 
1 1 1 -5  4  14 o 161.2709 3.210184 2221.468       88.40723 2125.454       108.3683 2412.522       152.8666 157.7310 4.023307 168.0098 5.328145 -10.27878      6.676536 
1 1 1 -5  4  15 o 199.6600 3.646616 3405.454       124.3320 3015.442       169.3304 3861.700       183.1451 187.8270 5.279284 212.5650 5.045470 -24.73805      7.302575 
1 1 1 -5  4  16 o 447.9596 4.969289 17152.10       380.1325 17181.72       536.2898 17122.18       538.8969 448.1079 7.008338 447.3244 7.054742 0.7834473      9.944153 
1 1 1 -5  4  17 o 239.8309 4.326605 4916.073       177.1962 5017.080       219.3814 4726.502       300.5451 242.2211 5.303787 234.9258 7.491641 7.295242       9.179044 
1 1 1 -5  4  18 o 195.1631 5.968536 3259.935       198.9150 2510.502       483.9390 3412.291       218.1993 169.0340 16.99577 199.6357 6.400490 -30.60170      18.16102 
1 1 1 -5  4  19 o 191.4560 3.376411 3132.776       110.3891 2968.534       154.5020 3304.055       157.7771 186.2736 4.857143 196.5311 4.701220 -10.25752      6.759682 
1 1 1 -5  4  20 o 149.4439 3.320169 1909.138       84.73062 1860.531       115.5591 1965.655       124.6061 147.4506 4.589396 151.5420 4.815090 -4.091339      6.651891 
1 1 1 -5  4  21 o 142.7177 3.271894 1741.463       79.74052 1633.541       109.3433 1864.059       116.5408 138.1309 4.635528 147.5565 4.625063 -9.425568      6.548231 
1 1 1 -5  4  22 o 39.87912 5.574076 139.0210       36.92198 147.1947       47.64756 126.7365       58.41283 40.79271 7.097785 37.55739 9.184163 3.235321       11.60721 
1 1 1 -5  4  23 o 184.2802 3.508764 2905.537       110.4167 2699.306       153.3216 3127.738       159.1469 177.4223 5.060496 191.0130 4.879030 -13.59067      7.029478 
1 1 1 -5  4  24 o 86.97767 3.858510 647.7315       57.30986 692.9416       79.29372 598.2859       82.92492 89.71235 5.198163 83.23722 5.871639 6.475128       7.842005 
1 1 1 -5  4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  4  26 o 69.58816 5.862652 419.3974       69.01873 474.8236       90.59139 342.7169       106.5545 73.80883 7.282412 61.84095 10.46327 11.96788       12.74808 
1 1 1 -5  4  27 o 56.35905 7.190447 278.8581       67.62555 235.2791       85.65604 350.9690       110.1844 51.00701 10.19044 62.44231 10.71940 -11.43530      14.79021 
1 1 1 -5  4  28 o 123.9135 4.195581 1318.274       88.77953 1496.671       122.2249 1119.029       129.1692 131.7873 5.431055 113.4953 6.694314 18.29196       8.620337 
1 1 1 -5  4  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  4  30 o 82.43869 5.411135 591.2017       75.75370 542.6016       92.63858 689.2917       131.6090 78.47588 6.985849 87.72427 8.909067 -9.248383      11.32138 
1 1 1 -5  4  31 f 30.94247 10.86789 80.71616       71.11912 133.9880       108.6102 40.72867       94.09871 38.56024 13.43669 29.17112 11.91905 9.389120       17.96130 
1 1 1 -5  4  32 o 146.8747 4.507979 1870.225       113.0657 1854.324       156.9806 1887.365       162.9866 145.1834 6.331799 146.3398 6.522101 -1.156372      9.090075 
1 1 1 -5  4  33 o 76.78757 6.203268 524.9031       80.64716 411.5559       109.5938 658.7741       119.1033 65.77836 10.07778 84.74650 8.337953 -18.96814      13.07987 
1 1 1 -5  4  34 o 58.89553 7.409002 317.7967       72.86594 279.9032       91.77785 382.4116       119.8456 53.51981 10.41683 61.75552 11.79448 -8.235706      15.73595 
1 1 1 -5  4  35 o 27.83852 10.61652 63.82954       70.09714 72.30236       91.07136 51.51374       109.7992 30.10736 11.92403 29.84835 12.58926 0.2590065      17.33989 
1 1 1 -5  5  1  o 392.0184 5.732285 13151.21       383.7391 14206.01       645.9083 12575.81       477.0588 406.6880 9.300529 383.0793 7.292581 23.60864       11.81870 
1 1 1 -5  5  2  o 271.7077 3.900469 6310.098       180.9759 6498.879       257.1500 6124.832       254.7441 275.6017 5.463898 267.5415 5.575850 8.060242       7.806682 
1 1 1 -5  5  3  o 317.0390 4.773622 8595.829       258.4417 8182.434       365.5693 9008.874       365.4143 309.0501 6.926900 324.3323 6.597713 -15.28220      9.566178 
1 1 1 -5  5  4  o 198.6285 3.150634 3370.959       106.8664 3307.726       149.1862 3437.603       153.1559 196.6900 4.441652 200.5124 4.472914 -3.822388      6.303589 
1 1 1 -5  5  5  o 244.6418 3.848098 5115.273       160.7603 4881.887       227.4021 5348.443       227.2967 238.8642 5.574956 250.0410 5.323287 -11.17676      7.708276 
1 1 1 -5  5  6  o 200.1784 3.587070 3424.159       122.6194 3619.391       173.4874 3229.275       173.3327 205.7324 4.938138 194.3114 5.223724 11.42099       7.188359 
1 1 1 -5  5  7  o 241.0418 4.415532 4966.158       181.7512 4816.597       225.6028 5242.736       306.7915 237.3098 5.567073 247.4381 7.260637 -10.12836      9.149271 
1 1 1 -5  5  8  o 107.5206 3.911917 987.7791       71.82626 1004.219       89.19856 957.4608       121.1340 108.3920 4.819021 105.5698 6.754717 2.822159       8.297540 
1 1 1 -5  5  9  o 321.2886 5.937998 8825.591       325.7897 8544.015       398.7029 9391.350       565.1539 316.0060 7.388430 331.0208 9.997914 -15.01483      12.43170 
1 1 1 -5  5  10 o 273.6569 5.943486 6401.628       277.7471 5982.236       383.4682 6864.452       402.8345 264.3808 8.493711 283.2180 8.329213 -18.83716      11.89617 
1 1 1 -5  5  11 o 141.3789 3.543734 1707.309       85.55544 1592.399       104.1786 1945.351       149.9431 136.5224 4.468612 150.8628 5.820261 -14.34041      7.337843 
1 1 1 -5  5  12 o 150.9285 3.949406 1945.960       101.7899 1859.582       121.6541 2147.599       185.8713 147.5222 4.829112 158.4742 6.868340 -10.95200      8.396095 
1 1 1 -5  5  13 o 372.5335 4.434359 11857.63       282.0967 12362.61       345.5142 10847.98       488.5561 380.3265 5.319947 356.0442 8.035419 24.28235       9.636898 
1 1 1 -5  5  14 o 504.3269 5.008680 21737.27       431.3575 21856.93       526.9637 21494.26       750.9646 505.5978 6.103425 501.0121 8.777471 4.585754       10.69092 
1 1 1 -5  5  15 o 238.5918 4.287026 4864.276       174.6681 4861.904       216.8406 4868.659       294.7601 238.4837 5.324513 238.5291 7.236448 -0.4542542E-01 8.984243 
1 1 1 -5  5  16 o 309.6316 5.900329 8200.123       311.9776 8190.992       326.0148 8299.361       1074.763 309.4340 6.169748 307.8805 20.56048 1.553497       21.46623 
1 1 1 -5  5  17 o 107.9948 5.598396 1000.433       102.8906 611.8098       220.6430 1108.425       116.3111 82.59578 16.22221 113.6508 6.014441 -31.05502      17.30126 
1 1 1 -5  5  18 o 50.92989 6.038449 225.1910       51.49411 187.9296       62.95200 300.5384       89.51880 46.09801 8.302320 58.42831 9.282434 -12.33030      12.45360 
1 1 1 -5  5  19 o 184.6808 3.513204 2915.656       110.7968 2976.419       154.6850 2851.635       158.7757 186.4935 4.857160 182.5215 5.094107 3.972015       7.038603 
1 1 1 -5  5  20 o 63.00024 4.073911 340.9629       43.59372 328.9967       57.23287 357.4995       67.28036 61.72305 5.487181 64.26582 6.207940 -2.542770      8.285389 
1 1 1 -5  5  21 o 114.5389 3.561607 1122.083       69.66280 1050.664       94.21493 1208.223       103.4704 110.7429 4.981980 118.7468 5.102611 -8.003891      7.131392 
1 1 1 -5  5  22 o 89.14537 3.617219 679.9310       55.06499 669.5347       74.54115 692.4192       81.69721 88.24248 4.966909 89.69207 5.358481 -1.449593      7.306402 
1 1 1 -5  5  23 o 97.58663 3.681829 815.0619       61.35584 782.5540       81.82882 856.8088       92.73069 95.38978 5.041357 99.76446 5.463864 -4.374680      7.434318 
1 1 1 -5  5  24 o 72.21403 14.30004 477.5483       170.1055 420.2272       259.2391 520.8898       225.4214 66.98223 20.63137 74.41050 17.94787 -7.428268      27.34556 
1 1 1 -5  5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  5  26 o 107.2409 4.397197 986.2411       80.52642 900.5993       108.7058 1090.386       119.8749 102.0637 6.267376 112.3383 6.273889 -10.27467      8.868014 
1 1 1 -5  5  27 o 42.08941 8.539860 159.5313       59.28164 221.9339       71.61519 23.69189       105.6615 49.78809 8.742151 29.97123 12.47502 19.81686       15.23323 
1 1 1 -5  5  28 o 80.55884 5.270904 561.8630       72.11062 562.0172       92.45139 561.6235       115.2296 80.20164 6.814936 79.64071 8.609828 0.5609360      10.98055 
1 1 1 -5  5  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  5  30 o 40.01006 10.52468 150.1153       72.87386 195.1898       100.7801 100.7198       105.5003 45.14913 12.59488 35.50316 13.13294 9.645969       18.19629 
1 1 1 -5  5  31 o 76.44482 9.199263 532.9431       117.6780 0.000000       0.000000 532.9431       117.6780 ?        ?        76.44482 9.199263 0.000000       9.199263 
1 1 1 -5  5  32 o 82.66823 5.294123 599.2346       74.34412 614.4431       101.0646 581.3002       109.7483 82.79845 7.220093 80.00910 8.146239 2.789352       10.88535 
1 1 1 -5  5  33 o 49.25746 7.917847 224.6137       64.34480 208.2316       87.96349 243.4684       94.36832 45.70150 11.32807 49.45073 11.40755 -3.749222      16.07660 
1 1 1 -5  5  34 o 26.10463 10.10851 50.34778       64.22202 -14.33624      79.57524 171.1889       108.7644 22.54921 10.08297 40.38211 13.46043 -17.83290      16.81813 
1 1 1 -5  6  1  o 60.20286 3.005284 309.5996       30.89616 322.5919       47.26605 299.9067       40.82560 61.26695 4.550229 59.10204 4.069899 2.164913       6.104806 
1 1 1 -5  6  2  o 255.6814 4.020357 5586.363       175.5358 5547.206       249.0443 5625.021       247.4536 254.6756 5.726474 256.4613 5.650280 -1.785690      8.044761 
1 1 1 -5  6  3  o 180.7758 2.869117 2791.480       88.57075 2878.643       126.2461 2706.994       124.2927 183.5390 4.027982 177.9806 4.089507 5.558441       5.740097 
1 1 1 -5  6  4  o 240.9058 4.068775 4959.284       167.3836 5105.774       239.8466 4820.200       233.7051 244.3392 5.748289 237.4066 5.764656 6.932556       8.140890 
1 1 1 -5  6  5  o 146.0180 3.315006 1821.390       82.65949 1760.677       116.8233 1882.258       116.9732 143.5253 4.766493 148.4029 4.615749 -4.877518      6.635103 
1 1 1 -5  6  6  o 54.31680 2.857466 252.6901       26.41117 261.9560       38.14224 244.1550       36.60710 55.22058 4.073620 53.30265 4.052087 1.917934       5.745763 
1 1 1 -5  6  7  o 86.68175 2.934051 641.7484       43.43074 669.2228       60.68876 612.9081       62.17905 88.50557 4.015464 84.58570 4.319119 3.919868       5.897351 
1 1 1 -5  6  8  o 279.6583 5.494385 6684.393       262.3908 6847.050       326.1141 6385.770       441.8698 282.9684 6.748849 273.0705 9.475839 9.897888       11.63351 
1 1 1 -5  6  9  o 351.5140 5.958221 10561.86       357.6524 10072.19       443.7131 11470.08       604.2904 343.1515 7.572066 365.9835 9.669018 -22.83197      12.28113 
1 1 1 -5  6  10 o 178.8627 4.920295 2733.650       150.2840 2718.291       182.6036 2765.893       264.5701 178.3265 5.996412 179.7727 8.618172 -1.446198      10.49904 
1 1 1 -5  6  11 o 321.3639 4.790148 8824.582       262.8742 8598.707       318.8578 9303.852       464.4653 317.1633 5.887246 329.7307 8.248824 -12.56738      10.13424 
1 1 1 -5  6  12 o 337.4352 5.058588 9730.632       291.4887 9330.169       353.1454 10586.71       516.3311 330.3403 6.260228 351.6691 8.597897 -21.32877      10.63552 
1 1 1 -5  6  13 o 549.4432 7.224078 25826.99       677.8088 25800.94       824.1986 25881.42       1191.373 548.9058 8.792899 548.8903 12.71043 0.1556396E-01  15.45542 
1 1 1 -5  6  14 o 436.4633 6.587858 16295.15       491.0139 16247.74       600.7615 16390.55       852.1810 435.6286 8.075767 436.9425 11.42104 -1.313873      13.98779 
1 1 1 -5  6  15 o 225.9622 7.698212 4372.337       297.0487 4999.801       730.6376 4248.085       325.1324 239.4323 18.00146 222.6524 8.551278 16.77988       19.92929 
1 1 1 -5  6  16 o 384.1915 5.412500 12625.32       355.0975 12382.44       433.5164 13120.54       619.0284 380.3016 6.675372 390.9803 9.271580 -10.67871      11.42466 
1 1 1 -5  6  17 o 468.6702 7.219043 18827.22       577.7618 18158.08       707.0234 20172.19       1002.380 459.7732 9.005094 483.4182 12.14249 -23.64493      15.11727 
1 1 1 -5  6  18 o 174.1454 3.739452 2592.726       111.2043 2439.106       137.4044 2884.382       189.3271 168.8395 4.765679 183.4886 6.042293 -14.64909      7.695518 
1 1 1 -5  6  19 o 334.1465 5.327583 9563.832       303.9969 9552.815       377.5935 9584.128       512.5110 333.6632 6.626958 333.5178 8.998752 0.1454773      11.17560 
1 1 1 -5  6  20 o 237.6264 3.941984 4831.027       159.9601 4786.070       223.6095 4878.145       228.9193 236.2853 5.541810 238.5338 5.619925 -2.248489      7.892732 
1 1 1 -5  6  21 o 271.4042 4.341189 6307.212       201.1996 6264.471       283.6219 6350.512       285.4655 270.0982 6.149166 271.9473 6.147055 -1.849091      8.694741 
1 1 1 -5  6  22 o 104.4290 3.497956 933.0824       62.37886 840.4269       84.83360 1042.150       92.04052 98.87068 5.041306 110.2543 4.888569 -11.38358      7.022313 
1 1 1 -5  6  23 o 100.4826 3.712665 864.3265       63.70575 878.7651       89.88282 849.7518       90.30573 101.0572 5.226318 99.35307 5.342319 1.704124       7.473605 
1 1 1 -5  6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  6  25 o 55.00965 4.682225 261.4355       43.56541 238.0849       56.35088 296.1275       68.68564 52.18702 6.461305 58.17078 7.059084 -5.983761      9.569698 
1 1 1 -5  6  26 o 29.19889 7.000264 76.56477       34.45186 41.33437       40.77298 164.5050       64.41802 23.29923 8.224603 42.69249 9.113332 -19.39326      12.27587 
1 1 1 -5  6  27 o 35.13853 7.234916 110.9000       41.96664 88.73805       48.20826 180.2481       85.27747 31.39858 8.693969 44.26474 11.25616 -12.86616      14.22274 
1 1 1 -5  6  28 o 146.5130 4.258337 1846.206       106.5413 1925.788       146.5123 1756.897       155.2077 149.1932 5.750735 142.2827 6.387915 6.910461       8.595139 
1 1 1 -5  6  29 o 23.12403 9.582440 16.07516       61.94900 -15.16525      77.80168 70.19155       102.3988 23.05344 10.15724 32.73484 12.73949 -9.681395      16.29307 
1 1 1 -5  6  30 o 20.67939 8.982238 -4.563028      58.97459 -29.01851      73.08874 41.06894       99.83826 21.25274 9.570456 29.85765 12.24725 -8.604904      15.54313 
1 1 1 -5  6  31 o 25.75736 9.814395 46.22558       59.87275 189.6709       72.77148 -254.3192      105.3350 44.86041 9.775637 17.53261 8.741595 27.32780       13.11406 
1 1 1 -5  6  32 o 56.78148 8.940481 300.6391       83.82337 261.9436       98.18335 404.6669       160.9838 51.60465 11.44171 61.52448 15.36776 -9.919827      19.15935 
1 1 1 -5  6  33 o 28.34117 11.21927 56.16584       80.58904 182.5211       142.6050 -3.121124      97.68271 41.87818 15.30487 25.66430 11.34059 16.21387       19.04857 
1 1 1 -5  6  34 o 46.18262 8.896642 205.1033       67.61780 146.9377       89.32430 283.1688       103.4823 37.72317 12.17735 52.40099 11.84304 -14.67782      16.98662 
1 1 1 -5  7  1  o 280.0595 4.831940 6701.977       231.0860 6611.977       328.2925 6790.365       325.3375 278.0620 6.913811 281.7976 6.760751 -3.735626      9.669981 
1 1 1 -5  7  2  o 531.9217 7.207048 24199.96       654.6469 23885.33       925.9421 24514.41       925.6788 527.9850 10.26976 534.9174 10.13379 -6.932312      14.42781 
1 1 1 -5  7  3  o 183.7164 3.164311 2882.781       99.27250 2766.080       138.8359 3004.867       142.0027 179.9283 4.518563 187.5362 4.434141 -7.607910      6.330799 
1 1 1 -5  7  4  o 253.6337 4.526017 5496.384       196.0311 5392.247       277.3185 5600.388       277.1413 251.1318 6.466588 255.9395 6.341062 -4.807678      9.056811 
1 1 1 -5  7  5  o 395.4145 6.223073 13366.41       420.2032 13308.68       594.4279 13424.07       594.0865 394.3129 8.827877 396.0234 8.784698 -1.710541      12.45401 
1 1 1 -5  7  6  o 187.5691 3.605407 3005.175       115.4829 3112.847       163.3707 2897.644       163.2642 190.8638 5.012435 184.1428 5.191997 6.720978       7.216740 
1 1 1 -5  7  7  o 315.6202 4.308698 8510.422       232.2271 8352.456       327.6929 8669.796       329.1493 312.5848 6.138993 318.4728 6.052274 -5.887970      8.620746 
1 1 1 -5  7  8  o 242.4549 3.388227 5021.006       140.2831 5057.771       198.8867 4984.606       197.8977 243.2972 4.787035 241.5307 4.798069 1.766525       6.777697 
1 1 1 -5  7  9  o 199.9044 4.354366 3414.168       148.6446 3539.034       184.4223 3182.644       251.1255 203.4966 5.307064 192.8844 7.624154 10.61220       9.289384 
1 1 1 -5  7  10 o 326.1479 4.908361 9089.887       273.3714 8897.803       338.7553 9448.547       462.8956 322.6080 6.149065 332.2794 8.157888 -9.671387      10.21578 
1 1 1 -5  7  11 o 287.6887 6.034917 7076.020       296.4805 7104.261       360.9058 7017.405       519.9378 288.1719 7.333989 286.0981 10.64227 2.073761       12.92460 
1 1 1 -5  7  12 o 361.2006 4.966994 11150.35       306.3684 10816.91       371.2810 11861.86       542.3500 355.6704 6.112982 372.1959 8.533087 -16.52545      10.49677 
1 1 1 -5  7  13 o 221.6448 3.873453 4197.311       146.6080 4252.055       148.9466 2494.873       830.6104 223.0842 3.909847 165.2649 30.55720 57.81926       30.80632 
1 1 1 -5  7  14 o 41.27454 9.659544 152.0151       66.87744 164.8616       100.2024 141.6958       89.80717 43.38721 12.70822 40.38056 12.08312 3.006653       17.53570 
1 1 1 -5  7  15 o 75.03863 3.513320 481.1432       45.01991 451.7213       49.28489 629.4052       110.6351 72.59048 3.991199 85.36099 7.671753 -12.77051      8.647859 
1 1 1 -5  7  16 o 374.5099 5.476048 12002.46       350.2132 11571.99       425.3130 12908.96       617.1965 367.5146 6.776917 387.5734 9.325402 -20.05881      11.52778 
1 1 1 -5  7  17 o 68.24615 4.149966 399.7680       48.13465 373.8540       54.97657 484.8750       99.63074 65.91527 4.919606 74.73039 7.928270 -8.815125      9.330594 
1 1 1 -5  7  18 o 231.2279 4.290375 4574.403       169.4094 4327.096       206.4463 5084.268       296.4262 224.7603 5.378802 243.3388 7.133512 -18.57846      8.934120 
1 1 1 -5  7  19 o 50.59625 4.889095 221.2712       41.71604 229.6108       46.95031 190.0003       90.91468 51.47903 5.422344 45.90202 11.59490 5.577015       12.80014 
1 1 1 -5  7  20 o 171.4131 3.964408 2514.528       116.0444 2470.536       141.8770 2603.443       201.7012 169.8052 4.892819 174.0326 6.786969 -4.227417      8.366757 
1 1 1 -5  7  21 o 89.57362 3.801579 686.6985       58.14951 620.1269       72.11497 810.4358       98.31753 84.90243 4.995992 96.96104 5.966854 -12.05862      7.782241 
1 1 1 -5  7  22 o 162.0022 3.844007 2246.921       106.3425 2077.076       132.2451 2557.717       178.8921 155.6171 4.976459 172.4957 6.073109 -16.87856      7.851611 
1 1 1 -5  7  23 o 67.83386 16.03159 428.2731       182.7661 194.8637       281.7779 597.7834       240.1297 54.12129 21.11327 79.70287 18.06072 -25.58158      27.78416 
1 1 1 -5  7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7  25 o 78.94214 3.860596 533.9055       52.04334 414.7217       64.58296 754.6382       87.89066 69.23981 5.507630 93.52629 5.527650 -24.28648      7.803134 
1 1 1 -5  7  26 o 102.0968 3.900544 893.7561       68.00477 927.7206       89.70011 847.8478       104.2861 103.8707 5.057058 98.93571 6.204039 4.935005       8.003995 
1 1 1 -5  7  27 o 129.3421 4.084123 1436.986       90.20707 1479.515       116.4805 1373.256       142.5865 130.9978 5.206996 125.6497 6.669186 5.348061       8.461138 
1 1 1 -5  7  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7  29 o 14.88651 7.082851 -60.09373      49.29686 -55.11279      55.58463 -78.44876      106.7029 16.48492 7.745133 23.65819 10.98803 -7.173262      13.44336 
1 1 1 -5  7  30 o 105.7727 4.477117 967.8142       80.86745 953.2342       106.8874 987.3309       123.6663 104.2631 6.029088 105.6974 6.889150 -1.434341      9.154796 
1 1 1 -5  7  31 o 29.62459 10.03984 77.82393       60.51186 106.1841       77.38661 33.19749       97.07510 33.92019 11.35445 28.51176 11.92001 5.408430       16.46238 
1 1 1 -5  7  32 o 22.56046 9.231317 23.57714       56.54750 79.46531       67.97330 -102.0310      101.9031 29.97346 10.61518 21.40584 10.18430 8.567617       14.71061 
1 1 1 -5  7  33 o 27.10139 11.16900 40.45387       83.51844 60.32024       96.56123 -18.54557      166.4054 29.88078 12.12541 31.10950 14.17956 -1.228720      18.65705 
1 1 1 -5  7  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  8  1  o 516.6526 6.875216 22824.42       606.5783 22369.01       858.1560 23279.13       857.5068 511.0850 9.832664 521.4099 9.630669 -10.32489      13.76340 
1 1 1 -5  8  2  o 497.1160 6.425827 21127.07       545.4924 20498.41       763.4496 21782.76       779.6925 489.3469 9.136116 504.4562 9.051029 -15.10934      12.86039 
1 1 1 -5  8  3  o 253.0399 4.125605 5469.892       178.2702 5525.771       255.9651 5417.256       248.4279 254.2594 5.895244 251.7558 5.778553 2.503647       8.255033 
1 1 1 -5  8  4  o 86.42692 3.399443 638.0089       50.17169 642.1633       71.25252 633.9234       70.65818 86.55672 4.839949 85.99828 4.830959 0.5584488      6.838368 
1 1 1 -5  8  5  o 600.0928 8.523103 30818.37       873.4099 30490.11       1235.348 31146.45       1235.028 596.1843 12.13408 602.5974 12.00184 -6.413086      17.06693 
1 1 1 -5  8  6  o 182.3878 3.296871 2841.297       102.6832 2839.614       144.8544 2842.996       145.5804 182.3018 4.653060 182.4098 4.673613 -0.1079712     6.594970 
1 1 1 -5  8  7  o 35.18002 6.592949 109.2788       38.15221 175.1251       50.26868 19.81649       58.59382 44.74945 6.791538 23.44434 9.469202 21.30511       11.65293 
1 1 1 -5  8  8  o 260.0468 3.718011 5776.740       165.1064 5817.268       235.0356 5737.256       231.9858 260.8941 5.275547 259.0952 5.243244 1.798889       7.437943 
1 1 1 -5  8  9  o 247.4468 3.771105 5230.705       159.3501 5814.898       228.3393 4676.084       222.4849 260.8421 5.126265 233.8893 5.570425 26.95282       7.570220 
1 1 1 -5  8  10 o 443.1630 6.045179 16792.44       457.4826 16646.58       567.2787 17063.74       773.6888 441.0619 7.531735 446.1540 10.15499 -5.092102      12.64322 
1 1 1 -5  8  11 f 139.9000 4.496679 1672.542       107.4265 1688.995       127.6942 1632.696       198.7172 140.5625 5.319852 137.8147 8.485045 2.747864       10.01483 
1 1 1 -5  8  12 o 391.1447 7.429122 13097.39       496.2230 9621.997       1260.024 13735.35       539.8495 331.0586 22.42023 400.4899 7.893675 -69.43137      23.76925 
1 1 1 -5  8  13 o 156.7602 4.743606 2100.830       126.9832 2085.936       184.4090 2114.260       175.1141 156.0928 6.918265 157.1723 6.524442 -1.079437      9.509507 
1 1 1 -5  8  14 o 194.1709 4.956000 3224.376       164.3302 2882.294       232.2312 3567.441       232.5651 183.3979 7.415225 204.1050 6.672507 -20.70703      9.975365 
1 1 1 -5  8  15 o 102.4120 5.035124 897.2984       88.05682 860.2917       117.8646 944.0476       132.4741 99.94962 6.948784 104.6601 7.461067 -4.710487      10.19574 
1 1 1 -5  8  16 o 55.20177 7.213870 265.8429       66.37578 248.0374       100.1479 279.7918       88.64091 52.57439 11.47691 56.23768 9.573040 -3.663284      14.94532 
1 1 1 -5  8  17 f 50.71291 7.504117 225.6701       63.02397 191.3905       88.00957 261.7516       90.29300 46.11266 11.27148 54.20663 10.12677 -8.093971      15.15248 
1 1 1 -5  8  18 o 165.2083 4.938371 2337.701       139.3213 2137.236       196.7334 2539.380       197.3281 157.6747 7.306581 171.9597 6.719862 -14.28503      9.926867 
1 1 1 -5  8  19 o 240.6084 4.191901 4955.676       172.2359 4785.978       211.7061 5287.869       296.2032 236.2822 5.246872 247.9781 6.994786 -11.69595      8.743953 
1 1 1 -5  8  20 o 164.2186 3.866665 2308.204       108.4329 2167.458       133.2899 2583.622       186.4552 159.0149 4.908599 173.3919 6.297144 -14.37701      7.984258 
1 1 1 -5  8  21 o 163.6696 3.666198 2292.784       102.4674 2243.754       125.0360 2393.048       178.8033 161.8075 4.525166 166.8196 6.276627 -5.012177      7.737775 
1 1 1 -5  8  22 o 155.6413 14.30870 2167.336       376.0420 2096.877       431.6323 2389.247       766.0068 151.7025 16.95152 152.2835 30.51936 -0.5810089     34.91111 
1 1 1 -5  8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  8  24 o 71.68569 4.696696 442.8016       57.17675 463.0126       69.34745 399.8936       101.0428 73.17394 5.592072 67.25850 9.025121 5.915443       10.61716 
1 1 1 -5  8  25 o 61.53010 4.903175 327.2924       51.09129 318.2984       61.26514 347.8306       92.58035 60.48436 6.011183 62.59917 8.912253 -2.114811      10.75000 
1 1 1 -5  8  26 o 19.79728 8.003716 15.40246       41.90366 25.88242       46.17976 -33.45396      99.70863 21.84194 8.539919 25.34691 11.31372 -3.504969      14.17499 
1 1 1 -5  8  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  8  28 o 54.82693 6.062371 264.4061       55.80977 314.8314       65.66842 133.2605       105.9032 59.74844 6.543156 38.75798 13.28121 20.99046       14.80552 
1 1 1 -5  8  29 o 39.08518 7.486373 139.0099       48.14786 144.0706       55.05203 122.5444       99.30128 39.54163 8.411566 37.06229 12.85173 2.479340       15.35974 
1 1 1 -5  8  30 o 37.77572 8.186253 132.2636       51.28311 143.0045       59.81197 102.4509       99.64827 39.02390 9.136555 34.75970 12.78000 4.264198       15.71003 
1 1 1 -5  8  31 o 19.56362 8.256557 8.130074       47.27501 20.42626       53.34158 -36.89153      102.0684 21.83327 8.953478 24.49776 11.14240 -2.664494      14.29398 
1 1 1 -5  8  32 o 53.92844 7.645034 267.8170       68.43301 228.8810       86.59235 332.5880       111.6847 48.12088 10.80250 57.61950 11.74900 -9.498623      15.96036 
1 1 1 -5  8  33 o 21.86666 9.413507 8.172477       63.62196 19.14571       78.95264 -12.14853      107.4415 24.70737 10.55759 25.85619 11.62726 -1.148823      15.70528 
1 1 1 -5  9  1  o 533.0087 7.298527 24301.77       664.3109 24121.85       939.9538 24481.32       939.0019 530.5354 10.37505 534.4905 10.28785 -3.955078      14.61101 
1 1 1 -5  9  2  o 201.4168 3.822263 3465.628       131.4674 3455.729       187.1779 3475.267       184.6930 201.0767 5.451187 201.6476 5.363589 -0.5709076     7.647452 
1 1 1 -5  9  3  o 184.1239 3.685459 2895.987       115.8787 3033.231       164.8738 2762.011       162.8986 188.3950 5.124841 179.7691 5.306406 8.625885       7.377122 
1 1 1 -5  9  4  o 207.4716 3.987813 3677.325       141.2848 3547.837       196.3471 3816.360       203.4562 203.7290 5.643774 211.2984 5.638619 -7.569366      7.977858 
1 1 1 -5  9  5  o 402.2695 5.139577 13829.87       353.0583 14546.03       501.3207 13125.14       497.3031 412.3740 7.119057 391.6833 7.435053 20.69064       10.29374 
1 1 1 -5  9  6  o 327.2035 4.680300 9148.714       261.5132 8870.222       438.0521 9302.930       325.9755 321.9372 7.968061 329.8790 5.786664 -7.941833      9.847613 
1 1 1 -5  9  7  o 495.8212 6.064843 21020.25       513.5073 21043.61       726.8707 20996.97       725.5489 495.7441 8.586134 495.1954 8.580017 0.5487366      12.13830 
1 1 1 -5  9  8  o 294.9335 4.340058 7432.797       218.5856 7341.636       309.5482 7523.463       308.7069 293.0036 6.186618 296.6166 6.094653 -3.612976      8.684414 
1 1 1 -5  9  9  f 59.70176 4.327554 306.1774       43.82006 336.0003       60.90549 274.1725       63.09430 62.41982 5.779479 56.21468 6.704914 6.205139       8.852019 
1 1 1 -5  9  10 o 313.1764 5.805793 8388.021       310.4935 8742.744       444.4446 8049.848       433.9516 319.4773 8.146588 306.5386 8.289992 12.93866       11.62286 
1 1 1 -5  9  11 o 211.1874 4.661190 3812.687       168.0996 3944.304       228.6957 3658.008       247.9243 214.6994 6.237710 206.7011 7.023838 7.998352       9.393791 
1 1 1 -5  9  12 o 267.4448 4.999301 6116.905       228.3207 6228.467       280.6383 5898.495       392.6695 269.7686 6.091912 262.1937 8.770069 7.574890       10.67827 
1 1 1 -5  9  13 o 218.0043 5.100773 4065.673       189.8904 4109.349       271.8111 4024.035       265.3949 218.9566 7.269547 216.6829 7.172425 2.273651       10.21225 
1 1 1 -5  9  14 o 120.4738 5.372011 1242.337       110.5176 1125.039       155.0641 1363.437       157.5567 114.1971 8.002157 125.8592 7.362856 -11.66212      10.87411 
1 1 1 -5  9  15 o 97.08567 5.532660 809.8976       91.34589 825.8450       128.0366 793.3661       130.3599 97.75023 7.733481 95.74729 8.047523 2.002937       11.16107 
1 1 1 -5  9  16 o 145.6091 5.602960 1816.980       139.3183 1671.115       200.0255 1954.413       194.1571 139.0641 8.463294 150.6005 7.573776 -11.53644      11.35735 
1 1 1 -5  9  17 o 31.00450 9.406033 83.50278       54.14664 93.16277       81.47387 75.86094       72.46517 34.08950 11.64926 31.34695 10.97248 2.742546       16.00314 
1 1 1 -5  9  18 o 145.3550 4.883479 1810.392       121.2164 1736.083       178.7734 1873.628       164.9157 141.8258 7.407221 147.6645 6.540094 -5.838684      9.881283 
1 1 1 -5  9  19 o 65.56921 5.952799 372.2216       65.92712 385.5601       97.97007 361.1826       89.12622 66.19929 8.891150 64.15429 8.332104 2.044998       12.18509 
1 1 1 -5  9  20 o 124.0740 5.161954 1320.775       109.3696 1146.391       157.3368 1483.825       152.1381 114.9228 8.068325 131.1021 6.819116 -16.17924      10.56401 
1 1 1 -5  9  21 o 115.9041 18.73776 1250.202       358.2125 1183.168       432.4710 1396.698       639.3270 110.1234 23.69941 114.8884 31.59976 -4.764938      39.49945 
1 1 1 -5  9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  9  23 o 87.34859 3.917844 653.6771       58.43930 588.1110       69.91405 805.7105       106.4619 82.61838 4.978739 96.47666 6.499919 -13.85828      8.187600 
1 1 1 -5  9  24 o 170.6762 4.130571 2497.851       120.3885 2319.864       144.2029 2907.245       218.7011 164.2917 5.139920 183.4102 6.982737 -19.11850      8.670489 
1 1 1 -5  9  25 o 78.39706 4.967820 530.9407       66.16328 471.2403       74.33391 758.6012       145.1585 73.64461 5.961926 92.57050 9.308852 -18.92590      11.05438 
1 1 1 -5  9  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  9  27 o 105.0618 4.543157 951.8710       81.50878 885.3045       98.47618 1096.686       145.2479 100.8694 5.740764 111.5129 7.674228 -10.64359      9.583848 
1 1 1 -5  9  28 o 49.52522 6.547831 218.0924       54.01868 259.9723       62.55645 95.30799       107.1127 54.01748 6.942329 35.00578 13.17648 19.01170       14.89348 
1 1 1 -5  9  29 o 60.26795 5.904455 320.4101       59.98656 312.7554       71.68755 338.2878       109.5560 59.06066 7.260859 59.67030 11.16200 -0.6096382     13.31579 
1 1 1 -5  9  30 o 36.43829 8.593699 124.9181       52.60556 66.57979       58.60139 367.0409       119.3848 27.95850 9.861118 61.24016 11.84427 -33.28165      15.41196 
1 1 1 -5  9  31 o 65.25759 6.554907 382.8947       72.05904 411.3853       79.97646 259.9958       166.1063 67.40207 7.052880 48.06701 16.62438 19.33506       18.05860 
1 1 1 -5  9  32 o 32.66273 10.48654 103.6913       66.30971 48.48975       76.98818 262.3105       130.5048 27.10028 10.88638 48.62781 14.56927 -21.52753      18.18727 
1 1 1 -5  10 1  o 322.1967 4.310347 8870.631       237.1567 8801.135       336.3767 8939.317       334.4123 320.8029 6.140245 323.3184 6.056892 -2.515503      8.624880 
1 1 1 -5  10 2  o 439.2596 5.837713 16498.17       437.8909 15943.79       619.3509 17052.26       619.1918 431.4857 8.405595 446.2762 8.124928 -14.79050      11.69053 
1 1 1 -5  10 3  o 184.5816 3.849531 2910.857       121.3384 2905.555       175.3558 2915.727       168.0726 184.3503 5.570246 184.6830 5.329275 -0.3326416     7.709008 
1 1 1 -5  10 4  o 177.4570 3.204517 2689.988       97.10859 2694.366       142.1642 2686.158       132.9617 177.5566 4.688691 177.2962 4.391624 0.2603760      6.424188 
1 1 1 -5  10 5  o 320.6317 4.220940 8784.748       231.1094 9050.328       328.3824 8524.106       325.3152 325.3184 5.911114 315.7087 6.034147 9.609619       8.447022 
1 1 1 -5  10 6  o 77.32276 4.619317 512.8214       60.71512 494.6960       86.82448 530.1666       84.93501 75.73396 6.785453 78.46468 6.394466 -2.730721      9.323710 
1 1 1 -5  10 7  f 219.8879 4.018686 4131.674       150.8993 4271.879       216.7143 3999.721       210.2407 223.4975 5.678229 216.2600 5.692966 7.237503       8.040656 
1 1 1 -5  10 8  o 76.58710 4.362742 502.9690       56.82191 531.1737       75.77911 466.7420       85.88251 78.60014 5.684118 73.51586 6.922556 5.084274       8.957174 
1 1 1 -5  10 9  o 441.5882 9.254141 16735.81       697.8394 14316.09       1868.669 17127.96       752.2629 399.5969 27.55310 446.5752 9.864454 -46.97833      29.26569 
1 1 1 -5  10 10 o 225.1459 4.138270 4333.099       159.1054 4333.811       225.6718 4332.394       224.3520 225.0336 5.872565 224.9998 5.839100 0.3385925E-01  8.281432 
1 1 1 -5  10 11 o 189.4515 3.638247 3067.609       117.7043 3151.325       145.4700 2908.884       200.3038 191.9727 4.437436 184.2965 6.364586 7.676224       7.758789 
1 1 1 -5  10 12 o 60.47493 4.446790 314.4795       45.60022 322.3455       51.67294 286.7903       96.94872 61.17566 4.989789 56.82869 10.37236 4.346970       11.51017 
1 1 1 -5  10 13 o 381.0129 7.252002 12459.50       471.8452 12039.47       666.3480 12881.92       668.2358 373.4995 10.44742 386.4713 10.12536 -12.97189      14.54894 
1 1 1 -5  10 14 o 103.5760 5.817989 922.3580       102.4877 720.7510       139.4635 1159.061       151.1158 91.01255 9.095191 115.8766 7.680352 -24.86404      11.90421 
1 1 1 -5  10 15 o 50.60091 7.854991 225.3936       65.67368 237.1432       91.04559 212.6489       94.82274 51.40474 10.71895 48.54517 11.59727 2.859570       15.79217 
1 1 1 -5  10 16 o 106.5305 5.057364 972.4185       92.00262 974.3207       132.8549 970.6658       127.5310 106.1746 7.373206 106.0231 7.084686 0.1514282      10.22531 
1 1 1 -5  10 17 o 149.9865 5.292980 1929.122       135.5671 1831.740       194.6634 2020.831       188.9078 145.5667 7.860190 153.2252 7.219676 -7.658478      10.67269 
1 1 1 -5  10 18 o 77.59953 6.281489 520.9290       82.52431 585.2305       115.3357 453.4757       118.1284 81.89182 8.364914 71.63275 9.923517 10.25906       12.97875 
1 1 1 -5  10 19 o 144.2667 5.092947 1785.570       125.4692 1599.682       182.0260 1953.837       173.1844 135.8809 7.878457 150.6436 6.732190 -14.76263      10.36303 
1 1 1 -5  10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  10 22 o 66.06324 6.754768 380.2320       75.13123 348.9947       116.7675 402.3003       98.14554 62.13050 11.42670 67.54280 8.712319 -5.412296      14.36920 
1 1 1 -5  10 23 o 108.0270 6.207784 1009.241       114.0359 913.9772       170.0275 1087.129       153.7417 101.7730 9.908959 111.6391 8.120049 -9.866135      12.81104 
1 1 1 -5  10 24 o 55.07937 10.66336 276.4934       96.67180 5.982387       136.3274 550.0997       137.1051 32.20482 13.82005 78.29612 10.52065 -46.09130      17.36887 
1 1 1 -5  10 25 o 205.1580 5.811368 3642.296       203.5957 3636.880       293.1545 3647.343       282.9712 203.5097 8.435472 204.0079 8.122568 -0.4981537     11.71039 
1 1 1 -5  10 26 o ?        ?        -297.6219      77.50523 -370.0294      147.7612 -270.1388      91.03355 20.55616 10.26558 15.34254 7.717299 5.213612       12.84285 
1 1 1 -5  10 27 o 19.23368 8.968654 -60.91932      72.22559 -85.11231      115.9125 -45.56451      92.34373 24.54557 11.41753 23.24631 10.58290 1.299257       15.56784 
1 1 1 -5  10 28 o 70.39542 8.155845 447.0260       96.22652 337.6831       136.0335 556.5342       136.1363 58.23515 13.87638 77.32525 10.58793 -19.09010      17.45446 
1 1 1 -5  10 29 o 51.02784 6.745506 234.1396       57.33833 179.2645       68.20325 366.4066       105.8871 43.52218 9.447842 62.21566 10.32870 -18.69348      13.99799 
1 1 1 -5  10 30 o 27.77483 9.407861 69.02150       53.13323 81.56258       63.26230 38.99107       97.89449 29.98466 10.26497 28.64662 11.97277 1.338034       15.77076 
1 1 1 -5  10 31 f 54.20498 10.08425 285.4467       89.90831 294.4920       155.7660 280.9275       110.1005 50.67369 16.05170 52.11537 12.52654 -1.441673      20.36102 
1 1 1 -5  10 32 f 41.45176 11.23058 177.0746       81.47069 396.9567       128.6664 29.91557       105.2601 61.33971 12.70159 28.02550 12.08639 33.31422       17.53314 
1 1 1 -5  11 1  o 341.1951 5.065025 9955.131       295.1116 10181.71       421.4172 9737.089       413.4000 344.7916 7.157374 337.1760 7.179792 7.615601       10.13792 
1 1 1 -5  11 2  o 163.2271 3.449396 2276.486       96.14733 2175.188       138.0922 2371.795       133.9482 159.4884 5.070350 166.5578 4.709447 -7.069427      6.920068 
1 1 1 -5  11 3  o 207.5926 4.173880 3683.417       147.9632 3556.931       210.4005 3807.177       208.1213 203.8802 6.043241 210.9501 5.777431 -7.069946      8.360590 
1 1 1 -5  11 4  o 172.5286 3.271192 2543.195       96.37603 2574.800       138.8417 2513.806       133.8860 173.5373 4.685166 171.4750 4.572273 2.062302       6.546485 
1 1 1 -5  11 5  o 168.8661 3.515947 2436.683       101.3881 2417.349       147.0658 2454.195       139.9662 168.1206 5.122581 169.4123 4.838118 -1.291718      7.046150 
1 1 1 -5  11 6  o 320.4615 4.515337 8780.431       247.0973 8918.064       350.3118 8644.146       348.5912 322.7476 6.356087 317.7430 6.424487 5.004517       9.037360 
1 1 1 -5  11 7  o 183.6389 6.091014 2886.989       191.0100 3048.530       203.1671 1657.073       560.5948 188.6889 6.305289 134.3251 25.36921 54.36385       26.14103 
1 1 1 -5  11 8  o 295.2773 4.941951 7458.378       249.1899 7550.684       428.9205 7411.349       306.1583 296.5627 8.469511 294.2019 6.093947 2.360840       10.43402 
1 1 1 -5  11 9  o 49.93482 4.306361 214.8113       36.36200 229.9364       52.78967 201.1564       50.15845 51.45223 6.128769 48.05771 6.260592 3.394524       8.761097 
1 1 1 -5  11 10 o 219.3868 4.260796 4116.484       159.6258 4086.088       198.0287 4172.874       269.7228 218.4736 5.307955 220.5449 7.161741 -2.071304      8.914310 
1 1 1 -5  11 11 o 410.4312 5.600858 14429.86       392.5517 15379.59       555.2147 13480.55       555.0894 423.1185 7.684171 395.9650 8.209264 27.15350       11.24449 
1 1 1 -5  11 12 o 74.49010 4.630797 476.7575       58.61394 439.8457       71.63340 551.5410       101.9613 71.38648 5.929891 79.75702 7.577268 -8.370537      9.621778 
1 1 1 -5  11 13 o 164.1942 4.825764 2308.599       135.3088 2173.239       191.3442 2443.991       191.3668 159.0474 7.045095 168.7218 6.641917 -9.674454      9.682377 
1 1 1 -5  11 14 o 118.8122 4.888429 1209.198       99.18185 1073.796       139.7780 1346.501       140.7558 111.4937 7.383323 125.0370 6.615666 -13.54338      9.913652 
1 1 1 -5  11 15 o 251.6187 5.918453 5434.394       254.3039 5444.546       363.3560 5424.646       356.0359 251.1608 8.471854 250.7508 8.314755 0.4100037      11.87045 
1 1 1 -5  11 16 o 258.4788 5.696498 5734.854       251.4402 5558.786       357.7029 5906.823       353.5145 253.7437 8.255154 261.6845 7.910926 -7.940781      11.43374 
1 1 1 -5  11 17 o 80.73484 5.330338 561.7402       73.07466 455.1167       107.5583 653.1467       99.58774 71.97174 8.944328 86.85331 6.767989 -14.88157      11.21636 
1 1 1 -5  11 18 o 163.2330 5.282835 2287.140       147.2574 2248.876       215.2943 2320.779       201.8609 161.3555 7.813523 164.0559 7.205404 -2.700439      10.62869 
1 1 1 -5  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  11 20 o 122.7222 5.218583 1293.155       109.3649 1504.713       162.1011 1116.404       148.1670 131.8521 7.226949 113.4046 7.696579 18.44752       10.55775 
1 1 1 -5  11 21 o 109.5969 6.439902 1038.652       119.9961 958.7618       165.8243 1126.474       173.8609 104.5351 9.389470 113.4766 9.047282 -8.941544      13.03900 
1 1 1 -5  11 22 o 237.9611 6.199517 4883.115       251.9218 4857.021       366.7296 4906.432       346.6595 235.9818 9.100507 237.4734 8.548429 -1.491577      12.48579 
1 1 1 -5  11 23 o 60.88249 9.664214 333.2166       97.11874 318.8161       166.5090 340.6416       119.5627 57.77509 16.21478 60.84822 11.93299 -3.073135      20.13245 
1 1 1 -5  11 24 o 82.68330 8.213853 605.0327       114.4407 530.9451       175.5958 659.7369       150.8869 74.84748 14.25904 85.43353 10.56779 -10.58604      17.74819 
1 1 1 -5  11 25 o 39.04161 11.78082 140.9662       85.10667 -43.22416      133.6381 266.6368       110.3859 28.83483 12.96704 53.01606 12.41183 -24.18124      17.94987 
1 1 1 -5  11 26 f 81.40830 6.917082 585.0610       95.24902 511.6925       143.7011 642.5535       127.2070 73.84859 11.79170 84.43631 8.959126 -10.58772      14.80912 
1 1 1 -5  11 27 o 88.68808 6.989509 697.2391       104.9977 571.0956       148.5572 823.1516       148.4211 77.80245 11.53050 95.14417 9.252089 -17.34172      14.78356 
1 1 1 -5  11 28 o 80.73824 7.318541 584.6989       99.80678 762.0078       166.4610 485.1804       124.7094 89.63445 11.11353 71.71323 10.49406 17.92123       15.28515 
1 1 1 -5  11 29 o 29.42862 11.11971 69.23658       76.45377 49.49744       121.2908 82.24979       98.48180 31.47614 13.25136 32.22844 12.50708 -0.7523003     18.22157 
1 1 1 -5  11 30 o 51.53263 11.55605 267.1665       99.18468 461.0087       156.0111 135.6701       128.4956 65.73464 14.30466 37.72933 14.37741 28.00531       20.28135 
1 1 1 -5  11 31 o 17.20291 8.300380 -95.98428      73.15582 -60.05117      117.5883 -118.6746      93.44091 24.58895 11.45839 19.32548 9.338295 5.263477       14.78169 
1 1 1 -5  12 1  o 176.9443 3.867716 2676.745       116.8673 2789.185       169.9303 2575.833       160.9830 180.5021 5.512985 173.4677 5.434502 7.034439       7.741241 
1 1 1 -5  12 2  o 356.1909 5.166753 10857.62       314.2697 10413.78       445.5020 11297.26       443.3942 348.3956 7.488159 362.9495 7.153885 -14.55383      10.35619 
1 1 1 -5  12 3  o 224.7592 3.671852 4318.315       140.9304 4197.583       201.6795 4433.525       197.0137 221.4516 5.333115 227.6174 5.068612 -6.165756      7.357509 
1 1 1 -5  12 4  o 177.6319 3.247945 2696.613       98.52160 2677.451       143.4343 2713.729       135.5601 176.9059 4.747977 178.1215 4.456703 -1.215561      6.511950 
1 1 1 -5  12 5  o 90.49198 6.658681 705.7700       102.1736 681.3864       117.5267 781.2351       206.7576 88.74434 7.835699 94.02731 13.24365 -5.282974      15.38806 
1 1 1 -5  12 6  o 56.94411 4.039914 278.6876       39.02966 268.5059       58.13118 287.0446       52.66528 55.63167 6.225808 57.64883 5.413124 -2.017166      8.250006 
1 1 1 -5  12 7  o 413.7332 5.516785 14660.41       389.7699 14008.65       552.2067 15307.53       550.2344 403.7469 8.009226 422.1746 7.632269 -18.42767      11.06342 
1 1 1 -5  12 8  o 155.9177 3.573112 2078.542       95.13580 2076.363       135.1930 2080.679       133.9010 155.7267 5.083809 155.8930 5.029855 -0.1663208     7.151542 
1 1 1 -5  12 9  o 158.5683 3.220073 2149.422       87.19347 2177.365       121.5841 2119.835       125.1119 159.5082 4.463667 157.3710 4.655561 2.137146       6.449696 
1 1 1 -5  12 10 o 138.8116 3.416423 1647.563       80.98399 1459.261       116.1639 1825.622       112.9606 130.5152 5.212044 146.0414 4.529488 -15.52617      6.905190 
1 1 1 -5  12 11 o 163.1895 3.348992 2277.148       93.32720 2285.859       133.0068 2268.699       130.9857 163.3789 4.767336 162.7700 4.712458 0.6089172      6.703339 
1 1 1 -5  12 12 f 141.1471 3.387259 1703.784       81.64365 1733.411       113.3164 1671.802       117.7333 142.2667 4.664314 139.6901 4.935507 2.576538       6.790807 
1 1 1 -5  12 13 o 81.79062 4.037633 572.6082       56.39392 577.2142       66.26151 560.5054       107.4100 81.94298 4.755757 80.25616 7.941481 1.686821       9.256583 
1 1 1 -5  12 14 o 128.5402 5.027349 1416.579       110.3519 1398.482       159.0171 1433.391       153.2642 127.2123 7.351357 128.8684 6.990694 -1.656090      10.14457 
1 1 1 -5  12 15 o 86.93661 5.271320 650.8015       77.88747 675.7097       114.3835 629.2678       106.3534 88.18436 7.672187 85.13201 7.388997 3.052353       10.65175 
1 1 1 -5  12 16 o 98.24709 5.019235 830.1770       83.92809 748.4734       117.5294 915.1960       119.8902 92.85188 7.475654 102.8553 6.865269 -10.00337      10.14974 
1 1 1 -5  12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  12 19 o 150.5684 5.369671 1947.761       138.0649 1913.622       197.1187 1980.637       193.4399 148.5379 7.798485 151.3932 7.482342 -2.855377      10.80749 
1 1 1 -5  12 20 o 29.43433 11.44602 49.57415       82.61073 -2.208926      124.8678 89.88188       110.1668 30.65656 13.19271 35.83908 13.38784 -5.182524      18.79579 
1 1 1 -5  12 21 o 131.0881 6.098757 1482.399       136.5233 1429.112       212.7162 1519.724       178.0280 127.3142 9.861039 132.0373 7.932476 -4.723076      12.65560 
1 1 1 -5  12 22 o 150.2473 5.687340 1948.852       145.9211 1813.932       212.8980 2068.390       200.3960 143.6497 8.720163 154.1179 7.614374 -10.46815      11.57670 
1 1 1 -5  12 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  12 24 o 29.00527 11.69880 41.81165       89.29890 -84.46177      126.2852 168.0950       126.2902 26.04280 12.04562 42.89113 14.50428 -16.84833      18.85394 
1 1 1 -5  12 25 f 109.5822 6.234204 1051.548       116.1781 1238.664       185.0455 929.8016       149.2627 117.2140 9.321802 101.8403 8.665174 15.37371       12.72719 
1 1 1 -5  12 26 o 56.92688 9.744847 300.9467       91.32516 172.4974       155.4069 368.7036       112.8706 43.29982 15.95389 62.52252 10.97182 -19.22270      19.36253 
1 1 1 -5  12 27 o 88.82686 6.605539 700.9314       99.48023 725.4147       150.1317 681.7674       132.8252 88.12143 10.16306 86.07872 9.177652 2.042709       13.69368 
1 1 1 -5  12 28 o 70.10667 7.671489 447.9165       90.34319 344.2073       138.7341 524.2759       119.0435 57.10411 14.26776 74.67523 9.554343 -17.57112      17.17133 
1 1 1 -5  12 29 o 28.53568 11.80574 45.02179       93.81045 93.98644       148.7578 12.69191       120.8761 35.73077 14.83131 28.92172 12.70398 6.809044       19.52841 
1 1 1 -5  12 30 o 28.11697 11.08643 59.86012       78.40212 3.979904       124.7715 96.32002       100.7846 28.33419 12.65091 32.81158 12.67504 -4.477388      17.90816 
1 1 1 -5  13 1  o 16.94648 7.308246 -4.138039      38.48381 43.52679       54.49364 -51.56114      54.35527 25.47494 9.435589 16.67524 7.777249 8.799700       12.22767 
1 1 1 -5  13 2  o 198.2459 3.691687 3361.035       124.9772 3351.293       179.3831 3370.223       174.2190 197.7899 5.310989 198.3681 5.143064 -0.5781708     7.393085 
1 1 1 -5  13 3  o 172.2824 4.249434 2539.667       125.0184 2204.235       213.2319 2715.370       154.3261 160.1003 7.799347 178.0617 5.075363 -17.96138      9.305327 
1 1 1 -5  13 4  o 163.3477 5.292894 2285.853       147.6414 2214.936       155.6379 2923.273       466.6071 160.7543 5.669580 181.9771 15.15300 -21.22276      16.17892 
1 1 1 -5  13 5  o 167.8830 3.792309 2410.717       108.7207 2341.759       178.9620 2451.054       136.8737 165.2046 6.343613 169.1987 4.737193 -3.994110      7.917223 
1 1 1 -5  13 6  o 304.5447 4.546173 7939.604       236.4280 7768.535       336.4364 8106.512       332.3210 300.8279 6.549119 307.3559 6.331612 -6.527985      9.109351 
1 1 1 -5  13 7  o 126.6572 3.251762 1371.599       70.33161 1302.949       101.8632 1434.141       97.22659 123.3445 4.836101 129.4391 4.398632 -6.094589      6.537265 
1 1 1 -5  13 8  o 130.2573 3.194736 1450.693       71.06226 1544.256       105.3101 1372.474       96.28914 134.2935 4.592118 126.6147 4.453396 7.678810       6.396896 
1 1 1 -5  13 9  o 76.08262 4.058573 496.8150       52.53988 468.2906       77.17172 521.4594       71.73141 73.59856 6.197954 77.79706 5.433505 -4.198502      8.242427 
1 1 1 -5  13 10 o 103.0683 3.374102 908.5969       59.38613 920.2003       83.63751 896.7989       84.33618 103.6384 4.725835 102.3046 4.827440 1.333801       6.755568 
1 1 1 -5  13 11 o 52.22451 4.067191 234.8909       35.98590 259.6832       49.08073 206.0691       52.91925 54.77169 5.314388 48.53124 6.552994 6.240456       8.437088 
1 1 1 -5  13 12 o 300.5795 4.749336 7743.603       243.7778 7667.262       344.8962 7819.819       344.6117 298.5112 6.765906 301.4909 6.693509 -2.979767      9.517381 
1 1 1 -5  13 13 o 210.2687 4.050263 3786.098       145.4319 3701.294       180.7009 3942.033       245.0340 207.7240 5.094152 214.0117 6.704816 -6.287704      8.420507 
1 1 1 -5  13 14 o 204.2042 5.213000 3578.662       181.7835 3500.685       258.9266 3654.455       255.2736 201.4108 7.528216 205.8625 7.261506 -4.451767      10.45961 
1 1 1 -5  13 15 o 32.43448 14.93467 -129.4952      190.9766 -91.61199      212.5799 -287.9785      434.8012 36.00960 16.25885 47.68045 22.15699 -11.67085      27.48240 
1 1 1 -5  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  13 17 o 68.83774 7.006455 412.8783       81.21389 480.2009       138.3441 377.4780       100.3191 73.18795 11.44408 65.29090 9.256880 7.897049       14.71926 
1 1 1 -5  13 18 o 85.74876 6.914515 638.5861       100.3885 457.2444       130.3876 902.5634       157.3152 71.43261 11.04540 101.4588 9.179261 -30.02618      14.36175 
1 1 1 -5  13 19 o 89.17360 7.384207 692.9854       111.4338 566.8589       183.4008 766.7974       140.3014 78.42573 14.21789 93.42105 8.902277 -14.99532      16.77495 
1 1 1 -5  13 20 o 67.51948 9.932706 408.7500       111.1021 381.9679       171.8297 427.9908       145.6420 63.28304 15.91577 68.06293 13.00482 -4.779884      20.55328 
1 1 1 -5  13 21 o 110.1837 6.131960 1054.488       114.9199 1188.291       171.5301 945.5165       154.7974 116.0083 8.722477 103.3598 8.855730 12.64849       12.43003 
1 1 1 -5  13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  13 23 o 42.40290 11.27069 169.2660       83.01064 160.4267       128.3599 175.6204       108.8318 42.15575 14.61200 43.14302 13.38078 -0.9872665     19.81302 
1 1 1 -5  13 24 o 48.81683 10.32378 223.4589       83.37271 13.39564       128.0518 378.0334       109.8448 30.91392 13.33145 63.81530 10.44099 -32.90137      16.93346 
1 1 1 -5  13 25 o 40.27822 11.32696 155.5826       81.16862 203.2117       126.2584 122.0316       105.9685 45.28579 14.46291 37.06685 13.24042 8.218945       19.60827 
1 1 1 -5  13 26 o 94.08170 6.753403 788.1100       107.7781 1077.702       175.5918 613.0541       136.5210 107.9105 9.629996 80.88999 10.10366 27.02053       13.95782 
1 1 1 -5  13 27 o 56.21629 10.02083 302.8334       92.67107 187.8050       158.1360 362.9985       114.3670 42.81667 16.03091 60.71571 11.45046 -17.89904      19.70033 
1 1 1 -5  13 28 o 89.66123 6.649384 722.8780       101.0840 808.4669       153.1341 656.7850       134.5677 92.15350 9.885401 83.18882 9.652069 8.964684       13.81606 
1 1 1 -5  13 29 o 99.55982 6.369173 893.4233       107.7177 1092.566       162.2553 736.4872       144.0383 107.5033 8.918973 87.26443 9.837466 20.23891       13.27870 
1 1 1 -5  14 1  o 110.5983 4.513366 1047.549       85.24150 1036.707       109.2338 1064.432       136.3139 109.7592 5.849023 110.9955 7.231206 -1.236237      9.300614 
1 1 1 -5  14 2  o 84.86781 10.90696 635.4583       154.4116 698.1835       202.4603 548.2400       238.7386 88.19844 13.90285 76.77290 18.44118 11.42554       23.09472 
1 1 1 -5  14 3  o 159.8779 4.095819 2187.915       111.8230 2054.370       184.8889 2264.941       140.4161 154.5522 7.005413 162.5618 5.058209 -8.009506      8.640676 
1 1 1 -5  14 4  o 78.73151 4.400169 532.4445       58.92214 481.6162       84.81295 579.8635       81.91934 74.55270 6.734590 81.98762 5.890341 -7.434914      8.947112 
1 1 1 -5  14 5  o 167.9897 3.518045 2414.106       100.9220 2381.721       147.4063 2442.681       138.4636 166.6758 5.178947 168.8436 4.802297 -2.167786      7.062829 
1 1 1 -5  14 6  f 76.23380 4.360998 499.2962       56.53646 488.8111       81.48528 509.0289       78.50712 75.15450 6.410544 76.76067 6.037932 -1.606171      8.806345 
1 1 1 -5  14 7  o 107.7078 3.529106 992.5160       64.91032 1200.174       95.82545 816.4427       88.23743 118.3451 4.741639 97.42015 5.324143 20.92498       7.129491 
1 1 1 -5  14 8  o 138.6447 3.231694 1644.120       76.51302 1622.192       110.9449 1664.008       105.6600 137.5814 4.722215 139.3733 4.439447 -1.791916      6.481358 
1 1 1 -5  14 9  o 145.4564 3.221514 1809.724       80.01929 1853.714       115.6601 1769.336       110.8236 147.0769 4.605080 143.7005 4.516186 3.376343       6.450015 
1 1 1 -5  14 10 o 175.1370 3.592662 2625.015       107.4475 2662.872       154.8437 2589.859       149.2196 176.1814 5.146733 173.7679 5.028685 2.413513       7.195591 
1 1 1 -5  14 11 o 87.62291 3.531217 657.0795       52.83771 742.8998       75.79168 575.9310       73.69983 92.95680 4.790909 81.74492 5.308376 11.21188       7.150641 
1 1 1 -5  14 12 o 145.7703 11.75437 1873.904       290.1102 1952.980       393.1042 1779.325       429.9186 146.9399 15.92094 138.7971 18.60703 8.142731       24.48873 
1 1 1 -5  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  14 15 o 47.02188 8.821212 197.9001       68.23023 190.9632       109.3879 202.3177       87.29254 45.88103 13.23204 47.15539 11.03583 -1.274361      17.23011 
1 1 1 -5  14 16 o 109.4073 5.653483 1032.123       105.2636 963.1950       151.6983 1096.131       146.1851 105.0191 8.532617 112.3070 7.668278 -7.287971      11.47205 
1 1 1 -5  14 17 o 35.86638 11.82554 109.6658       84.03189 238.9303       127.3821 10.06975       111.8124 50.82772 14.15316 29.80547 12.64481 21.02226       18.97902 
1 1 1 -5  14 18 o 26.56320 11.05904 17.60178       83.06404 202.1362       130.7788 -107.1815      107.5417 47.06688 14.67962 22.88486 10.75878 24.18202       18.20007 
1 1 1 -5  14 19 o 63.08841 9.412498 357.4617       98.30161 449.2729       168.5737 310.1547       121.0054 68.77617 14.79245 57.63840 12.64179 11.13777       19.45845 
1 1 1 -5  14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  14 21 o 139.0674 5.985808 1679.656       142.1510 1689.011       201.4465 1670.378       200.6199 137.9874 8.591681 137.2128 8.605604 0.7745972      12.16032 
1 1 1 -5  14 22 o 120.0480 5.820211 1253.721       119.3152 1343.973       177.2392 1178.924       161.3518 122.7519 8.507800 115.0725 8.266161 7.679398       11.86221 
1 1 1 -5  14 23 o 43.54457 11.80196 182.3673       89.95193 22.95979       126.7041 344.3528       127.7245 31.23954 13.36230 59.46984 12.94440 -28.23030      18.60400 
1 1 1 -5  14 24 o 34.11648 11.48086 106.0205       79.12353 118.9274       125.0411 97.40119       102.1830 37.56710 14.21448 34.43688 12.88779 3.130219       19.18715 
1 1 1 -5  14 25 o 119.0178 5.828055 1245.731       118.4507 1476.006       175.5433 1053.243       160.4953 127.6264 8.096485 107.1320 8.852156 20.49435       11.99640 
1 1 1 -5  14 26 o 27.38211 10.95550 48.14014       77.62720 69.91544       123.0311 33.73748       100.0585 32.83467 13.54673 28.42095 12.00419 4.413729       18.10013 
1 1 1 -5  14 27 o 76.28210 7.801733 535.1738       100.1984 800.3704       168.8512 391.0289       124.4858 90.25864 11.19537 62.01635 12.18932 28.24229       16.55040 
1 1 1 -5  14 28 f 52.21069 10.79220 274.4501       93.04150 252.5988       161.7299 285.2594       113.7496 45.89460 16.36106 51.55733 12.94004 -5.662727      20.85975 
1 1 1 -5  15 1  o 107.3932 4.439405 988.1671       81.41482 980.5061       106.4002 998.9883       126.4554 106.6806 5.863063 107.4962 6.925641 -0.8155518     9.074140 
1 1 1 -5  15 2  o 150.2560 4.695636 1935.175       120.4836 2067.766       169.1734 1798.701       171.6324 155.0629 6.388847 144.5274 6.954199 10.53548       9.443424 
1 1 1 -5  15 3  o 127.0437 4.312852 1382.635       93.56632 1354.353       120.1029 1426.303       149.2380 125.5961 5.599836 128.5407 6.823310 -2.944565      8.826988 
1 1 1 -5  15 4  o 77.32561 4.749070 514.4971       62.40611 485.4457       97.36105 534.7563       81.30444 74.61256 7.754658 78.64556 6.101707 -4.032997      9.867398 
1 1 1 -5  15 5  o 40.52300 7.130826 145.5716       47.54314 74.00650       67.72417 215.1105       66.75855 30.61821 10.61365 49.25215 8.227676 -18.63394      13.42923 
1 1 1 -5  15 6  o 81.95088 3.852914 575.0021       53.91937 593.8895       79.47683 558.8956       73.39303 82.96759 5.643113 80.51527 5.368735 2.452324       7.788969 
1 1 1 -5  15 7  o 81.90292 12.17322 600.3603       165.0795 585.0966       199.1715 633.8564       295.0484 79.89555 15.15276 81.32246 21.07406 -1.426910      25.95616 
1 1 1 -5  15 8  o 87.05744 13.50966 683.7700       194.3318 700.6071       214.9139 608.2813       455.0623 87.66798 14.88812 79.87163 27.52231 7.796349       31.29111 
1 1 1 -5  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  15 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  15 12 o 117.2405 3.574326 1176.783       71.56056 1147.392       106.6023 1200.891       96.54704 115.5679 5.401662 118.3101 4.778759 -2.742226      7.212108 
1 1 1 -5  15 13 o 107.9235 3.573539 997.3149       65.85918 1064.000       94.51977 934.3891       91.81691 111.3261 4.971914 104.3041 5.154890 7.022026       7.161901 
1 1 1 -5  15 14 o 51.09188 5.841811 227.5243       50.05223 243.6744       60.92332 193.9875       87.79237 52.68550 6.940524 46.09205 11.25214 6.593449       13.22050 
1 1 1 -5  15 15 o 125.6776 5.572875 1359.777       119.6022 1210.711       167.5256 1514.742       170.8082 117.6982 8.390002 131.9689 7.611708 -14.27072      11.32829 
1 1 1 -5  15 16 o 70.31282 8.818580 438.4084       103.5559 405.1876       146.9213 471.2065       145.9836 66.01620 13.48832 71.74428 12.36181 -5.728073      18.29615 
1 1 1 -5  15 17 o 52.14430 10.99695 250.5215       94.83981 34.59425       165.2184 356.6366       115.8226 36.48142 15.41794 62.36636 11.29099 -25.88494      19.11019 
1 1 1 -5  15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  15 19 o ?        ?        -747.0514      90.81211 -860.7610      150.7701 -682.3113      113.7635 ?        ?        ?        ?        0.000000       ?        
1 1 1 -5  15 20 o 130.6304 5.972999 1484.828       133.2412 1530.000       207.7920 1453.286       173.6372 130.5312 9.384708 128.0768 7.978716 2.454407       12.31798 
1 1 1 -5  15 21 o 72.21077 7.548935 465.1203       91.71107 718.9340       140.7385 277.7972       120.9068 88.97679 9.405182 53.25291 13.32733 35.72388       16.31181 
1 1 1 -5  15 22 o 26.08968 11.04556 16.44030       85.03661 34.87145       119.9976 -2.152899      120.5240 31.20084 13.16039 28.99902 12.71294 2.201820       18.29795 
1 1 1 -5  15 23 o 20.21162 9.320539 -47.11837      74.77570 147.0574       118.8180 -174.4556      96.21931 39.45037 14.02781 18.29449 8.978220 21.15588       16.65497 
1 1 1 -5  15 24 o 54.91815 9.486325 285.3954       85.74745 289.5007       132.7002 282.4525       112.3540 52.27909 14.40366 52.76154 12.63674 -0.4824562     19.16123 
1 1 1 -5  15 25 o 20.87440 9.714894 -56.89989      84.09350 -147.2267      119.3716 32.09106       118.4856 21.92446 10.58467 29.92525 12.86408 -8.000793      16.65892 
1 1 1 -5  15 26 o 48.93407 10.49224 237.5789       85.04422 425.0745       133.3097 108.9070       110.4353 64.09253 12.62929 34.55210 13.29014 29.54043       18.33376 
1 1 1 -5  15 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  16 6  o 57.65006 5.713276 288.3786       55.50478 299.3760       83.47346 279.6624       74.31380 58.16973 8.668002 56.34240 7.944326 1.827339       11.75783 
1 1 1 -5  16 7  o 116.2542 3.849703 1157.485       76.42543 1050.344       111.6739 1251.870       104.8156 110.3533 5.948002 120.7646 5.082583 -10.41127      7.823770 
1 1 1 -5  16 8  o 53.39180 5.301991 247.2305       47.70169 148.9954       71.01527 327.9936       64.39091 40.54654 10.25075 61.41813 6.225418 -20.87159      11.99307 
1 1 1 -5  16 9  o 40.49448 6.693165 145.0219       44.66685 209.2249       74.31641 108.7123       55.88793 48.25752 9.355880 34.74943 9.253353 13.50809       13.15891 
1 1 1 -5  16 10 o 60.41254 5.042897 315.5561       51.54906 399.1095       79.51374 254.9779       67.70461 67.64902 6.983484 53.79082 7.580941 13.85820       10.30727 
1 1 1 -5  16 11 o 159.4349 3.706584 2177.635       100.9158 2283.669       149.5491 2088.985       136.7423 162.9721 5.373639 155.9176 5.135771 7.054489       7.433178 
1 1 1 -5  16 12 o 18.64568 7.444967 15.33647       35.76986 -54.97090      62.49166 49.59636       43.62291 18.02041 8.382658 24.87976 8.523951 -6.859341      11.95519 
1 1 1 -5  16 13 o 41.02726 7.395475 150.3333       49.90721 186.0153       62.61777 88.19450       82.63310 45.52562 8.362695 33.25581 11.71191 12.26981       14.39109 
1 1 1 -5  16 14 o 69.63975 4.540007 418.7222       53.69499 392.5096       71.93750 451.6975       80.68557 67.05280 6.358581 71.90238 6.646499 -4.849579      9.198234 
1 1 1 -5  16 15 o 99.80815 6.473532 867.8796       109.7386 576.8065       165.4944 1096.298       146.6046 78.93905 12.70825 111.7712 7.728422 -32.83211      14.87374 
1 1 1 -5  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  16 17 o 73.96401 7.728007 485.1716       96.16763 504.1593       148.2307 471.3709       126.3726 73.47176 12.24553 71.73608 10.63844 1.735672       16.22127 
1 1 1 -5  16 18 o 73.43395 7.567015 479.1679       93.53147 484.7697       143.4983 475.0302       123.3282 71.78548 12.13876 71.94015 10.33581 -0.1546631     15.94298 
1 1 1 -5  16 19 o 59.94752 8.809457 327.0114       87.49270 438.9938       135.5662 247.0706       114.5409 67.96609 12.12510 50.28486 13.17911 17.68123       17.90830 
1 1 1 -5  16 20 o 33.68224 12.51155 91.78485       95.95115 -36.25835      151.9439 176.7140       123.7467 30.54131 13.77186 42.82912 14.35809 -12.28782      19.89520 
1 1 1 -5  16 21 o 61.89478 8.520769 350.8400       87.67307 349.9170       135.9338 351.4973       114.7240 58.85096 13.77046 60.34502 11.55375 -1.494057      17.97540 
1 1 1 -5  16 22 o 22.72253 10.01857 -8.394675      75.82446 100.6632       120.5173 -79.84841      97.55137 35.27259 13.79464 21.84739 10.26328 13.42519       17.19380 
1 1 1 -5  16 23 o 31.11483 11.41473 84.23198       79.43256 -38.95121      125.5422 166.4668       102.5751 26.87982 12.27665 40.41288 13.04974 -13.53305      17.91681 
1 1 1 -5  16 24 o 28.19948 11.50567 48.63922       87.52808 152.3701       124.3731 -53.14748      123.2020 38.91050 14.28202 25.81354 11.92483 13.09695       18.60585 
1 1 1 -5  16 25 o 35.52694 11.64029 127.8848       81.46690 107.3522       128.0846 141.8345       105.5741 34.90235 14.03424 37.11871 13.22034 -2.216358      19.28049 
1 1 1 -5  17 1  o 73.83405 4.588207 469.5320       57.56354 533.0508       99.93769 437.9955       70.41811 78.13623 7.585463 71.10329 5.851471 7.032944       9.580134 
1 1 1 -5  17 2  o 49.04026 6.148445 210.3040       50.35782 154.9007       82.74496 242.8960       63.46418 41.31873 11.36973 52.53478 7.269001 -11.21606      13.49478 
1 1 1 -5  17 3  o 117.8086 3.952560 1189.365       79.51652 1149.038       121.4655 1219.609       105.1892 115.3271 6.190277 119.1424 5.170146 -3.815338      8.065354 
1 1 1 -5  17 4  o 115.9608 4.575131 1153.875       90.59760 1242.173       192.5131 1128.757       102.6783 118.9679 9.556730 114.6020 5.246681 4.365891       10.90224 
1 1 1 -5  17 5  o 101.5160 4.882199 885.0677       84.63538 900.1352       105.4279 857.7566       141.9399 102.0374 6.078092 99.01620 8.476230 3.021210       10.43023 
1 1 1 -5  17 6  o 75.19276 4.856649 487.6363       62.02792 600.8553       94.79032 402.8507       82.02855 83.14595 6.733904 67.87958 7.185852 15.26637       9.847940 
1 1 1 -5  17 7  o 106.9445 5.166995 983.5065       94.36228 1091.952       139.2710 891.4738       128.2999 112.0598 7.318136 101.1626 7.479879 10.89716       10.46440 
1 1 1 -5  17 8  o 32.02236 8.658336 92.39152       48.48240 129.1520       77.04650 68.29331       62.38136 37.87358 11.15786 29.27894 10.18429 8.594639       15.10687 
1 1 1 -5  17 9  o 89.95737 4.243842 694.7256       65.19253 718.7307       100.0461 677.0106       85.94460 90.94767 6.484264 88.42776 5.722187 2.519913       8.648069 
1 1 1 -5  17 10 o 68.62778 4.568731 406.6600       53.23637 301.7299       83.45821 478.6456       69.12600 58.14093 8.671075 74.30721 5.486444 -16.16629      10.26102 
1 1 1 -5  17 11 o 123.2460 3.953866 1304.322       83.21407 1195.548       125.9943 1388.479       110.8247 117.3195 6.312172 126.9184 5.113403 -9.598930      8.123448 
1 1 1 -5  17 12 o 165.0597 3.791681 2339.600       106.8746 2375.780       153.4426 2305.509       148.9449 165.8383 5.418252 163.3951 5.338075 2.443130       7.606082 
1 1 1 -5  17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  17 14 o 114.1398 3.889667 1120.219       75.81433 1074.209       106.8238 1166.914       107.6159 111.2045 5.643778 116.1093 5.427594 -4.904823      7.830135 
1 1 1 -5  17 15 o 212.5163 6.100963 3929.864       221.4076 3747.894       320.5840 4095.816       306.1498 205.1478 9.151095 215.2202 8.330078 -10.07237      12.37468 
1 1 1 -5  17 16 o 68.23146 9.317928 423.5948       105.7308 371.2056       165.0144 460.0828       137.7132 60.64541 15.78192 69.84722 11.97692 -9.201813      19.81200 
1 1 1 -5  17 17 o 75.79017 7.306479 511.0678       93.39198 546.4920       143.3208 484.9254       123.1210 76.35435 11.33609 72.44457 10.23752 3.909782       15.27461 
1 1 1 -5  17 18 o 90.92049 6.928734 733.0030       106.7667 714.3976       175.8882 743.8583       134.3500 86.51245 12.24795 90.59048 8.795525 -4.078026      15.07891 
1 1 1 -5  17 19 o 56.64338 9.189413 298.0658       85.84128 263.5583       133.4308 322.4334       112.1257 50.53350 14.62570 57.56096 11.80330 -7.027451      18.79438 
1 1 1 -5  17 20 o 85.90244 6.774707 659.7524       98.57317 594.0339       150.2274 709.4399       130.6259 78.24950 11.59334 87.75453 8.837053 -9.505035      14.57735 
1 1 1 -5  17 21 f 56.38964 11.08595 312.2882       102.9462 190.1156       160.8170 397.1124       134.0001 42.91251 16.14670 62.32308 13.01102 -19.41057      20.73651 
1 1 1 -5  17 22 o 65.58262 9.022309 404.8492       98.36786 215.3517       139.9172 590.0529       138.3229 44.47089 15.26465 78.01627 10.66170 -33.54537      18.61938 
1 1 1 -5  17 23 f 31.47504 11.47653 91.06339       80.11954 74.92745       128.3376 101.3683       102.5603 32.87958 13.72239 33.47474 12.82364 -0.5951614     18.78163 
1 1 1 -5  18 1  o 125.3520 3.885217 1348.917       83.16648 1356.844       130.8347 1343.543       107.7330 125.2204 6.118511 124.8693 5.052324 0.3511429      7.934870 
1 1 1 -5  18 2  o 55.52171 5.905387 269.3788       55.13091 148.3084       88.43153 346.3511       70.51081 40.27845 11.97611 62.85502 6.671197 -22.57656      13.70883 
1 1 1 -5  18 3  o 45.53022 6.702742 183.5072       50.55458 123.6385       83.74117 217.8390       63.41428 37.22436 11.76705 49.41755 7.771109 -12.19319      14.10155 
1 1 1 -5  18 4  o 67.49730 5.062118 394.7914       57.92231 244.2576       96.27058 480.2028       72.51610 51.38306 11.28078 74.32849 5.758103 -22.94543      12.66537 
1 1 1 -5  18 5  f 111.5871 4.595010 1071.603       87.55933 899.8795       165.3237 1138.550       103.2256 100.4562 9.760550 114.8792 5.261918 -14.42296      11.08856 
1 1 1 -5  18 6  o 165.1484 4.501016 2347.081       126.9366 2425.548       161.6023 2220.679       205.1076 167.5100 5.649435 159.5226 7.529351 7.987381       9.413142 
1 1 1 -5  18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  18 10 o 25.14351 9.167932 46.96505       51.12821 -91.65731      91.80805 109.2858       61.55744 21.00842 9.896379 34.54525 9.915570 -13.53683      14.00917 
1 1 1 -5  18 11 o 115.2698 3.867002 1142.867       76.11878 1109.552       116.8684 1167.412       100.3143 112.8128 6.089033 116.1997 5.055404 -3.386887      7.914128 
1 1 1 -5  18 12 o 27.46416 8.862991 65.87072       47.32055 -38.86467      70.88010 150.0889       63.55951 20.31603 9.257738 40.22804 9.418403 -19.91202      13.20651 
1 1 1 -5  18 13 o 113.2371 4.032753 1105.098       77.98163 1059.835       114.5436 1144.201       106.4645 110.0722 6.117982 114.7903 5.431224 -4.718102      8.180947 
1 1 1 -5  18 14 o 52.74925 6.096699 246.0647       53.90599 269.9572       83.98129 229.3230       70.29954 54.08558 9.436033 50.09726 8.522653 3.988312       12.71512 
1 1 1 -5  18 15 o 71.94683 7.058830 460.6555       85.60851 387.6855       113.6745 556.2709       130.1232 64.26991 10.73620 77.61217 10.05429 -13.34226      14.70900 
1 1 1 -5  18 16 o 127.5160 5.743885 1422.534       125.0756 1344.774       185.6797 1487.126       169.2297 121.5996 9.005948 128.9366 7.721499 -7.337059      11.86291 
1 1 1 -5  18 17 o 81.81546 7.405747 601.9130       102.3465 554.0139       171.4257 628.4431       127.5794 73.89936 14.09863 82.50991 9.211908 -8.610550      16.84133 
1 1 1 -5  18 18 o 70.45309 7.719760 451.8730       91.35580 494.4350       141.8295 421.6923       119.4317 70.70562 12.18657 66.04431 10.97486 4.661308       16.40000 
1 1 1 -5  18 19 o 18.14120 8.717454 -99.34743      78.76820 -156.7448      148.6023 -76.91936      92.89142 24.90553 11.96947 21.20125 9.977283 3.704287       15.58250 
1 1 1 -5  18 20 o 47.47582 10.63089 222.6907       84.04305 274.2176       132.2295 187.7678       108.8597 50.11060 14.57601 42.31788 13.42044 7.792717       19.81334 
1 1 1 -5  18 21 o 52.48489 9.995259 269.7628       86.31224 368.0067       135.6906 202.9969       111.8599 58.31187 13.83512 43.32278 13.58692 14.98909       19.39111 
1 1 1 -5  18 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  19 1  o 86.67727 4.307168 647.3565       63.75276 617.5472       106.6384 663.9367       79.53039 83.56348 7.554698 87.40773 5.354014 -3.844254      9.259532 
1 1 1 -5  19 2  o 119.4519 3.943227 1227.647       80.43528 1092.762       121.0444 1334.308       107.6376 111.8484 6.363730 124.2234 5.074094 -12.37500      8.139011 
1 1 1 -5  19 3  o 63.08072 5.460804 347.2325       58.24383 296.9513       94.34035 378.2017       74.03889 56.82727 10.09127 65.50678 6.713514 -8.679512      12.12044 
1 1 1 -5  19 4  o 96.77522 4.129708 806.5106       68.24729 843.6003       108.2600 782.0502       87.91705 98.16169 6.495097 94.84824 5.450942 3.313446       8.479331 
1 1 1 -5  19 5  o 134.7288 3.835342 1561.587       88.24017 1495.300       129.9865 1618.242       120.1715 131.2051 5.801568 136.7406 5.146385 -5.535431      7.755222 
1 1 1 -5  19 6  o 80.55085 4.377177 561.2252       59.98360 594.5548       94.25789 538.5408       77.76165 82.19445 6.775809 78.50689 5.842198 3.687561       8.946668 
1 1 1 -5  19 7  o 78.20662 5.578448 533.6903       74.01187 420.2097       93.84648 720.3961       120.3749 68.47259 8.188437 90.00972 7.911834 -21.53713      11.38629 
1 1 1 -5  19 8  o 67.07452 5.057580 391.8390       57.50368 418.8209       81.62169 365.2491       81.02656 68.74076 7.053202 63.97069 7.563663 4.770069       10.34198 
1 1 1 -5  19 9  o 85.13927 4.234539 625.5423       61.56558 529.4670       87.63725 719.1566       86.50750 77.45310 6.691665 90.76309 5.608880 -13.30999      8.731433 
1 1 1 -5  19 10 o 39.18653 7.955781 140.7575       51.41994 83.99368       73.31808 195.7026       72.13393 31.46124 11.03550 45.84065 9.525856 -14.37942      14.57821 
1 1 1 -5  19 11 o 85.42099 5.232694 636.5195       75.96149 573.2272       102.3289 714.2054       113.3689 80.11953 7.568912 89.54082 7.482898 -9.421288      10.64341 
1 1 1 -5  19 12 o 74.80528 4.816715 487.5377       61.20264 563.7332       87.94059 415.9664       85.23024 79.82619 6.507862 68.11695 7.448567 11.70924       9.891077 
1 1 1 -5  19 13 o 60.32225 5.445465 320.1990       55.48896 265.4555       79.48196 372.2491       77.50198 53.50213 9.020358 64.41281 7.167480 -10.91068      11.52127 
1 1 1 -5  19 14 o 56.59974 6.065582 284.9084       57.71252 336.3804       86.56625 243.7265       77.43127 60.40098 8.638792 50.99036 9.232462 9.410625       12.64386 
1 1 1 -5  19 15 o 21.37717 9.091370 8.500276       58.04472 -16.64307      99.76488 21.36704       71.36755 25.31958 11.30809 24.40522 10.21333 0.9143581      15.23762 
1 1 1 -5  19 16 o 33.49932 12.61890 97.30865       98.27504 55.02064       192.9844 112.1144       114.1902 36.53307 16.04956 35.58306 13.55493 0.9500122      21.00772 
1 1 1 -5  19 17 o 56.27887 10.98021 311.7475       101.7368 313.6195       176.8314 310.8213       124.3847 51.82479 17.15777 54.43671 13.45701 -2.611919      21.80551 
1 1 1 -5  19 18 o 66.63669 8.164275 412.6219       90.96033 612.7704       143.0770 276.8549       117.8395 79.07967 10.88344 51.00368 13.36755 28.07598       17.23777 
1 1 1 -5  19 19 o 23.96232 10.38066 10.41061       78.35165 280.5991       126.7210 -156.8080      99.69138 50.21747 14.16367 18.91686 9.253354 31.30061       16.91846 
1 1 1 -5  20 1  o 148.7758 3.809881 1908.172       96.79340 2071.668       148.8257 1788.315       127.4254 154.1332 5.654312 143.4348 5.202352 10.69841       7.683470 
1 1 1 -5  20 2  o 114.9984 3.888590 1140.520       76.36353 1094.015       117.1346 1174.896       100.7063 111.6327 6.168506 116.3138 5.070185 -4.681084      7.984814 
1 1 1 -5  20 3  o 57.26671 5.683583 288.6717       54.84684 319.3611       85.98438 267.6190       71.21632 59.11015 8.785561 54.36779 7.902061 4.742359       11.81646 
1 1 1 -5  20 4  o 55.44417 5.975808 271.6920       55.68480 273.9885       90.42193 270.2890       70.67704 54.05807 10.16837 54.67079 7.790826 -0.6127205     12.80987 
1 1 1 -5  20 5  o 31.67483 8.465630 93.05094       46.66811 165.1684       76.14294 49.66067       59.06165 41.59860 10.66782 26.09953 9.792109 15.49907       14.48060 
1 1 1 -5  20 6  o 80.08282 4.363388 556.6089       59.44619 578.7913       97.96558 543.6807       74.78926 80.57125 7.195910 78.73428 5.599039 1.836967       9.117585 
1 1 1 -5  20 7  o 106.4245 4.188046 979.6844       76.11232 1010.802       113.7358 954.4464       102.4282 107.0945 6.246212 104.2944 5.773664 2.800072       8.505902 
1 1 1 -5  20 8  o 83.65791 4.512179 608.7296       64.22234 568.9039       90.93239 648.3660       90.71618 79.97785 6.720345 85.64081 6.246069 -5.662956      9.174771 
1 1 1 -5  20 9  o 112.1613 4.035262 1088.471       77.28882 887.1395       111.8281 1272.591       106.9413 99.97527 6.587136 120.7600 5.185856 -20.78474      8.383524 
1 1 1 -5  20 10 o 64.88373 5.427612 371.0227       59.58529 367.5683       83.74458 374.5646       84.79793 63.50827 7.892074 64.10694 7.914009 -0.5986671     11.17660 
1 1 1 -5  20 11 o 30.96105 8.943129 90.26624       49.93315 81.60427       74.35120 97.38274       67.39275 30.70804 11.07717 32.29117 10.58751 -1.583128      15.32316 
1 1 1 -5  20 12 o 19.56212 8.440001 1.142634       51.37199 82.31832       78.05176 -60.89892      68.23560 30.91974 11.31933 18.23891 8.573112 12.68083       14.19949 
1 1 1 -5  20 13 o 60.22731 6.598394 326.7548       66.75234 259.4108       85.57516 431.4119       106.6799 51.86165 10.02544 67.55731 9.510426 -15.69566      13.81874 
1 1 1 -5  20 14 o 48.06316 8.911258 219.0641       70.44653 213.9828       124.5054 221.4569       85.43787 44.69973 14.37129 47.29853 10.81348 -2.598797      17.98514 
1 1 1 -5  20 15 o 23.39270 9.569240 27.89217       60.74245 13.50065       109.8198 34.23565       72.91066 27.77326 12.15643 25.42661 10.45213 2.346645       16.03203 
1 1 1 -5  20 16 o 32.83762 12.07442 101.3220       88.95187 -7.988966      137.4274 180.1381       116.6941 28.89894 13.05825 40.83830 13.94169 -11.93935      19.10206 
1 1 1 -5  20 17 o 22.34308 10.27365 -38.28452      89.94483 105.0827       152.9332 -114.0993      111.2125 35.67962 14.94290 21.73067 10.41996 13.94895       18.21719 
1 1 1 -5  21 1  o 61.44971 5.433978 333.6628       56.43384 512.5240       100.3716 250.9835       68.24189 74.93913 7.965436 52.23429 7.897057 22.70484       11.21658 
1 1 1 -5  21 2  o 54.92365 6.151338 269.6085       56.70335 81.07121       92.47185 383.2188       71.78267 31.81116 12.17892 65.42452 6.511573 -33.61336      13.81038 
1 1 1 -5  21 3  o 76.66647 4.673681 513.9477       60.89584 434.5806       96.80540 565.9198       78.33658 68.67461 8.431834 79.97889 5.774537 -11.30428      10.21964 
1 1 1 -5  21 4  o 39.75223 7.659747 146.5158       50.11123 -43.52589      82.52641 257.5109       63.06966 21.46438 9.858974 53.25162 7.113454 -31.78724      12.15733 
1 1 1 -5  21 5  o 34.52579 8.031095 111.9941       46.45713 175.1007       80.54466 80.53295       56.87043 42.09202 11.06109 29.60694 9.726814 12.48508       14.72951 
1 1 1 -5  21 6  o 56.91573 6.083708 289.5116       58.21337 187.6576       83.50994 385.7882       81.19129 43.48357 11.18318 65.12012 7.434420 -21.63655      13.42885 
1 1 1 -5  21 7  o 53.82285 6.809045 262.2803       61.18290 247.2934       85.30080 278.1601       87.80491 50.53099 10.23620 53.85688 9.912443 -3.325890      14.24908 
1 1 1 -5  21 8  o 21.67019 8.709291 25.09823       49.30061 28.07773       63.83355 20.69370       77.61179 23.94677 9.804382 25.00575 10.56759 -1.058989      14.41526 
1 1 1 -5  21 9  o 83.22726 4.897727 608.2479       69.30165 486.6856       97.99712 729.8608       98.01756 72.73067 8.023876 90.33939 6.394999 -17.60872      10.26054 
1 1 1 -5  21 10 o 19.36724 8.454834 -2.834696      52.81297 -44.60038      81.24981 27.72233       69.49732 21.05804 9.712539 24.51730 10.15378 -3.459257      14.05107 
1 1 1 -5  21 11 o 42.21697 8.466429 169.4585       58.91238 183.0598       87.46815 158.1653       79.70176 42.26665 11.71335 39.52336 11.26263 2.743290       16.24960 
1 1 1 -5  21 12 o 48.96938 7.882865 224.6067       63.68190 291.0243       90.94355 160.7094       89.20135 54.42205 10.15942 39.35711 12.09881 15.06493       15.79858 
1 1 1 -5  21 13 f 25.81221 9.480577 56.14789       54.81749 0.9284441      81.48637 101.7955       74.08797 23.64792 10.40802 32.35425 11.10761 -8.706327      15.22189 
1 1 1 -5  22 1  o 82.72237 4.881695 602.8527       68.65416 688.8141       114.8885 555.1068       85.62340 86.38839 7.874382 78.47623 6.446251 7.912155       10.17645 
1 1 1 -5  22 2  o 65.57496 5.350892 381.9926       59.39689 580.8786       105.1231 288.7214       71.98962 79.28833 7.867922 55.74988 7.773256 23.53845       11.06019 
1 1 1 -5  22 3  o 55.90031 5.709496 279.7923       53.73717 283.3703       97.54195 278.2332       64.38965 53.09352 11.11494 55.12056 6.998414 -2.027031      13.13467 
1 1 1 -5  22 4  o 82.05924 4.579694 591.3017       63.91902 480.4254       96.25371 678.7683       85.49072 71.94693 7.968152 87.24245 5.770977 -15.29552      9.838477 
1 1 1 -5  22 5  o 29.66863 9.366155 84.06006       53.06860 21.79230       80.53925 131.8391       70.54962 25.12887 10.69851 36.25539 10.67591 -11.12653      15.11400 
1 1 1 -5  22 6  o 38.72787 8.890211 145.3475       57.55113 144.4140       78.68928 146.4211       84.38844 37.62999 11.32191 37.74846 11.79506 -0.1184769     16.34959 
1 1 1 -5  22 7  o 60.38973 6.447302 330.8780       65.46024 310.0924       92.13947 352.0610       93.01629 56.27802 9.951542 60.50509 9.300255 -4.227070      13.62086 
1 1 1 -4  0  1  o 270.5331 19.86571 6391.030       906.3798 6391.030       906.3798 6391.030       906.3798 270.5331 19.86571 270.5331 19.86571 -0.000000      0.000000 
1 1 1 -4  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0  5  o 400.5273 10.63652 13753.30       726.3412 13753.30       726.3412 13753.30       726.3412 400.5273 10.63652 400.5273 10.63652 0.000000       0.000000 
1 1 1 -4  0  6  o 24.83343 5.823750 60.59435       21.46104 60.59435       21.46104 60.59435       21.46104 24.83343 5.823750 24.83343 5.823750 0.000000       0.000000 
1 1 1 -4  0  7  o 56.98797 4.476274 282.5096       42.94321 282.5096       42.94321 282.5096       42.94321 56.98797 4.476274 56.98797 4.476274 0.000000       0.000000 
1 1 1 -4  0  8  o 212.7138 5.549386 3874.433       201.2676 3874.433       201.2676 3874.433       201.2676 212.7138 5.549386 212.7138 5.549386 -0.000000      0.000000 
1 1 1 -4  0  9  f 196.1038 5.423483 3294.388       181.3070 3294.388       181.3070 3294.388       181.3070 196.1038 5.423483 196.1038 5.423483 -0.000000      0.000000 
1 1 1 -4  0  10 o 9.523036 5.855759 5.979512       18.46296 5.979512       18.46296 5.979512       18.46296 9.523036 5.855759 9.523036 5.855759 0.000000       0.000000 
1 1 1 -4  0  11 o 142.7782 3.907970 1745.266       95.12151 1745.266       95.12151 1745.266       95.12151 142.7782 3.907970 142.7782 3.907970 0.000000       0.000000 
1 1 1 -4  0  12 o 111.6979 3.651160 1068.980       69.47445 1068.980       69.47445 1068.980       69.47445 111.6979 3.651160 111.6979 3.651160 0.000000       0.000000 
1 1 1 -4  0  13 o 248.6401 5.590571 5289.250       237.1009 5289.250       237.1009 5289.250       237.1009 248.6401 5.590571 248.6401 5.590571 0.000000       0.000000 
1 1 1 -4  0  14 o 13.34896 7.645836 19.29198       27.59330 19.29198       27.59330 19.29198       27.59330 13.34896 7.645836 13.34896 7.645836 0.000000       0.000000 
1 1 1 -4  0  15 o 277.8132 4.969030 6598.949       235.5662 6598.949       235.5662 6598.949       235.5662 277.8132 4.969030 277.8132 4.969030 -0.000000      0.000000 
1 1 1 -4  0  16 o 350.9479 6.841618 10537.27       409.6669 10537.27       409.6669 10537.27       409.6669 350.9479 6.841618 350.9479 6.841618 0.000000       0.000000 
1 1 1 -4  0  17 o 93.14476 4.066318 745.2654       64.39828 745.2654       64.39828 745.2654       64.39828 93.14476 4.066318 93.14476 4.066318 -0.000000      0.000000 
1 1 1 -4  0  18 o 528.7206 9.747652 23953.27       879.4177 23953.27       879.4177 23953.27       879.4177 528.7206 9.747652 528.7206 9.747652 -0.000000      0.000000 
1 1 1 -4  0  19 o 351.6670 4.974439 10574.56       298.5945 10574.56       298.5945 10574.56       298.5945 351.6670 4.974439 351.6670 4.974439 -0.000000      0.000000 
1 1 1 -4  0  20 o 120.1072 7.335550 1248.297       149.1683 1248.297       149.1683 1248.297       149.1683 120.1072 7.335550 120.1072 7.335550 -0.000000      0.000000 
1 1 1 -4  0  21 o 147.4819 5.820879 1869.272       146.0796 1869.272       146.0796 1869.272       146.0796 147.4819 5.820879 147.4819 5.820879 -0.000000      0.000000 
1 1 1 -4  0  22 o 91.67033 5.895106 727.9695       91.40795 727.9695       91.40795 727.9695       91.40795 91.67033 5.895106 91.67033 5.895106 -0.000000      0.000000 
1 1 1 -4  0  23 o 122.4358 7.289622 1298.613       151.1736 1298.613       151.1736 1298.613       151.1736 122.4358 7.289622 122.4358 7.289622 -0.000000      0.000000 
1 1 1 -4  0  24 o 57.02162 22.21923 390.9113       206.4234 390.9113       206.4234 390.9113       206.4234 57.02162 22.21923 57.02162 22.21923 -0.000000      0.000000 
1 1 1 -4  0  25 o 64.58181 22.74899 482.1366       227.7645 482.1366       227.7645 482.1366       227.7645 64.58181 22.74899 64.58181 22.74899 -0.000000      0.000000 
1 1 1 -4  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0  27 o 32.71645 15.12205 136.1055       93.14764 136.1055       93.14764 136.1055       93.14764 32.71645 15.12205 32.71645 15.12205 -0.000000      0.000000 
1 1 1 -4  0  28 o 161.0773 5.833402 2234.354       159.9794 2234.354       159.9794 2234.354       159.9794 161.0773 5.833402 161.0773 5.833402 -0.000000      0.000000 
1 1 1 -4  0  29 o 189.6171 5.615976 3095.837       181.4854 3095.837       181.4854 3095.837       181.4854 189.6171 5.615976 189.6171 5.615976 -0.000000      0.000000 
1 1 1 -4  0  30 o 153.8400 5.650839 2043.591       147.9968 2043.591       147.9968 2043.591       147.9968 153.8400 5.650839 153.8400 5.650839 -0.000000      0.000000 
1 1 1 -4  0  31 o 101.2922 6.529397 897.3444       111.8645 897.3444       111.8645 897.3444       111.8645 101.2922 6.529397 101.2922 6.529397 -0.000000      0.000000 
1 1 1 -4  0  32 o 108.3315 6.297171 1025.607       115.5928 1025.607       115.5928 1025.607       115.5928 108.3315 6.297171 108.3315 6.297171 0.000000       0.000000 
1 1 1 -4  0  33 o 65.33854 9.115412 397.0771       96.04186 397.0771       96.04186 397.0771       96.04186 65.33854 9.115412 65.33854 9.115412 0.000000       0.000000 
1 1 1 -4  0  34 o 34.93674 14.79947 159.7019       89.41651 159.7019       89.41651 159.7019       89.41651 34.93674 14.79947 34.93674 14.79947 0.000000       0.000000 
1 1 1 -4  0  35 f 44.74233 21.32837 313.7154       186.4360 313.7154       186.4360 313.7154       186.4360 44.74233 21.32837 44.74233 21.32837 0.000000       0.000000 
1 1 1 -4  1  1  o 425.4231 7.408589 15482.29       538.2183 16370.59       777.4944 14664.93       745.8054 437.0539 10.41742 413.6384 10.55851 23.41553       14.83256 
1 1 1 -4  1  2  o 182.4926 15.39240 2886.723       475.2050 3069.537       672.0941 2703.967       671.9886 186.9613 21.43867 174.9311 23.05722 12.03018       31.48415 
1 1 1 -4  1  3  o 175.7639 15.20491 2678.275       451.8734 2718.241       639.0400 2638.307       639.0510 175.7155 21.76242 172.9818 22.14198 2.733749       31.04626 
1 1 1 -4  1  4  o 333.5288 9.053439 9525.271       515.6427 9473.382       1800.785 9529.905       538.1777 325.5704 32.83890 333.5676 9.448001 -7.997223      34.17101 
1 1 1 -4  1  5  o 124.7665 4.006251 1329.883       85.35682 1382.839       123.4829 1281.426       118.1211 127.1900 5.685280 122.4382 5.649481 4.751793       8.014926 
1 1 1 -4  1  6  o 397.8938 6.366096 13539.12       432.5560 13279.27       529.8708 14058.23       748.9261 393.8924 7.877538 404.8465 10.83295 -10.95413      13.39434 
1 1 1 -4  1  7  o 252.1609 4.446689 5433.957       191.4769 5452.310       238.0907 5400.352       322.1706 252.5252 5.521228 251.1719 7.511263 1.353348       9.322181 
1 1 1 -4  1  8  o 216.5207 3.254547 4005.265       120.3350 4044.676       169.9416 3965.632       170.4182 217.5198 4.575083 215.3805 4.633482 2.139252       6.511570 
1 1 1 -4  1  9  o 152.2806 2.721175 1981.007       70.76250 2019.044       99.74346 1942.463       100.4064 153.6979 3.800272 150.7508 3.900316 2.947083       5.445598 
1 1 1 -4  1  10 o 126.8482 3.484209 1375.020       75.47281 1398.146       106.6101 1351.785       106.8597 127.8583 4.882786 125.7165 4.977596 2.141785       6.972666 
1 1 1 -4  1  11 o 454.0824 6.207747 17642.95       481.3606 17575.33       680.6495 17710.61       680.8440 452.7218 8.804206 454.4678 8.772888 -1.745972      12.42890 
1 1 1 -4  1  12 o 153.4858 3.340831 2012.346       87.56377 2135.813       123.7545 1888.562       123.9134 158.0930 4.584023 148.6524 4.881398 9.440552       6.696365 
1 1 1 -4  1  13 o 346.1526 5.144341 10239.51       304.0880 10335.23       430.1106 10143.84       429.9801 347.6204 7.245578 344.3814 7.311504 3.238953       10.29352 
1 1 1 -4  1  14 o 374.0822 5.087471 11958.10       324.9907 12115.41       459.6349 11800.83       459.5778 376.3842 7.151211 371.4577 7.245155 4.926544       10.17998 
1 1 1 -4  1  15 o 297.5689 4.655608 7566.014       236.5734 7536.087       334.6702 7595.904       334.4604 296.8693 6.601609 298.0472 6.571398 -1.177887      9.314747 
1 1 1 -4  1  16 o 549.2336 8.276962 25822.60       776.3007 23096.98       963.7279 30859.19       1310.056 518.9566 10.87480 599.3447 12.80004 -80.38806      16.79591 
1 1 1 -4  1  17 o 187.5384 3.636171 3004.696       116.4492 2965.432       162.2324 3046.426       167.2503 186.2576 5.100604 188.7804 5.188096 -2.522781      7.275472 
1 1 1 -4  1  18 o 154.1800 3.878532 2031.343       102.1169 2002.707       143.6687 2060.582       145.1731 153.0263 5.497865 155.2226 5.476830 -2.196320      7.760296 
1 1 1 -4  1  19 o 55.53376 4.696137 265.6028       44.11739 254.7591       65.54401 274.5851       59.65394 54.04102 7.288341 56.28080 6.315932 -2.239773      9.644217 
1 1 1 -4  1  20 o 171.1841 3.665015 2505.056       107.1374 2609.317       149.5403 2395.100       153.5703 174.6192 5.014924 167.2700 5.376347 7.349243       7.352180 
1 1 1 -4  1  21 o 76.40937 4.642630 501.5309       60.29064 468.6847       86.41701 532.6805       84.15562 73.56669 6.961637 78.55888 6.326782 -4.992188      9.407049 
1 1 1 -4  1  22 o 58.04785 8.304658 296.0260       79.97469 260.0906       167.7163 306.6018       90.98504 54.06759 16.58477 58.88491 9.361588 -4.817322      19.04453 
1 1 1 -4  1  23 o 128.3839 3.968292 1410.732       86.99939 1418.623       121.9205 1402.545       124.1821 128.5937 5.552070 127.8480 5.688048 0.7457275      7.948545 
1 1 1 -4  1  24 o 175.1137 4.585949 2627.808       137.1359 2593.202       235.3863 2645.590       168.7288 173.3256 7.952735 175.5437 5.628623 -2.218048      9.743070 
1 1 1 -4  1  25 o 250.8839 14.36798 5604.049       612.9996 5752.752       866.9604 5455.379       866.8643 248.9597 20.57683 241.8141 21.20685 7.145660       29.54888 
1 1 1 -4  1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  1  27 o 89.68080 4.932889 692.5040       75.25405 634.6879       102.3098 760.6585       111.0811 85.45657 7.074453 93.62113 6.998693 -8.164558      9.951361 
1 1 1 -4  1  28 o 131.7882 4.174303 1490.120       93.94252 1586.226       130.1190 1385.484       135.7707 135.7074 5.614812 126.6930 6.275544 9.014397       8.420722 
1 1 1 -4  1  29 o 82.57073 5.048803 589.8225       70.84756 591.1216       103.1650 588.6630       97.46498 82.04251 7.444684 81.99289 7.028936 0.4962158E-01  10.23862 
1 1 1 -4  1  30 o 49.30458 7.472219 217.2959       60.94117 190.5650       86.45703 243.6916       85.91322 45.09259 11.26141 51.42208 10.14416 -6.329491      15.15663 
1 1 1 -4  1  31 o 43.51591 8.107512 172.5864       58.03059 221.4776       85.97078 131.6652       78.65200 48.53711 10.66362 37.57087 11.32263 10.96624       15.55361 
1 1 1 -4  1  32 o 40.00767 8.674750 148.7248       57.55778 80.24529       75.99700 240.8475       88.14536 31.09156 11.20140 50.39608 10.57939 -19.30452      15.40762 
1 1 1 -4  1  33 o 15.22096 7.263760 -64.23829      52.66796 -122.9612      68.26646 22.11285       82.78230 15.56597 7.623342 25.93979 10.93547 -10.37383      13.33041 
1 1 1 -4  1  34 o 27.01988 10.45211 53.40957       68.60706 172.0578       109.1248 -24.14152      88.22405 40.91813 13.47526 23.26741 10.49278 17.65072       17.07868 
1 1 1 -4  1  35 o 33.90391 11.37607 113.6133       77.68350 190.6165       117.6675 54.12049       103.4271 41.86017 14.00113 29.69392 12.34956 12.16625       18.66931 
1 1 1 -4  2  1  o 174.0733 4.654562 2589.170       138.3607 2549.502       195.5876 2628.906       195.7558 172.6682 6.633258 175.3403 6.537790 -2.672043      9.313582 
1 1 1 -4  2  2  o 429.4244 7.647552 15776.98       560.8041 17149.42       810.1180 14514.12       777.1053 447.2958 10.60600 411.4258 11.06080 35.86996       15.32411 
1 1 1 -4  2  3  o 589.2001 11.15557 29769.47       1122.423 31831.60       1619.762 27864.53       1556.802 608.0161 15.60035 568.7352 16.02955 39.28088       22.36777 
1 1 1 -4  2  4  o 340.3282 6.201374 9902.941       360.4025 9937.620       510.2120 9868.406       509.1618 340.6899 8.769794 339.5001 8.782415 1.189819       12.41129 
1 1 1 -4  2  5  o 524.5920 10.15591 23590.41       909.7925 22714.78       1261.089 24540.78       1313.812 513.7463 14.37458 533.9869 14.40790 -20.24066      20.35230 
1 1 1 -4  2  6  o 339.2291 6.643180 9844.288       384.8318 9529.637       544.3588 10158.65       544.1102 333.4245 9.560615 344.2953 9.254519 -10.87079      13.30607 
1 1 1 -4  2  7  o 238.0762 4.533609 4844.668       184.3156 4711.534       225.9772 5109.265       318.5749 234.7142 5.637977 244.2535 7.637811 -9.539261      9.493310 
1 1 1 -4  2  8  o 107.4911 3.135511 987.1834       57.55496 1017.388       71.85883 933.1323       96.12709 109.1050 3.856855 104.3002 5.415712 4.804810       6.648705 
1 1 1 -4  2  9  o 105.7381 2.924300 955.2249       52.80262 925.1972       72.72026 988.7115       76.79457 104.0318 4.093429 107.5406 4.181732 -3.508736      5.851756 
1 1 1 -4  2  10 o 336.3821 5.296834 9678.949       304.2644 9666.535       435.1320 9690.825       425.6156 335.8452 7.587172 336.2956 7.411299 -0.4503784     10.60625 
1 1 1 -4  2  11 o 268.9699 4.474957 6183.124       205.5391 6260.591       287.2342 6101.829       294.2450 270.5255 6.217646 267.0538 6.452208 3.471680       8.960475 
1 1 1 -4  2  12 o 117.6756 3.027522 1182.745       60.83811 1195.225       86.20010 1170.359       85.87698 118.2752 4.267880 117.0378 4.296834 1.237328       6.056202 
1 1 1 -4  2  13 o 386.6794 5.872756 12780.43       387.7885 12773.13       481.8110 12793.87       653.4254 386.4544 7.300903 386.4965 9.900305 -0.4205322E-01 12.30119 
1 1 1 -4  2  14 o 368.8549 5.064986 11626.28       319.0331 11378.72       451.0443 11874.15       451.3176 364.7498 7.241395 372.6185 7.092771 -7.868683      10.13633 
1 1 1 -4  2  15 o 272.1713 4.399501 6329.196       204.4786 6271.623       288.0440 6387.685       290.3222 270.8393 6.227952 273.3343 6.219910 -2.495056      8.801970 
1 1 1 -4  2  16 o 86.73056 3.637172 642.5959       53.86887 567.9493       77.37138 712.8231       75.04601 81.31644 5.606106 91.20116 4.835928 -9.884720      7.403690 
1 1 1 -4  2  17 f 274.7883 4.381566 6452.722       205.6030 6327.533       293.0123 6574.145       288.5716 271.9839 6.308714 277.2499 6.095091 -5.266022      8.772116 
1 1 1 -4  2  18 o 37.73688 6.520578 125.3629       40.50009 125.4134       54.72373 125.3018       60.22178 37.49826 8.712206 37.48691 9.419106 0.1134491E-01  12.83051 
1 1 1 -4  2  19 o 241.0333 3.491368 4964.898       143.7059 4817.708       201.5458 5117.115       204.9588 237.3256 4.973101 244.5948 4.907016 -7.269180      6.986454 
1 1 1 -4  2  20 o 238.9413 4.500689 4883.958       183.6421 5045.844       227.3369 4579.936       311.5425 242.7585 5.483952 230.9335 7.900025 11.82500       9.616867 
1 1 1 -4  2  21 o 119.1827 5.451450 1216.991       110.9500 864.1586       265.3857 1291.722       122.1358 97.86981 16.46360 122.7576 5.826300 -24.88775      17.46414 
1 1 1 -4  2  22 o 54.02448 5.483934 252.7539       49.89109 207.5267       69.52822 300.7596       71.63212 48.32980 8.746493 58.69835 7.304260 -10.36854      11.39532 
1 1 1 -4  2  23 o 114.1967 3.738743 1115.909       72.90897 1026.718       99.52954 1219.192       107.1043 109.4149 5.326886 119.2370 5.260103 -9.822029      7.486280 
1 1 1 -4  2  24 o 76.25706 4.759376 500.4246       61.66761 485.5393       88.46266 514.4963       86.01133 74.76460 7.010738 77.05239 6.600551 -2.287796      9.629004 
1 1 1 -4  2  25 f 102.0376 12.76479 929.9444       217.5543 973.0284       311.7370 889.0385       303.7548 102.0766 18.56783 97.29860 18.96313 4.778030       26.53986 
1 1 1 -4  2  26 o 257.0823 6.381976 5689.661       280.1749 5735.098       394.1269 5643.242       398.3614 257.0787 8.977761 254.9320 9.150628 2.146698       12.81929 
1 1 1 -4  2  27 o 41.92081 9.146266 158.6222       63.63388 203.4588       89.51672 112.8207       90.47472 47.22594 11.25886 36.65849 12.27710 10.56744       16.65800 
1 1 1 -4  2  28 o 21.34900 8.885031 10.03601       53.58876 125.3053       71.82570 -134.6949      80.48291 37.24384 10.71667 17.57504 8.533582 19.66879       13.69923 
1 1 1 -4  2  29 o 165.5423 4.055581 2354.749       114.6473 2359.055       157.4554 2349.891       167.2601 165.2276 5.580499 164.7743 5.944302 0.4532318      8.153324 
1 1 1 -4  2  30 o 33.92757 9.993638 105.0201       61.81175 157.5449       84.77271 45.39503       90.32088 41.04750 11.58710 29.45021 11.80515 11.59729       16.54153 
1 1 1 -4  2  31 o 26.26543 9.732854 50.86995       57.99455 -32.86319      79.31116 147.0899       85.01942 22.01306 9.935884 39.49598 11.74263 -17.48293      15.38217 
1 1 1 -4  2  32 o 132.3244 4.058529 1512.606       91.70873 1465.891       127.0050 1563.501       132.5650 129.5136 5.742534 133.7223 5.805279 -4.208740      8.165658 
1 1 1 -4  2  33 o 20.47299 9.174940 -19.68976      66.27912 -46.19835      92.57639 8.186036       94.93372 22.79189 10.45887 26.32608 11.41555 -3.534191      15.48233 
1 1 1 -4  2  34 o 28.79547 10.76993 68.01558       71.33743 67.10911       98.19755 69.02861       103.8089 30.75155 12.31538 31.32602 12.62099 -0.5744667     17.63400 
1 1 1 -4  2  35 o 58.18398 7.654365 314.3524       74.20684 305.3003       97.13898 327.0382       114.9949 55.35302 10.66340 55.99633 12.35701 -0.6433144     16.32188 
1 1 1 -4  3  1  o 98.45741 3.757551 828.1475       63.17645 949.5961       91.64473 718.1681       87.21012 105.4057 5.091449 91.48452 5.609433 13.92120       7.575526 
1 1 1 -4  3  2  o 392.2315 5.802482 13152.95       388.6495 12666.66       654.1514 13418.26       483.1722 384.4243 9.964729 396.0344 7.144423 -11.61008      12.26126 
1 1 1 -4  3  3  o 160.0503 3.196746 2188.069       87.37087 2287.569       124.3558 2091.072       122.7814 163.6179 4.450753 156.4288 4.596357 7.189056       6.398102 
1 1 1 -4  3  4  o 318.4718 4.453679 8667.111       242.2099 8860.103       342.5174 8474.077       342.5555 321.8701 6.231608 314.7685 6.372910 7.101563       8.913300 
1 1 1 -4  3  5  o 49.72985 3.636084 212.4157       30.66420 250.4170       37.46589 135.3064       53.36910 53.98005 4.094951 39.01310 8.267695 14.96695       9.226235 
1 1 1 -4  3  6  o 92.16708 3.389918 725.7549       53.35399 734.7996       74.04758 715.9891       76.94360 92.59460 4.698385 91.37964 4.949295 1.214958       6.824247 
1 1 1 -4  3  7  o 172.2137 4.543487 2535.682       133.6162 2462.704       184.9033 2615.438       193.2998 169.6058 6.384135 174.7793 6.476486 -5.173492      9.094067 
1 1 1 -4  3  8  o 106.0340 3.493610 960.8277       63.25887 897.0045       77.09444 1092.351       110.6712 102.4251 4.407728 112.8265 5.763319 -10.40146      7.255613 
1 1 1 -4  3  9  o 317.7708 5.459991 8639.479       296.2838 8495.009       362.8225 8928.655       513.3186 314.9334 6.746423 322.4152 9.323298 -7.481781      11.50817 
1 1 1 -4  3  10 o 219.9813 4.385806 4136.193       164.7545 4153.042       204.7074 4105.209       277.5950 220.3665 5.439839 218.9410 7.424766 1.425507       9.204292 
1 1 1 -4  3  11 o 287.3073 4.666920 7054.262       228.9702 6818.152       323.2578 7292.000       324.3706 282.3246 6.704991 291.9860 6.505453 -9.661377      9.342260 
1 1 1 -4  3  12 o 429.2606 6.437815 15754.60       471.9124 15636.24       667.2348 15873.07       667.5352 427.3484 9.143126 430.5810 9.078568 -3.232605      12.88476 
1 1 1 -4  3  13 o 272.2637 4.177708 6332.701       194.2360 5935.342       273.5605 6736.699       275.8360 263.5030 6.079474 280.7453 5.753559 -17.24231      8.370391 
1 1 1 -4  3  14 o 589.0940 7.445097 29685.19       748.9570 29453.45       1058.764 29917.30       1059.606 586.2420 10.57598 590.8555 10.50174 -4.613525      14.90429 
1 1 1 -4  3  15 o 250.7712 3.220996 5371.428       137.9335 5447.975       192.2530 5290.229       198.0094 252.5085 4.458565 248.8177 4.660177 3.690811       6.449500 
1 1 1 -4  3  16 o 107.6105 2.877887 989.0717       52.88476 932.0452       73.12791 1051.596       76.57155 104.4442 4.100125 110.9416 4.041766 -6.497398      5.757334 
1 1 1 -4  3  17 o 86.99493 3.823637 646.6503       56.80317 687.4474       80.46600 606.1241       80.19830 89.51229 5.287613 84.00241 5.623240 5.509880       7.718788 
1 1 1 -4  3  18 o 305.2498 4.288473 7964.889       223.5424 8153.257       312.2499 7766.841       320.1724 308.6779 5.923723 301.2403 6.223991 7.437683       8.592355 
1 1 1 -4  3  19 o 231.5606 6.842529 4595.102       270.5722 4602.364       703.0702 4593.839       293.1502 228.5627 18.16299 231.4546 7.416901 -2.891922      19.61898 
1 1 1 -4  3  20 o 211.6677 3.550101 3830.255       128.3208 3736.926       180.4459 3925.740       182.5180 208.9378 5.057407 214.1584 4.990784 -5.220551      7.105300 
1 1 1 -4  3  21 o 167.8691 3.083332 2408.868       88.38795 2240.797       123.7921 2583.659       126.2428 161.8037 4.480253 173.7626 4.254498 -11.95898      6.178464 
1 1 1 -4  3  22 o 187.1543 3.504539 2995.854       112.0038 2980.919       158.7522 3010.656       158.0447 186.5230 4.984085 187.4571 4.937149 -0.9341583     7.015450 
1 1 1 -4  3  23 o 248.5246 4.143819 5288.322       175.8620 5235.211       248.1890 5341.878       249.2272 246.9250 5.885935 249.4361 5.851056 -2.511093      8.299343 
1 1 1 -4  3  24 o 110.0210 3.872880 1036.346       72.76315 928.0663       103.3373 1142.824       102.4734 103.7716 5.855370 115.4090 5.199594 -11.63743      7.830781 
1 1 1 -4  3  25 o 93.24057 15.11592 792.6703       232.4405 728.3444       364.1588 836.8965       301.9522 86.11761 23.91248 94.09970 19.43438 -7.982086      30.81399 
1 1 1 -4  3  26 o 160.0379 4.036973 2194.272       110.3267 2159.565       152.1959 2232.705       160.1596 158.5153 5.622506 161.1395 5.820348 -2.624191      8.092529 
1 1 1 -4  3  27 o 139.7966 4.911958 1678.129       117.2609 1877.570       223.4356 1602.318       137.7562 146.6501 8.965177 136.4295 5.912909 10.22067       10.73950 
1 1 1 -4  3  28 o 38.22654 12.78331 125.6001       98.08808 125.6001       98.08808 0.000000       0.000000 38.22654 12.78331 ?        ?        0.000000       12.78331 
1 1 1 -4  3  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  3  30 f 70.27000 5.591098 430.6687       66.53681 365.1242       92.54247 500.8108       95.73314 63.68306 8.740234 75.19011 7.558268 -11.50705      11.55505 
1 1 1 -4  3  31 o 32.42034 9.450090 96.85177       55.52864 137.2263       78.60045 56.62296       78.45847 38.18014 11.27596 28.97414 11.18596 9.206003       15.88311 
1 1 1 -4  3  32 o 70.06844 6.424878 435.3763       76.01957 542.6422       116.0407 354.7298       100.6172 77.00143 8.994384 61.63705 9.894065 15.36439       13.37129 
1 1 1 -4  3  33 o 53.55874 7.855284 263.5213       69.70947 205.8944       95.85524 328.2117       101.5601 45.23233 12.15117 58.35760 10.58079 -13.12527      16.11223 
1 1 1 -4  3  34 o 50.98101 7.643332 239.9496       64.49064 249.8528       82.50174 224.3924       103.4052 50.85675 9.855640 46.52301 12.67240 4.333748       16.05377 
1 1 1 -4  3  35 o 37.47372 10.32237 140.9812       68.16138 166.7950       90.85809 107.7522       103.0850 39.88454 12.20230 33.90712 12.88791 5.977421       17.74807 
1 1 1 -4  4  1  o 150.8485 3.409811 1944.082       87.83617 2077.245       146.1781 1868.832       109.8865 155.8548 5.492373 147.8724 4.351662 7.982422       7.007362 
1 1 1 -4  4  2  o 240.5646 3.735477 4944.760       153.4545 4925.188       217.8668 4964.029       216.1781 240.0004 5.315904 240.9489 5.253937 -0.9484863     7.474134 
1 1 1 -4  4  3  o 203.5493 3.399208 3539.773       118.1543 3542.587       167.0186 3536.954       167.1723 203.5685 4.804545 203.4061 4.812805 0.1623383      6.800496 
1 1 1 -4  4  4  o 213.7733 3.549246 3904.702       129.5661 3978.402       183.3158 3831.133       183.1527 215.7072 4.976606 211.6717 5.066972 4.035477       7.102170 
1 1 1 -4  4  5  o 178.6610 3.227519 2727.220       98.46923 2852.753       139.1464 2601.288       139.3669 182.6714 4.460662 174.4236 4.678997 8.247849       6.464559 
1 1 1 -4  4  6  o 99.04494 3.699195 838.3934       62.56644 868.2069       76.36109 777.4963       109.1350 100.7696 4.437522 95.03628 6.768930 5.733368       8.093825 
1 1 1 -4  4  7  o 115.1330 3.960240 1133.077       77.86163 1121.755       96.03430 1154.797       133.0135 114.5219 4.910617 115.9127 6.749105 -1.390869      8.346531 
1 1 1 -4  4  8  f 444.5092 8.811545 16957.28       668.8593 16775.95       926.9673 17154.24       966.0634 441.0568 12.30745 445.8631 12.68826 -4.806366      17.67669 
1 1 1 -4  4  9  o 244.2405 4.401301 5098.741       183.5696 5007.107       225.0341 5280.996       317.3654 241.9685 5.446124 248.3213 7.484172 -6.352783      9.255977 
1 1 1 -4  4  10 o 197.6106 4.363419 3336.856       147.2445 3308.947       180.3995 3392.559       254.8582 196.7422 5.369524 199.0988 7.495974 -2.356552      9.220706 
1 1 1 -4  4  11 o 465.5096 7.163391 18534.43       569.4417 18413.49       697.2965 18776.56       986.6537 463.7840 8.804400 467.7447 12.35247 -3.960693      15.16908 
1 1 1 -4  4  12 o 292.8965 4.865951 7330.301       243.3794 6833.808       301.0804 8266.422       413.4204 282.7362 6.235898 310.8575 7.788049 -28.12125      9.976980 
1 1 1 -4  4  13 o 376.0984 5.042784 12087.40       323.8723 12274.54       456.9423 11898.48       459.1146 378.8484 7.063078 372.9874 7.208169 5.861023       10.09182 
1 1 1 -4  4  14 o 287.6169 3.822414 7066.787       187.7388 7058.654       264.5203 7075.042       266.4962 287.3791 5.390164 287.7107 5.424169 -0.3315735     7.646926 
1 1 1 -4  4  15 o 217.9129 3.457749 4056.372       128.6703 4025.543       178.5141 4089.707       185.6291 217.0363 4.816573 218.7529 4.969244 -1.716568      6.920459 
1 1 1 -4  4  16 o 516.3984 6.529480 22811.88       575.7917 22645.13       813.3535 22979.41       815.2349 514.0168 9.266167 517.8065 9.219626 -3.789734      13.07147 
1 1 1 -4  4  17 o 175.8595 3.566372 2642.466       107.1012 2604.539       131.2166 2718.162       185.3777 174.5607 4.401902 178.2404 6.090452 -3.679657      7.514675 
1 1 1 -4  4  18 o 189.8606 5.991541 3085.500       194.2564 2597.881       492.5459 3175.318       211.3913 171.9229 16.99959 192.5679 6.428378 -20.64494      18.17443 
1 1 1 -4  4  19 o 178.3506 3.714871 2719.243       113.1411 2691.787       161.0433 2746.003       158.9877 177.3351 5.317972 179.1220 5.197717 -1.786926      7.436202 
1 1 1 -4  4  20 o 103.6270 3.346502 918.0164       59.21969 871.1623       81.76070 969.7231       85.89040 100.8855 4.745851 106.4407 4.725363 -5.555191      6.697176 
1 1 1 -4  4  21 f 170.7431 3.205339 2492.479       93.45854 2576.601       132.2883 2408.656       132.0527 173.4929 4.465168 167.7292 4.610379 5.763626       6.418202 
1 1 1 -4  4  22 o 237.4153 3.557550 4821.878       144.2320 4753.273       203.4119 4891.248       204.5426 235.4916 5.058235 238.8930 5.013931 -3.401398      7.122166 
1 1 1 -4  4  23 o 226.1112 3.958022 4376.932       152.8277 4502.966       215.6013 4249.652       216.6647 229.0583 5.511929 222.4819 5.702844 6.576309       7.931190 
1 1 1 -4  4  24 o 109.0752 3.829883 1018.647       71.33678 1124.600       94.76002 880.0560       108.3763 114.5127 4.845845 100.9515 6.318474 13.56125       7.962747 
1 1 1 -4  4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  4  26 o 89.48281 4.834414 689.1426       73.59884 723.3383       100.9143 650.2849       107.5736 91.39484 6.508420 86.45885 7.355990 4.935997       9.821920 
1 1 1 -4  4  27 f 84.81050 4.841762 619.7914       69.83132 721.1223       93.37899 491.2193       105.1845 91.28581 6.024103 74.73962 8.386025 16.54619       10.32547 
1 1 1 -4  4  28 o 64.31380 5.871650 360.1092       63.77499 371.3249       88.48877 347.9866       91.99638 64.74479 8.186469 62.44873 8.876554 2.296059       12.07524 
1 1 1 -4  4  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  4  30 o 66.68781 5.532197 388.3474       62.43194 400.5137       83.22224 372.6876       94.41791 67.16595 7.377374 64.23483 8.841955 2.931122       11.51546 
1 1 1 -4  4  31 o 49.74568 7.989788 224.6875       65.57489 246.4031       90.28657 200.4434       95.39821 51.07322 10.69492 45.54522 12.07123 5.528000       16.12749 
1 1 1 -4  4  32 o 82.04516 5.442854 590.7191       75.82440 542.4407       103.0983 647.5989       111.9062 77.45611 7.905411 84.73811 7.821728 -7.282005      11.12092 
1 1 1 -4  4  33 o 23.32159 9.645187 22.79283       62.58438 25.99262       85.88493 19.16998       91.38637 26.44858 11.14363 26.55663 11.35343 -0.1080475     15.90851 
1 1 1 -4  4  34 o 28.23911 10.23271 69.06264       63.55120 6.846447       83.97184 152.4733       97.22833 24.57739 10.69679 38.61726 12.71965 -14.03987      16.61959 
1 1 1 -4  5  1  o 239.2154 3.879385 4891.114       158.4725 4878.120       224.7789 4903.956       223.4549 238.7693 5.512838 239.4050 5.465811 -0.6357727     7.763149 
1 1 1 -4  5  2  o 251.5449 3.938160 5408.463       169.1651 5147.548       239.3671 5668.806       239.1044 245.2554 5.715364 257.4014 5.439698 -12.14592      7.890228 
1 1 1 -4  5  3  o 224.9803 3.365415 4325.233       129.2960 4473.885       183.0684 4177.283       182.6366 228.7274 4.686981 221.0042 4.839332 7.723267       6.736981 
1 1 1 -4  5  4  o 77.59155 3.004455 514.3767       39.80907 550.5759       57.15026 480.2579       55.48377 80.14168 4.190532 74.82046 4.361450 5.321220       6.048372 
1 1 1 -4  5  5  o 75.75984 3.093435 490.3885       40.02045 501.0708       58.44880 480.9601       54.91160 76.41997 4.498697 74.88050 4.312544 1.539467       6.231879 
1 1 1 -4  5  6  o 61.34515 3.229850 322.4292       33.71568 328.7590       46.44282 315.3761       49.02416 61.85380 4.426189 60.54182 4.780805 1.311981       6.515155 
1 1 1 -4  5  7  o 308.1545 5.108469 8120.296       268.8198 8004.373       333.7853 8334.277       453.4930 305.8152 6.391551 311.7652 8.518067 -5.950012      10.64938 
1 1 1 -4  5  8  o 186.4884 3.830460 2971.531       121.9845 2865.250       149.2886 3185.048       211.5993 183.0874 4.774921 192.9496 6.421972 -9.862183      8.002600 
1 1 1 -4  5  9  o 236.3520 4.745545 4773.851       191.5347 4740.099       234.5474 4841.412       331.8432 235.4627 5.833196 237.8154 8.171298 -2.352676      10.03974 
1 1 1 -4  5  10 o 76.59049 3.550931 501.0744       46.44287 446.2819       53.22135 676.0137       95.09752 72.14393 4.340202 88.69767 6.319814 -16.55374      7.666642 
1 1 1 -4  5  11 o 259.8302 3.974616 5767.200       176.3546 5458.985       212.6771 6445.569       315.5200 252.7584 4.927347 274.5606 6.729562 -21.80217      8.340609 
1 1 1 -4  5  12 o 337.6142 5.427273 9741.507       312.8991 9762.961       382.6205 9698.193       543.6691 337.9067 6.630856 336.5371 9.460188 1.369537       11.55264 
1 1 1 -4  5  13 o 461.1818 6.680389 18187.97       526.1091 17689.99       643.7945 19189.11       912.8237 454.6356 8.292433 473.0283 11.30050 -18.39276      14.01663 
1 1 1 -4  5  14 o 357.0156 4.932362 10892.90       300.7074 10465.42       372.8920 11687.90       508.5155 349.8438 6.241757 369.5324 8.058417 -19.68854      10.19302 
1 1 1 -4  5  15 o 158.8725 3.451526 2156.200       93.64010 2249.461       126.9030 2044.729       138.7416 162.2407 4.580472 154.6598 5.253242 7.580902       6.969740 
1 1 1 -4  5  16 f 124.4688 4.701704 1324.299       99.93499 1532.216       145.4249 1138.260       137.5616 133.8204 6.363770 115.1010 7.032415 18.71934       9.484326 
1 1 1 -4  5  17 o 192.0608 3.648142 3152.254       119.6499 3167.510       195.1239 3143.061       151.4694 192.3892 5.939200 191.7306 4.626275 0.6585236      7.528380 
1 1 1 -4  5  18 o 317.8438 4.060617 8637.188       220.3980 8400.042       310.8954 8876.772       312.4903 313.2334 5.812251 322.0184 5.682690 -8.785004      8.128667 
1 1 1 -4  5  19 o 170.1156 3.549749 2474.054       103.1202 2540.449       144.2269 2404.615       147.4960 172.2844 4.902284 167.5941 5.153705 4.690369       7.112880 
1 1 1 -4  5  20 o 225.2002 3.747664 4337.535       144.1223 4373.340       200.2733 4299.077       207.5616 225.9528 5.190431 223.9924 5.426399 1.960312       7.509087 
1 1 1 -4  5  21 o 237.7356 3.926291 4836.007       159.3965 4629.387       222.3192 5054.574       228.6556 232.3450 5.603273 242.7970 5.514887 -10.45201      7.861975 
1 1 1 -4  5  22 o 267.9059 3.994110 6143.819       182.7277 6330.806       258.1062 5955.931       258.7268 271.6286 5.564434 263.4195 5.751638 8.209106       8.002766 
1 1 1 -4  5  23 o 176.0975 3.457184 2653.422       103.9627 2661.503       146.5625 2645.238       147.4930 176.1802 4.871511 175.6340 4.917686 0.5462341      6.922084 
1 1 1 -4  5  24 o 118.6902 11.11996 1241.838       222.7552 1284.200       317.7271 1200.888       312.3877 118.7630 16.07994 114.6346 16.42754 4.128448       22.98758 
1 1 1 -4  5  25 o 138.4306 3.549870 1640.379       83.91633 1644.244       117.4383 1636.346       119.9529 138.4246 4.968148 138.0751 5.087371 0.3495636      7.110826 
1 1 1 -4  5  26 o 118.8092 4.175447 1209.989       84.71397 1307.861       112.0419 1079.360       129.4399 123.3702 5.318245 111.6457 6.822022 11.72445       8.650071 
1 1 1 -4  5  27 o 59.95097 6.289633 313.5785       63.43141 332.8020       80.44659 281.9842       103.1327 61.42926 7.848238 55.56387 11.25508 5.865391       13.72121 
1 1 1 -4  5  28 o 106.6591 4.458580 978.6004       81.20757 1088.846       107.9950 835.1514       123.1887 112.1153 5.659030 97.62047 7.445880 14.49484       9.352313 
1 1 1 -4  5  29 o ?        ?        -325.9380      57.84806 -323.8279      67.91145 -331.5176      110.4306 ?        ?        16.77851 8.447251 0.000000       8.447251 
1 1 1 -4  5  30 o 70.54622 7.904263 444.8459       93.58516 440.9957       110.2535 454.7706       177.0151 69.55052 9.533955 67.32071 15.68830 2.229813       18.35808 
1 1 1 -4  5  31 o 31.33378 12.61136 57.95762       103.5367 7.092799       147.0252 107.9976       145.8282 32.15001 14.06909 38.14130 15.09416 -5.991287      20.63427 
1 1 1 -4  5  32 o 92.41497 5.056602 747.3473       79.49749 719.0328       101.7119 791.8000       127.4434 89.83801 6.677681 93.42554 8.067346 -3.587524      10.47251 
1 1 1 -4  5  33 o 43.33033 9.129123 179.1897       65.41779 177.6866       88.04387 181.0422       97.74406 41.98223 11.79368 42.08133 12.60886 -0.9909439E-01 17.26483 
1 1 1 -4  5  34 o 33.23880 10.59730 108.3378       67.80810 112.4797       89.96501 102.8900       103.1773 34.12573 12.19868 33.69802 12.87330 0.4277115      17.73498 
1 1 1 -4  6  1  o 306.1587 4.574015 8012.996       239.1366 7789.308       338.2787 8236.449       338.1019 301.6601 6.566816 310.2191 6.382298 -8.559082      9.157335 
1 1 1 -4  6  2  o 349.9381 4.819787 10470.07       288.0189 10483.62       407.5806 10456.56       407.0605 349.9242 6.820835 349.4722 6.820941 0.4519958      9.646193 
1 1 1 -4  6  3  o 249.1640 3.948425 5305.626       168.0007 5215.748       237.9894 5394.902       237.1903 246.9277 5.643987 251.1420 5.530643 -4.214279      7.902063 
1 1 1 -4  6  4  o 368.8397 5.265893 11633.48       331.6741 12008.62       469.2494 11258.94       468.8670 374.4708 7.338104 362.5587 7.573025 11.91208       10.54507 
1 1 1 -4  6  5  o 226.0783 4.112555 4367.748       158.7715 4329.771       224.5181 4405.738       224.5555 224.9962 5.843515 226.9648 5.793797 -1.968521      8.228897 
1 1 1 -4  6  6  o 240.6681 4.207236 4949.367       172.9089 4893.779       244.5869 5004.903       244.4734 239.2167 5.987421 241.9218 5.917724 -2.705154      8.418353 
1 1 1 -4  6  7  o 249.1829 4.331479 5305.440       184.3132 5203.679       260.6624 5407.196       260.6541 246.6892 6.187659 251.4739 6.069734 -4.784729      8.667686 
1 1 1 -4  6  8  o 576.2207 9.887744 28443.02       972.9443 28312.04       1208.106 28684.75       1641.258 574.3732 12.31711 576.9279 16.65918 -2.554688      20.71809 
1 1 1 -4  6  9  o 302.8896 5.310627 7840.134       274.6831 7619.625       334.7576 8294.566       480.5647 298.5302 6.566596 311.2838 9.040519 -12.75369      11.17368 
1 1 1 -4  6  10 o 199.8919 3.641443 3413.050       124.2999 3325.731       149.5422 3608.221       223.5731 197.2985 4.438521 205.4398 6.372838 -8.141357      7.766179 
1 1 1 -4  6  11 o 359.3563 4.722597 11034.16       289.8065 10997.89       334.1265 11144.32       582.3041 358.7215 5.454457 360.7503 9.452381 -2.028809      10.91323 
1 1 1 -4  6  12 o 212.8726 3.790688 3871.047       137.7970 3789.656       167.1295 4043.835       243.5121 210.5963 4.647296 217.4634 6.557411 -6.867065      8.037226 
1 1 1 -4  6  13 o 423.4344 6.301717 15331.88       455.6663 14877.46       553.6453 16285.98       802.2311 416.9488 7.775833 435.7820 10.78024 -18.83316      13.29199 
1 1 1 -4  6  14 o 276.1310 5.414095 6518.387       255.2954 6552.331       261.1887 5791.545       1208.616 276.8419 5.524851 254.7778 28.25538 22.06416       28.79046 
1 1 1 -4  6  15 o 146.0386 6.257579 1824.578       156.0544 1703.450       468.4455 1839.698       165.5082 138.4098 20.43391 146.6258 6.610089 -8.216003      21.47645 
1 1 1 -4  6  16 o 192.3079 3.735914 3160.410       122.6863 3083.798       152.0140 3303.548       207.7833 189.9154 4.687287 196.4656 6.193302 -6.550201      7.767087 
1 1 1 -4  6  17 o 190.8693 3.457971 3113.435       112.7092 3217.654       157.3465 3003.606       161.5253 193.9592 4.750562 187.3760 5.048061 6.583160       6.931865 
1 1 1 -4  6  18 o 203.5116 3.470051 3540.358       120.5944 3458.388       168.6584 3626.103       172.4988 201.0265 4.913069 205.8438 4.907343 -4.817261      6.944081 
1 1 1 -4  6  19 o 203.5735 3.677810 3543.975       127.8535 3669.514       179.9083 3415.880       181.7297 207.0005 5.089532 199.6899 5.329272 7.310577       7.369157 
1 1 1 -4  6  20 o 112.5482 3.433151 1083.240       65.98318 1128.762       91.46238 1033.834       95.28349 114.8132 4.664968 109.8501 5.079432 4.963074       6.896562 
1 1 1 -4  6  21 o 208.3066 3.782140 3713.022       134.5373 3634.790       188.8417 3793.657       191.7198 205.8719 5.371542 210.3286 5.337854 -4.456726      7.572724 
1 1 1 -4  6  22 o 161.1506 3.482751 2221.957       95.84206 2154.100       132.7520 2295.832       138.5138 158.5096 4.904376 163.6340 4.956986 -5.124390      6.973135 
1 1 1 -4  6  23 o 197.0155 3.699779 3322.739       124.4738 3187.119       176.0835 3458.203       175.9817 192.6813 5.351521 200.7516 5.133417 -8.070358      7.415575 
1 1 1 -4  6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  6  25 o 235.1100 4.127332 4737.155       165.7076 4720.120       232.8369 4754.639       235.8848 234.2605 5.820372 235.0992 5.875527 -0.8386993     8.270341 
1 1 1 -4  6  26 o 171.9573 3.825269 2533.928       112.3271 2641.927       155.5009 2416.083       162.4350 175.3150 5.194118 167.5453 5.677346 7.769684       7.694876 
1 1 1 -4  6  27 o 50.09168 6.934370 221.4965       57.72546 292.7104       73.13384 103.8068       94.01669 57.53712 7.631663 35.66606 12.49729 21.87106       14.64324 
1 1 1 -4  6  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  6  29 o 80.39845 5.326716 562.1512       72.71799 598.6066       97.76969 517.0161       108.7880 82.43850 7.011577 76.01067 8.528273 6.427834       11.04055 
1 1 1 -4  6  30 o 59.48047 6.319093 312.7244       63.20163 342.4424       83.62013 273.1273       96.52325 61.61222 8.147576 53.81667 10.87712 7.795544       13.59024 
1 1 1 -4  6  31 o 38.38975 9.168593 138.6752       59.27940 73.63378       76.87769 234.0616       93.09979 30.32440 11.21206 49.19177 11.31822 -18.86737      15.93149 
1 1 1 -4  6  32 o 56.80211 7.010774 291.8682       66.56067 250.0248       89.76666 342.9691       99.20081 50.70225 10.70380 60.01545 10.03367 -9.313198      14.67126 
1 1 1 -4  6  33 o 33.60566 13.31226 90.75607       113.5329 170.8446       172.3117 29.31436       150.9250 41.49057 16.41142 32.32031 14.19618 9.170261       21.69946 
1 1 1 -4  6  34 o 51.91481 8.320123 254.8851       71.26923 307.0839       96.43478 192.0626       105.7940 55.55809 10.55029 42.20101 13.20985 13.35708       16.90588 
1 1 1 -4  7  1  o 186.8477 3.496706 2982.219       111.5704 3137.576       160.6536 2837.486       155.0634 191.6116 4.909833 182.2158 4.983351 9.395874       6.995730 
1 1 1 -4  7  2  o 378.6859 5.447193 12257.49       352.2522 12077.66       504.3869 12428.70       492.1580 375.6772 7.862255 381.1299 7.561876 -5.452728      10.90858 
1 1 1 -4  7  3  o 264.8121 3.724995 5990.528       168.4478 6214.526       238.6097 5767.984       237.8346 269.6544 5.181777 259.7770 5.361329 9.877380       7.456182 
1 1 1 -4  7  4  o 160.4599 3.330198 2199.239       91.25114 2274.346       129.7453 2125.723       128.3630 163.1467 4.657055 157.7233 4.765870 5.423462       6.663458 
1 1 1 -4  7  5  o 79.98847 3.191187 546.4783       43.58947 555.7233       62.02353 537.4558       61.27295 80.52110 4.529103 79.18090 4.550680 1.340195       6.420394 
1 1 1 -4  7  6  o 178.1534 3.567224 2711.035       108.5241 2651.966       153.6713 2769.804       153.2821 176.1646 5.108251 180.0394 4.985651 -3.874832      7.137993 
1 1 1 -4  7  7  o 807.0560 10.42694 55800.66       1437.019 53441.80       2032.034 58160.53       2032.470 788.3654 15.09390 822.6685 14.46763 -34.30316      20.90785 
1 1 1 -4  7  8  f 636.8373 9.016483 34715.95       980.5453 34487.48       1386.629 34944.47       1386.772 633.9223 12.80921 638.1295 12.72607 -4.207214      18.05626 
1 1 1 -4  7  9  o 274.7912 4.367325 6451.262       204.9370 6506.683       254.2235 6348.407       346.3295 275.9243 5.395402 272.4322 7.444388 3.492126       9.193981 
1 1 1 -4  7  10 o 483.2095 6.186037 19962.07       510.4461 20334.07       624.7513 19215.10       885.2958 487.5424 7.504001 473.4291 10.95044 14.11325       13.27487 
1 1 1 -4  7  11 o 41.30962 11.82004 149.8358       87.60109 78.25283       116.8700 241.6248       132.3406 36.09153 13.72154 52.20659 14.38432 -16.11507      19.87937 
1 1 1 -4  7  12 o 167.2497 4.346290 2390.139       124.1327 2278.531       180.4334 2490.432       171.0430 163.2249 6.473343 170.6709 5.868726 -7.445984      8.737626 
1 1 1 -4  7  13 o 71.07816 10.11706 441.8831       119.3326 365.2903       128.8108 905.6248       316.9539 64.15310 12.20392 100.5832 19.15259 -36.43015      22.71029 
1 1 1 -4  7  14 o 110.3188 7.649849 1047.248       143.2231 1449.935       427.3807 996.3033       152.0131 127.4789 20.31426 107.5067 8.345660 19.97221       21.96177 
1 1 1 -4  7  15 o 236.6279 5.666863 4790.513       228.9868 4559.314       324.4979 5019.835       323.1787 230.5877 8.240886 242.0043 7.820196 -11.41666      11.36080 
1 1 1 -4  7  16 o 73.17345 3.697583 458.8147       46.05359 428.5027       53.69599 543.1482       89.56428 70.64706 4.473980 79.34549 6.672076 -8.698433      8.033250 
1 1 1 -4  7  17 o 118.2336 3.508373 1194.963       70.83512 1175.991       85.73477 1235.766       125.7371 117.2583 4.281654 119.9351 6.160038 -2.676826      7.501908 
1 1 1 -4  7  18 o 54.63632 4.477882 257.1592       41.41174 259.3040       46.52351 248.9761       90.87179 54.80177 5.027416 52.77814 10.45234 2.023632       11.59855 
1 1 1 -4  7  19 o 86.10962 3.476403 634.0941       51.11916 592.5955       60.78139 734.3919       94.49295 83.09949 4.297924 92.33166 6.026080 -9.232162      7.401742 
1 1 1 -4  7  20 o 160.1976 3.506324 2195.223       95.92017 2212.474       131.7558 2175.768       139.9147 160.6973 4.801306 159.3186 5.142747 1.378738       7.035651 
1 1 1 -4  7  21 o 200.6818 3.816466 3447.049       130.7890 3493.361       182.4974 3398.146       187.5325 201.7979 5.295879 198.9888 5.518816 2.809128       7.648769 
1 1 1 -4  7  22 o 236.5030 4.064901 4790.328       164.1680 5034.032       231.1359 4542.219       233.2154 242.1171 5.590364 229.9011 5.940380 12.21600       8.157223 
1 1 1 -4  7  23 f 59.14389 21.51620 287.5175       281.3798 506.7180       332.1622 -269.5012      529.4979 73.06508 23.47160 53.70193 24.77775 19.36315       34.12994 
1 1 1 -4  7  24 o 119.6553 3.689241 1225.910       75.38258 1325.777       103.3040 1112.164       110.2487 124.3044 4.866633 113.7508 5.675670 10.55367       7.476452 
1 1 1 -4  7  25 o 84.80909 4.090502 616.4909       59.24081 637.4357       80.87685 592.2446       87.01814 85.92551 5.541429 82.69165 6.207648 3.233864       8.321198 
1 1 1 -4  7  26 o 94.78577 3.902647 770.4876       63.16906 975.2986       85.60682 525.6658       93.59589 106.5363 4.705532 77.57951 7.145235 28.95682       8.555490 
1 1 1 -4  7  27 f 93.33290 4.225246 748.8436       67.34241 787.1031       89.04092 697.7112       102.9362 95.31232 5.493927 89.36742 6.796003 5.944893       8.738929 
1 1 1 -4  7  28 o ?        ?        -162.2700      37.53281 -143.2761      44.14064 -211.8490      71.31480 10.40850 5.252830 13.62558 6.850492 -3.217079      8.632582 
1 1 1 -4  7  29 o 22.03340 8.580494 28.50834       46.47702 20.81421       59.24324 40.82281       74.94918 23.09300 9.448959 27.13172 10.79452 -4.038721      14.34589 
1 1 1 -4  7  30 o 35.59919 9.660768 118.9038       60.22828 77.30698       78.23052 179.4398       94.37418 30.97076 11.33315 43.02614 12.25372 -12.05538      16.69114 
1 1 1 -4  7  31 o 116.4452 4.554943 1178.052       90.57461 1303.569       125.0615 1039.585       131.3537 121.7129 6.017071 107.8144 7.175483 13.89843       9.364437 
1 1 1 -4  7  32 o 40.34902 9.492562 156.8546       64.31313 133.3168       81.15955 196.5809       105.4374 36.79076 11.57888 43.62464 13.10120 -6.833878      17.48461 
1 1 1 -4  7  33 o 25.82961 10.93626 25.60939       83.37200 25.65111       101.8050 25.52442       145.2773 27.71921 11.92023 31.37974 13.84994 -3.660524      18.27328 
1 1 1 -4  8  1  o 98.53457 3.391872 829.2791       57.07290 817.4750       80.68528 841.0997       80.74129 97.81323 4.830530 99.21748 4.765468 -1.404251      6.785551 
1 1 1 -4  8  2  o 148.7021 3.400863 1888.683       86.35912 1838.514       123.1081 1937.288       121.1753 146.6858 4.914697 150.5791 4.712458 -3.893234      6.808928 
1 1 1 -4  8  3  o 291.6152 4.451411 7265.330       221.6714 7200.106       313.8088 7330.289       313.1736 290.2133 6.332072 292.8291 6.262808 -2.615753      8.906060 
1 1 1 -4  8  4  o 332.1190 5.058690 9425.455       286.9021 9193.734       405.9087 9656.793       405.5732 327.8748 7.249673 336.0438 7.067591 -8.169067      10.12465 
1 1 1 -4  8  5  o 551.2390 7.978392 25996.52       751.0299 25253.92       1062.221 26738.83       1062.012 542.7359 11.46105 558.5284 11.13480 -15.79248      15.97934 
1 1 1 -4  8  6  o 363.0887 4.860083 11264.85       301.3412 10760.53       425.3930 11772.84       426.9326 354.7223 7.022633 371.0560 6.737799 -16.33368      9.732179 
1 1 1 -4  8  7  o 446.3135 6.186452 17029.42       471.5021 16661.82       666.5386 17397.61       667.0711 441.1795 8.847245 450.8393 8.664598 -9.659851      12.38342 
1 1 1 -4  8  8  o 160.2720 2.807679 2193.837       76.84346 2235.701       109.7275 2153.543       107.6484 161.7721 3.972008 158.7719 3.970381 3.000198       5.616117 
1 1 1 -4  8  9  o 206.0020 3.843549 3625.312       135.2091 3784.132       191.6508 3467.929       190.7812 210.4143 5.333759 201.4231 5.546568 8.991257       7.695025 
1 1 1 -4  8  10 o 542.3487 7.556757 25169.85       699.8677 25104.95       868.5138 25290.02       1181.895 541.3259 9.395416 542.5448 12.75678 -1.218933      15.84328 
1 1 1 -4  8  11 o 217.9669 7.843317 4066.957       291.9391 3964.811       306.0066 5101.924       974.0546 215.1771 8.327849 240.4433 24.04535 -25.26620      25.44665 
1 1 1 -4  8  12 o 371.4748 9.418859 11831.98       597.4886 10770.37       2076.043 11927.85       623.8851 343.2593 35.95035 372.9127 9.797055 -29.65335      37.26138 
1 1 1 -4  8  13 o 225.8463 5.014301 4361.271       193.3861 4293.111       276.6469 4426.404       270.4373 223.9032 7.235419 227.3770 6.964952 -3.473862      10.04300 
1 1 1 -4  8  14 o 270.2121 6.303698 6250.769       290.8722 6106.501       413.3194 6392.327       409.4191 266.6971 9.075397 272.9143 8.784961 -6.217255      12.63085 
1 1 1 -4  8  15 o 232.7420 6.177076 4639.186       245.5046 4504.144       348.4572 4772.290       345.9483 228.9539 8.912497 235.7227 8.594250 -6.768738      12.38118 
1 1 1 -4  8  16 o 150.8952 5.004782 1948.812       128.9623 1815.070       187.9730 2067.741       177.2586 145.2010 7.607420 155.2849 6.684610 -10.08395      10.12704 
1 1 1 -4  8  17 o 110.6139 5.185612 1047.908       97.95165 901.4279       137.3739 1199.401       139.7046 102.0803 7.943167 117.9923 6.964408 -15.91207      10.56394 
1 1 1 -4  8  18 o 185.5699 4.923682 2949.497       156.0269 2853.247       220.1573 3046.623       221.1567 182.2135 7.075396 188.3205 6.877024 -6.107010      9.866847 
1 1 1 -4  8  19 o 491.4972 6.966598 20774.12       584.7144 19929.89       720.8981 22397.46       999.6498 480.3951 8.787662 507.1935 11.54177 -26.79831      14.50639 
1 1 1 -4  8  20 o 247.4074 4.573099 5244.425       193.2080 5018.831       237.5728 5685.063       332.0280 241.7847 5.753949 256.8216 7.570790 -15.03694      9.509195 
1 1 1 -4  8  21 o 147.1107 3.645894 1852.284       91.59047 1729.764       110.2973 2124.427       164.3841 142.0672 4.546416 157.2032 6.123453 -15.13600      7.626701 
1 1 1 -4  8  22 o 110.4723 19.15726 1142.003       348.3002 1096.630       434.7378 1223.327       582.0205 105.4511 24.59372 108.2618 30.29103 -2.810722      39.01791 
1 1 1 -4  8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  8  24 o 42.31642 5.793075 156.8433       40.76279 155.2881       50.04524 159.9088       70.26408 41.81616 7.272421 41.99386 9.950612 -0.1777000     12.32488 
1 1 1 -4  8  25 o 231.7823 4.075648 4607.693       161.3165 4235.889       222.3822 5020.631       234.3607 221.6995 5.873994 241.4346 5.684385 -19.73506      8.174108 
1 1 1 -4  8  26 o 37.98955 7.454250 129.7666       46.63107 184.8079       55.43256 -3.466837      86.24359 45.54291 7.380131 25.32028 10.92994 20.22263       13.18825 
1 1 1 -4  8  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  8  28 o 48.25499 6.345129 206.2690       51.01818 207.4468       63.03360 204.0318       86.87136 47.91528 7.984640 46.53762 11.08892 1.377659       13.66451 
1 1 1 -4  8  29 o 44.19390 7.124794 176.0107       51.94126 204.1059       65.67911 129.1019       84.86706 47.20949 8.457598 37.23415 11.85397 9.975334       14.56186 
1 1 1 -4  8  30 o 81.56391 5.141761 581.7745       71.24973 563.6217       92.50413 608.2515       111.7183 79.54149 6.877965 82.02164 8.081138 -2.480156      10.61184 
1 1 1 -4  8  31 o 93.98474 4.948092 773.7314       79.13426 693.3448       100.1410 907.4013       129.1330 88.02396 6.712676 100.1281 7.609236 -12.10410      10.14694 
1 1 1 -4  8  32 o 69.11053 6.187744 427.5350       72.25320 340.8627       95.00087 546.4620       111.2828 59.73303 9.641824 76.60256 8.659154 -16.86953      12.95939 
1 1 1 -4  8  33 o 44.40151 8.964906 190.5427       65.63264 161.2707       84.81327 234.2393       103.6244 39.44590 11.72854 46.89970 12.64874 -7.453800      17.24961 
1 1 1 -4  9  1  o 198.6310 3.356766 3370.002       113.8597 3575.667       162.1324 3169.878       159.9339 204.5669 4.641223 192.6029 4.862682 11.96402       6.722100 
1 1 1 -4  9  2  o 419.9455 5.762652 15074.51       413.2542 15127.09       584.9471 15022.11       583.9138 420.4429 8.147186 418.9799 8.161193 1.463043       11.53177 
1 1 1 -4  9  3  o 451.5738 5.976960 17432.32       460.9045 17488.15       652.0342 17376.57       651.6009 452.0235 8.447096 450.5765 8.468593 1.447052       11.96121 
1 1 1 -4  9  4  o 454.4999 6.487559 17663.12       503.5204 17366.92       720.0649 17946.55       704.3655 450.3207 9.363706 457.8250 9.009416 -7.504242      12.99417 
1 1 1 -4  9  5  o 244.6568 4.046674 5113.710       169.0665 4822.088       240.6274 5398.026       237.5936 237.4999 5.933074 251.3031 5.536495 -13.80325      8.115056 
1 1 1 -4  9  6  o 478.2880 6.804405 19565.00       555.7527 19243.33       786.1045 19886.43       785.8016 473.9276 9.713289 481.8090 9.550718 -7.881348      13.62220 
1 1 1 -4  9  7  o 220.8793 3.931465 4168.080       148.2898 3917.858       209.5405 4419.129       209.8868 214.0762 5.731887 227.3748 5.405563 -13.29858      7.878746 
1 1 1 -4  9  8  o 203.2055 3.277744 3527.193       113.7398 3558.554       160.9228 3495.886       160.7819 204.0637 4.617957 202.2575 4.655116 1.806213       6.557105 
1 1 1 -4  9  9  f 408.6271 5.108619 14272.96       356.4779 14131.05       504.5804 14414.37       503.6926 406.3568 7.271450 410.4210 7.186774 -4.064270      10.22368 
1 1 1 -4  9  10 o 41.90560 9.128026 156.3745       63.47187 111.8302       75.45055 264.2128       117.3960 36.12495 11.13092 54.33477 12.85348 -18.20981      17.00322 
1 1 1 -4  9  11 o 154.4263 5.993870 2040.206       158.0631 1394.206       441.8661 2134.999       169.2633 124.5482 21.55591 157.9581 6.275075 -33.40987      22.45069 
1 1 1 -4  9  12 o 101.8695 4.905008 887.4119       85.32684 823.2503       120.3275 952.3102       121.0162 97.76201 7.259458 105.2400 6.769729 -7.477989      9.926175 
1 1 1 -4  9  13 o 133.8754 5.690154 1533.951       130.0848 1411.547       183.5804 1657.393       184.3575 127.9646 8.448613 138.7945 7.810077 -10.82996      11.50549 
1 1 1 -4  9  14 o 294.8566 6.176884 7448.008       311.0156 7603.567       441.1117 7294.228       438.5842 297.4371 8.684631 291.2946 8.816954 6.142517       12.37584 
1 1 1 -4  9  15 o 150.6155 4.978306 1941.865       128.0422 1841.331       186.7968 2030.967       175.8560 146.2391 7.505323 153.8740 6.692526 -7.634979      10.05583 
1 1 1 -4  9  16 o 22.24741 8.871346 21.58232       50.72757 -48.51165      75.79476 78.45399       68.27267 20.97579 9.564166 31.31982 10.66400 -10.34403      14.32460 
1 1 1 -4  9  17 o 24.05005 9.447817 29.08683       56.74178 126.2570       94.35032 -25.96991      71.02026 38.60960 12.52066 21.58278 9.596749 17.02683       15.77544 
1 1 1 -4  9  18 o 133.5899 4.568657 1528.564       104.2231 1550.410       149.3224 1507.812       145.5379 134.3242 6.509819 132.4758 6.433358 1.848358       9.152368 
1 1 1 -4  9  19 o 169.4892 4.950987 2462.825       143.2965 2293.297       201.9903 2634.593       203.3200 163.1711 7.249125 174.9827 6.804295 -11.81165      9.942245 
1 1 1 -4  9  20 o 161.6829 4.966887 2242.047       137.1356 2042.359       193.2418 2444.644       194.6439 153.9058 7.352657 168.5085 6.764209 -14.60277      9.990800 
1 1 1 -4  9  21 o 34.43709 15.70229 -112.2112      204.3127 -55.10575      228.9521 -335.5086      452.7391 38.94234 17.27720 47.79282 22.34222 -8.850475      28.24317 
1 1 1 -4  9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9  23 o 157.4641 5.195160 2129.770       139.6955 2214.232       202.6386 2053.275       192.8437 160.0622 7.413639 154.1568 7.325559 5.905396       10.42237 
1 1 1 -4  9  24 o 158.5010 4.293330 2155.367       116.2059 1988.323       137.8515 2565.555       216.0174 152.0425 5.309390 172.1329 7.348913 -20.09039      9.066210 
1 1 1 -4  9  25 o 115.1511 4.299109 1139.132       84.53733 1069.865       101.4413 1296.593       152.9459 111.4119 5.331888 121.9171 7.381132 -10.50515      9.105500 
1 1 1 -4  9  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9  27 o 95.42963 4.814003 788.4798       78.19680 698.4030       95.65936 969.9031       135.7586 89.34899 6.310114 104.8129 7.637467 -15.46391      9.906990 
1 1 1 -4  9  28 o 56.80557 6.765000 286.7520       64.33305 324.8621       74.87042 179.2230       125.7631 60.27856 7.430858 43.40547 14.47441 16.87309       16.27041 
1 1 1 -4  9  29 o 86.78914 4.554187 654.4515       67.26031 629.5874       88.63714 688.2041       103.2722 84.50594 6.185208 88.02621 6.926147 -3.520271      9.285920 
1 1 1 -4  9  30 o 12.67548 6.254276 -102.0705      48.80553 -81.24267      61.85386 -136.4294      79.44457 16.13787 7.746852 16.93443 8.278720 -0.7965565     11.33803 
1 1 1 -4  9  31 o 22.63763 9.637998 11.58583       65.36498 23.26746       78.53193 -14.75668      117.9297 25.30882 10.65927 27.26024 12.22601 -1.951426      16.22021 
1 1 1 -4  9  32 o 79.11383 5.806945 558.8610       77.90354 502.9663       103.1613 633.0356       118.8391 73.33052 8.389116 82.17282 8.596178 -8.842300      12.01131 
1 1 1 -4  10 1  o 403.6123 5.645018 13926.95       389.0735 14023.05       550.7997 13831.25       549.6680 404.7456 7.969107 401.9633 8.007782 2.782318       11.29740 
1 1 1 -4  10 2  o 157.8161 3.228124 2127.435       86.99682 2365.111       124.8636 1903.209       121.2789 166.3686 4.395037 149.2313 4.759083 17.13733       6.478057 
1 1 1 -4  10 3  o 439.6773 5.368934 16525.25       403.1104 16313.80       569.8420 16737.05       570.3268 436.5935 7.643201 442.2332 7.552149 -5.639679      10.74493 
1 1 1 -4  10 4  o 417.1521 5.389515 14875.94       383.9247 14646.09       543.9003 15104.18       542.0076 413.6576 7.699747 420.0960 7.555356 -6.438446      10.78747 
1 1 1 -4  10 5  o 634.5260 8.104937 34474.21       878.2151 33729.71       1228.763 35251.64       1255.640 626.7502 11.48079 640.7357 11.47584 -13.98547      16.23279 
1 1 1 -4  10 6  f 195.2450 3.373437 3256.533       112.4746 3385.317       161.9426 3136.519       156.3320 199.0172 4.765062 191.5639 4.778948 7.453308       6.748641 
1 1 1 -4  10 7  o 68.11399 3.230333 396.3373       37.57383 394.1584       54.35693 398.3311       51.99648 67.74229 4.728526 68.12086 4.495106 -0.3785782     6.524181 
1 1 1 -4  10 8  f 261.9834 5.071517 5868.349       226.8891 5907.684       325.4968 5831.173       316.4342 262.6712 7.256587 260.9803 7.100252 1.690887       10.15242 
1 1 1 -4  10 9  o 230.3492 3.684907 4534.144       144.9490 4540.865       199.4983 4526.627       210.9592 230.4370 5.069732 230.0541 5.369903 0.3829041      7.384987 
1 1 1 -4  10 10 o 105.1715 2.910068 944.9572       52.26408 1029.774       73.67774 859.0504       74.14965 109.7647 3.930716 100.2429 4.331653 9.521843       5.849251 
1 1 1 -4  10 11 f 164.9787 3.615636 2326.224       101.8626 2129.503       124.9395 2716.215       175.9146 157.7992 4.636529 178.1371 5.782898 -20.33791      7.412107 
1 1 1 -4  10 12 o 138.0829 4.566051 1630.909       107.6670 1705.879       156.8738 1564.146       148.0384 141.0907 6.511039 135.1094 6.416333 5.981247       9.141277 
1 1 1 -4  10 13 o 237.2635 5.289476 4819.875       214.3115 4985.195       307.1306 4662.993       299.1898 240.9683 7.463821 233.0418 7.518150 7.926529       10.59392 
1 1 1 -4  10 14 o 22.84504 9.037781 24.49836       52.26535 30.04325       79.26707 20.23357       69.51757 27.41337 11.03427 25.11235 10.25083 2.301023       15.06103 
1 1 1 -4  10 15 o 93.27997 5.343929 748.0156       84.76933 789.1409       118.2899 704.5995       121.5400 95.54350 7.305478 90.13739 7.978521 5.406113       10.81789 
1 1 1 -4  10 16 o 226.5233 5.641657 4400.695       218.2335 4347.186       310.7977 4452.737       306.5047 224.6150 8.102837 227.3780 7.893811 -2.763016      11.31230 
1 1 1 -4  10 17 o 193.0049 5.511221 3195.621       181.6428 3030.374       258.3043 3357.277       255.4823 187.4451 8.069668 197.4134 7.578480 -9.968338      11.07036 
1 1 1 -4  10 18 o 184.7235 4.965954 2925.746       156.6487 3001.813       223.4544 2852.237       219.6637 186.7227 7.007933 181.9982 7.067881 4.724457       9.953194 
1 1 1 -4  10 19 f 171.6970 5.034513 2528.907       147.6122 2367.833       214.3358 2674.233       203.5888 165.6499 7.577077 176.2299 6.765072 -10.57997      10.15767 
1 1 1 -4  10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  10 22 o 147.5212 5.297873 1869.774       133.4621 1984.651       200.8561 1778.956       178.5880 151.2438 7.803476 143.3090 7.321987 7.934814       10.70074 
1 1 1 -4  10 23 o 16.88879 8.304658 -170.5409      83.61018 -210.8014      117.1148 -128.6914      119.4037 20.68390 10.09884 23.74674 11.21669 -3.062841      15.09307 
1 1 1 -4  10 24 o 206.3124 5.778415 3674.190       203.5804 3689.279       292.4878 3660.010       283.5334 205.5349 8.333363 204.8412 8.105598 0.6937103      11.62522 
1 1 1 -4  10 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  10 26 o 91.00587 6.898074 727.3531       106.4040 791.2657       150.2305 663.0176       150.7266 93.80752 9.509608 85.28844 10.57588 8.519073       14.22259 
1 1 1 -4  10 27 o 78.65232 6.879577 546.5779       91.47125 685.4003       138.5373 439.2834       121.7939 86.90280 9.489603 68.80520 10.71457 18.09760       14.31274 
1 1 1 -4  10 28 o 24.21077 10.42509 3.909197       78.06757 -73.61698      138.4039 40.08432       94.54295 27.47446 12.67351 29.01964 11.91246 -1.545183      17.39324 
1 1 1 -4  10 29 o 45.02491 7.020408 184.0632       52.21757 93.32332       57.73774 591.6902       122.3749 31.60294 9.737023 80.04662 9.115118 -48.44368      13.33773 
1 1 1 -4  10 30 o 21.08891 8.481271 23.20395       46.78650 30.51820       53.52257 -0.4914103     96.33494 22.87854 9.115785 25.75085 11.32549 -2.872309      14.53837 
1 1 1 -4  10 31 o 46.63394 7.417304 201.3467       57.08955 187.0250       67.68504 236.6536       106.2737 43.98653 9.301649 47.42243 12.81767 -3.435902      15.83709 
1 1 1 -4  11 1  o 235.3099 3.310754 4730.658       133.0359 4707.912       189.3172 4752.847       186.9869 234.6681 4.724262 235.7904 4.643903 -1.122253      6.624537 
1 1 1 -4  11 2  o 197.8083 3.465133 3343.147       117.0486 3404.148       167.0510 3284.315       164.0533 199.5371 4.902565 195.9936 4.901637 3.543488       6.932618 
1 1 1 -4  11 3  o 119.2228 3.232260 1214.368       65.80628 1265.655       97.53694 1171.516       89.15513 121.6740 4.694286 117.0687 4.459678 4.605240       6.474956 
1 1 1 -4  11 4  o 167.2290 3.128431 2389.160       89.33881 2432.061       128.3206 2348.804       124.4563 168.6739 4.454986 165.7642 4.396676 2.909744       6.259206 
1 1 1 -4  11 5  o 301.1187 3.808540 7748.775       195.8386 7920.105       278.9261 7582.199       275.0301 304.2963 5.367729 297.7302 5.409480 6.566132       7.620695 
1 1 1 -4  11 6  o 20.98756 6.952116 35.75655       29.03022 11.10822       44.96469 53.37422       38.01475 20.04363 8.220103 25.13891 7.926218 -5.095284      11.41906 
1 1 1 -4  11 7  o 189.5847 6.978854 3079.218       225.9380 3071.964       236.9374 3151.943       750.2496 189.3286 7.328508 187.0843 24.03988 2.244263       25.13211 
1 1 1 -4  11 8  o 59.62991 4.284369 305.5807       43.33595 291.3866       69.96946 314.4141       55.19724 57.85886 7.240206 60.37587 5.411090 -2.517002      9.038832 
1 1 1 -4  11 9  o 76.77234 3.738945 503.8292       49.01802 486.3606       71.17517 519.5900       67.60634 75.17056 5.584603 77.75703 5.120147 -2.586472      7.576523 
1 1 1 -4  11 10 o 381.9166 5.172457 12484.69       337.3397 12682.68       477.1911 12286.90       476.9497 384.4731 7.268160 378.3978 7.381117 6.075256       10.35891 
1 1 1 -4  11 11 o 185.3963 3.711098 2938.930       117.4912 3084.561       166.4626 2794.362       165.8543 189.8112 5.135621 180.6384 5.376689 9.172821       7.435280 
1 1 1 -4  11 12 o 151.6534 5.033783 1969.394       130.3613 1876.979       186.0650 2058.496       182.6985 147.8083 7.371638 154.8485 6.909170 -7.040237      10.10335 
1 1 1 -4  11 13 o 233.9952 5.807588 4694.698       232.0624 4608.281       329.5362 4779.714       326.8518 231.3173 8.342439 235.6333 8.122924 -4.315948      11.64380 
1 1 1 -4  11 14 f 165.2867 4.706926 2339.665       132.8548 2460.418       190.6296 2225.623       185.2558 169.2538 6.595535 160.9545 6.740104 8.299255       9.430274 
1 1 1 -4  11 15 o 168.5132 5.253079 2434.714       151.1645 2217.465       215.0100 2647.058       212.5687 160.4091 7.849241 175.4077 7.096575 -14.99858      10.58168 
1 1 1 -4  11 16 o 306.7709 6.637814 8093.492       347.7292 7624.744       492.6937 8558.717       490.8384 296.5323 9.729782 314.4524 9.140749 -17.92010      13.34998 
1 1 1 -4  11 17 o 116.3083 4.776480 1159.713       94.86819 1206.257       136.8095 1116.602       131.6661 118.1823 6.807740 113.6901 6.813274 4.492149       9.631512 
1 1 1 -4  11 18 o 75.91160 21.19203 551.2224       285.2098 587.1572       359.3117 490.0186       468.9241 78.04693 24.33063 74.79462 27.68360 3.252312       36.85595 
1 1 1 -4  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  11 20 o 119.4740 5.416125 1226.177       110.5004 1096.980       157.7653 1350.593       154.8188 112.2578 8.288493 124.8768 7.291751 -12.61903      11.03942 
1 1 1 -4  11 21 o 65.17469 7.634252 372.2620       83.35672 378.8911       114.5551 364.8021       121.5215 64.99341 10.69351 63.48542 11.63816 1.507992       15.80500 
1 1 1 -4  11 22 o 59.09924 9.785933 313.3414       95.30527 269.7500       161.5199 336.6246       118.0449 53.85195 16.22500 60.71698 11.81022 -6.865025      20.06818 
1 1 1 -4  11 23 o 111.1784 6.677532 1074.886       126.1888 1337.519       189.4489 865.4398       169.1818 123.1598 9.071710 98.49515 10.20673 24.66467       13.65552 
1 1 1 -4  11 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  11 25 o 55.06498 10.21739 279.4549       92.53909 280.4217       129.6202 278.4498       132.1567 53.81320 13.97927 53.55604 14.21415 0.2571640      19.93645 
1 1 1 -4  11 26 o 65.41908 7.928816 383.6141       86.76644 420.5278       131.9581 355.4993       115.1622 66.63406 12.03990 61.45934 11.39238 5.174717       16.57545 
1 1 1 -4  11 27 o 78.54877 6.954711 547.9676       92.32247 440.1431       139.3785 632.2602       123.2343 67.47570 12.55828 83.50282 8.773463 -16.02712      15.31940 
1 1 1 -4  11 28 o 40.95592 11.04062 163.2871       78.97205 129.1932       122.0406 187.8478       103.5824 37.91684 14.10525 43.31771 12.98012 -5.400875      19.16876 
1 1 1 -4  11 29 o 91.97185 6.781329 758.6765       105.7542 790.5033       171.5731 739.1760       134.2996 90.14767 11.40015 89.23825 8.932941 0.9094162      14.48313 
1 1 1 -4  11 30 o 28.13433 11.38402 50.93642       84.85210 79.01650       119.4362 22.32076       120.5698 32.93047 13.43857 29.35329 12.79561 3.577173       18.55593 
1 1 1 -4  11 31 o 54.59071 9.517558 289.5674       85.49915 226.2779       130.6886 336.9247       113.0486 44.65575 14.74864 57.06091 11.98314 -12.40516      19.00311 
1 1 1 -4  12 1  o 343.0571 4.995961 10068.98       292.6761 9894.919       415.3020 10240.72       412.5251 339.7166 7.158883 345.6354 6.989244 -5.918823      10.00496 
1 1 1 -4  12 2  o 159.1777 3.469645 2165.516       94.31248 2255.354       137.6491 2086.023       129.4813 162.3629 4.964607 156.1557 4.855648 6.207199       6.944396 
1 1 1 -4  12 3  o 159.7785 3.893300 2182.480       106.2278 2013.826       153.3822 2337.943       147.2622 153.3603 5.856797 165.2895 5.217282 -11.92915      7.843603 
1 1 1 -4  12 4  o 262.6874 3.565179 5898.168       159.9273 6099.784       228.3609 5704.104       224.0435 266.9998 5.008514 258.1868 5.081553 8.813080       7.134941 
1 1 1 -4  12 5  o 211.3015 6.612573 3826.905       238.6025 3839.819       260.5832 3759.896       593.5663 211.5807 7.212211 206.5962 16.97471 4.984543       18.44334 
1 1 1 -4  12 6  o 311.0672 5.244499 8282.966       278.5865 8128.609       468.1486 8367.596       346.6449 307.4169 8.917726 312.4400 6.497052 -5.023102      11.03347 
1 1 1 -4  12 7  o 106.7474 3.545782 974.1481       64.63555 870.4377       91.81132 1076.058       91.01088 100.6837 5.359220 112.1370 4.752724 -11.45328      7.163074 
1 1 1 -4  12 8  o 95.89572 3.375428 786.1268       55.27516 739.7180       78.77091 831.1480       77.58435 92.82304 4.987731 98.55222 4.610052 -5.729179      6.791910 
1 1 1 -4  12 9  o 83.76688 3.541879 599.9772       50.66499 596.9224       71.56650 603.0465       71.73604 83.34026 5.052531 83.76981 5.038164 -0.4295502     7.135206 
1 1 1 -4  12 10 o 259.8184 3.892303 5774.413       172.6945 5918.047       244.9709 5632.511       243.4896 262.7974 5.458731 256.3616 5.561929 6.435730       7.793125 
1 1 1 -4  12 11 o 297.8186 4.566813 7593.604       232.2561 7746.741       329.5948 7442.560       327.3362 300.4104 6.424858 294.4324 6.510382 5.977936       9.146795 
1 1 1 -4  12 12 o 115.3200 3.183105 1137.093       62.68411 1144.935       88.04627 1129.034       89.26370 115.6382 4.458694 114.8256 4.552334 0.8125763      6.372103 
1 1 1 -4  12 13 o 181.5701 5.469301 2827.695       169.5814 2589.059       241.3575 3060.363       238.3199 173.2598 8.157575 188.5376 7.402195 -15.27783      11.01538 
1 1 1 -4  12 14 o 111.3637 5.178812 1063.555       98.48632 1049.634       143.0873 1076.088       135.7626 110.0893 7.658906 111.5719 7.163488 -1.482597      10.48687 
1 1 1 -4  12 15 o 222.9409 5.548658 4266.635       211.2417 4102.567       300.2512 4427.442       297.2531 217.9629 8.066781 226.5469 7.683629 -8.583984      11.14052 
1 1 1 -4  12 16 o 50.56767 7.407523 225.0915       62.06918 252.7468       93.17110 203.0247       83.22646 52.94366 10.67397 47.37341 10.55770 5.570259       15.01328 
1 1 1 -4  12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  12 19 o 157.6350 5.270383 2134.504       141.8720 2042.260       205.7125 2218.175       195.9202 153.4295 7.878018 160.2884 7.157729 -6.858902      10.64407 
1 1 1 -4  12 20 o 131.1397 5.793039 1480.041       129.7306 1367.025       190.5875 1577.615       177.0888 125.0400 8.985644 134.7692 7.727083 -9.729210      11.85114 
1 1 1 -4  12 21 o 77.28096 7.406206 522.4183       96.54243 406.3622       145.7405 613.1656       128.8734 66.27824 13.33858 83.26849 9.217803 -16.99025      16.21375 
1 1 1 -4  12 22 o 68.51611 8.003124 415.1374       91.87401 299.7361       139.3967 503.7660       122.1615 56.14950 14.45272 74.97826 9.773455 -18.82877      17.44711 
1 1 1 -4  12 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  12 24 o 71.90622 8.053547 460.8249       97.19255 398.4113       161.4092 496.3280       121.7368 63.68486 15.07572 73.90186 9.894766 -10.21700      18.03285 
1 1 1 -4  12 25 o 99.88300 6.146483 873.9019       104.3294 953.9576       155.4820 808.3356       140.7097 102.9694 8.930848 94.80804 8.791152 8.161339       12.53174 
1 1 1 -4  12 26 o 34.76109 11.37042 110.9861       77.74512 -23.36942      120.7160 206.2113       101.6280 27.85970 12.44100 45.88998 12.58926 -18.03027      17.69938 
1 1 1 -4  12 27 o 57.86406 10.44824 319.0039       99.44219 423.9451       153.9677 243.8997       130.2533 64.18169 14.40202 48.48499 14.56172 15.69670       20.48077 
1 1 1 -4  12 28 o 30.01157 11.17290 74.93834       76.60134 160.2668       119.8846 16.06546       99.58045 39.99708 14.10468 27.21800 11.74692 12.77908       18.35571 
1 1 1 -4  12 29 o 60.12174 9.519122 345.2278       94.47552 422.1129       133.4102 267.8836       133.8078 64.20594 12.61775 49.33028 14.74633 14.87566       19.40778 
1 1 1 -4  12 30 f 23.15200 10.13307 3.114262       76.29410 145.9324       119.4684 -95.24392      99.14404 37.63358 13.96452 20.96988 9.995836 16.66370       17.17337 
1 1 1 -4  13 1  o 244.5736 4.105101 5117.078       171.4491 4951.905       243.7999 5278.684       241.1531 240.3428 5.940192 248.1872 5.689992 -7.844391      8.225685 
1 1 1 -4  13 2  o 113.4785 3.808238 1101.322       73.79713 1082.365       108.3898 1117.703       100.7574 112.2430 5.673333 114.2404 5.164824 -1.997383      7.672165 
1 1 1 -4  13 3  o 168.7257 4.553679 2436.501       131.2035 2602.898       197.8370 2305.855       175.3001 174.1577 6.652164 163.9666 6.260725 10.19109       9.134986 
1 1 1 -4  13 4  o 247.8960 5.029284 5262.459       212.9009 5107.704       267.0373 5532.435       352.7055 244.0002 6.408845 253.5713 8.145358 -9.571060      10.36437 
1 1 1 -4  13 5  o 82.02171 3.904079 575.4654       54.68263 562.9199       90.99271 582.5575       68.41470 80.71230 6.661359 82.33941 4.887529 -1.627106      8.262060 
1 1 1 -4  13 6  o 350.9223 4.872748 10545.35       292.0027 10131.59       413.0902 10958.56       412.8184 343.4243 7.043879 357.2488 6.766846 -13.82446      9.767621 
1 1 1 -4  13 7  o 326.9699 4.678060 9153.809       261.2014 8881.591       369.2637 9426.413       369.5256 321.5934 6.723998 331.3644 6.530354 -9.771027      9.373242 
1 1 1 -4  13 8  o 323.6510 4.899710 8972.466       270.8004 8395.813       387.7784 9521.375       378.3353 312.4812 7.267043 332.9565 6.654072 -20.47528      9.853253 
1 1 1 -4  13 9  o 131.0814 3.293229 1469.337       73.71654 1586.637       104.7103 1354.073       103.7976 136.1222 4.504624 125.7235 4.834692 10.39867       6.608017 
1 1 1 -4  13 10 o 202.2202 3.733732 3498.897       128.9347 3486.880       184.0502 3510.478       180.6788 201.6513 5.344823 202.3511 5.228772 -0.6997986     7.477111 
1 1 1 -4  13 11 o 152.2435 3.413069 1982.662       88.73311 2117.069       129.7583 1864.601       121.6125 157.1738 4.834517 147.5054 4.828014 9.668427       6.832443 
1 1 1 -4  13 12 o 326.8080 5.251395 9161.472       293.0686 9156.848       414.8268 9166.079       414.0973 325.9641 7.452383 326.1352 7.435373 -0.1711121     10.52724 
1 1 1 -4  13 13 f 66.78584 5.812086 385.9729       65.62461 404.8996       97.62516 370.3704       88.63873 67.89641 8.613778 64.98512 8.167893 2.911293       11.87062 
1 1 1 -4  13 14 o 167.0126 5.278975 2394.071       150.5569 2344.401       215.7359 2441.229       210.2108 164.7960 7.666090 168.2466 7.316560 -3.450592      10.59722 
1 1 1 -4  13 15 o 26.03263 12.72054 -337.3141      186.9018 -244.0526      204.2702 -816.8293      463.1853 30.22279 14.39030 40.21793 19.72956 -9.995142      24.41999 
1 1 1 -4  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  13 17 o 162.6555 5.275735 2272.286       146.5391 2240.561       212.2287 2301.194       202.5828 160.9782 7.720317 163.2580 7.266516 -2.279831      10.60215 
1 1 1 -4  13 18 o 134.0596 5.696770 1545.792       130.4153 1409.379       188.8307 1670.203       180.3327 127.0926 8.754010 138.7441 7.640739 -11.65146      11.61954 
1 1 1 -4  13 19 o 117.6164 5.984497 1195.273       119.8012 1120.601       177.4292 1257.841       162.4138 112.9343 9.282351 120.1263 7.962554 -7.191963      12.22965 
1 1 1 -4  13 20 o 112.0217 6.048748 1086.960       115.2808 1092.875       170.9657 1082.028       156.1087 111.3491 9.070070 111.0775 8.289712 0.2716446      12.28762 
1 1 1 -4  13 21 o 77.27211 8.024787 527.7745       104.3465 636.0745       147.0074 417.8060       148.1355 83.96708 10.48069 66.61995 13.48400 17.34713       17.07815 
1 1 1 -4  13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  13 23 o 115.2644 6.148527 1160.090       120.5859 1092.433       169.8394 1228.866       171.2375 110.4070 9.088983 117.4211 8.599685 -7.014038      12.51256 
1 1 1 -4  13 24 o 100.2980 6.457765 884.3413       110.0175 1009.519       176.2393 804.4144       140.8270 105.2053 9.927231 94.46589 8.832397 10.73938       13.28763 
1 1 1 -4  13 25 o 75.31333 7.662942 509.0670       97.18006 567.7061       161.2366 475.6124       121.7864 76.50740 12.79293 71.42823 10.28071 5.079170       16.41195 
1 1 1 -4  13 26 o 52.56373 9.599292 260.7314       82.98921 392.3045       128.2020 165.8297       108.8799 63.00670 12.35687 40.88661 13.45991 22.12009       18.27187 
1 1 1 -4  13 27 o 45.64087 10.63404 204.4919       81.34341 170.7576       125.5388 228.9046       106.7948 40.95029 14.43426 47.10584 12.89809 -6.155552      19.35739 
1 1 1 -4  13 28 o 35.35833 11.88713 123.0677       84.82164 279.7171       148.8604 47.75401       103.2171 49.66277 15.68763 29.49074 12.30705 20.17203       19.93904 
1 1 1 -4  13 29 o 46.66362 10.70632 219.7362       83.50271 323.9929       129.4361 145.4134       109.2860 54.23594 13.90884 37.45310 13.43888 16.78283       19.34062 
1 1 1 -4  14 1  o 102.5704 10.68707 922.4424       184.4409 1028.428       246.2375 786.9720       278.3895 107.4992 13.72705 92.36572 18.29685 15.13350       22.87371 
1 1 1 -4  14 2  f 165.1283 4.292583 2334.371       121.0436 2219.680       153.9539 2520.046       195.8857 160.8702 5.604192 171.2436 6.698637 -10.37337      8.733768 
1 1 1 -4  14 3  o 257.0322 4.763584 5659.536       209.0852 5995.814       352.6080 5477.178       259.6601 263.8202 7.826765 252.6090 6.019419 11.21120       9.873786 
1 1 1 -4  14 4  o 64.54251 4.527484 358.4969       49.58464 289.2845       73.23540 417.0789       67.37691 57.46672 7.653089 69.49039 5.728921 -12.02367      9.559827 
1 1 1 -4  14 5  o 201.8570 3.759752 3486.433       129.6000 3370.158       185.0937 3598.263       181.5225 198.2282 5.467947 204.8725 5.188537 -6.644257      7.537862 
1 1 1 -4  14 6  o 37.69208 5.788776 124.7171       36.06832 86.30974       50.97454 163.2264       51.04213 31.26476 9.037368 42.98202 7.209368 -11.71726      11.56067 
1 1 1 -4  14 7  o 47.21831 5.097850 193.3527       40.45327 169.0185       60.58382 212.9316       54.34282 43.52221 8.456324 49.33624 6.616963 -5.814026      10.73749 
1 1 1 -4  14 8  f 103.0033 3.366225 907.5840       59.21014 831.5033       86.46272 974.7702       81.25157 98.33292 5.167177 106.6724 4.460441 -8.339493      6.826071 
1 1 1 -4  14 9  o 66.52600 3.838569 380.0827       43.42242 331.3810       67.92934 413.7328       56.46489 61.73520 6.543252 69.31051 4.800203 -7.575314      8.115177 
1 1 1 -4  14 10 o 44.15810 4.901336 169.2359       36.33603 112.9552       56.37843 209.2247       47.52278 35.45232 9.224237 49.02131 5.788643 -13.56899      10.89013 
1 1 1 -4  14 11 o 164.5460 3.541415 2317.163       99.50986 2291.452       142.4463 2341.671       139.0708 163.4262 5.104197 165.2342 4.928721 -1.807953      7.095430 
1 1 1 -4  14 12 o 56.19586 14.48220 290.8779       139.8475 386.5622       166.8262 64.69969       256.4893 64.60978 15.34797 46.29284 19.36662 18.31694       24.71086 
1 1 1 -4  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  14 15 o 224.0667 5.804066 4317.658       222.0811 4076.169       317.4840 4549.033       310.7639 216.7937 8.575771 229.2786 7.937159 -12.48485      11.68513 
1 1 1 -4  14 16 o 90.68555 5.969693 710.8286       91.92996 767.3419       149.3506 676.3561       116.6457 93.39994 9.496009 88.05838 7.839021 5.341560       12.31359 
1 1 1 -4  14 17 o 236.3730 6.140778 4816.869       247.8695 4615.009       350.5175 5018.782       350.5634 230.1424 8.918896 240.1962 8.546700 -10.05376      12.35285 
1 1 1 -4  14 18 o 22.69784 10.25203 -40.81450      84.60762 23.15644       152.2787 -69.38109      101.7600 34.86760 14.77249 23.75760 10.92538 11.11000       18.37363 
1 1 1 -4  14 19 o 88.84101 7.095301 690.4899       106.7451 910.4234       175.7399 561.9094       134.3731 100.8259 10.35398 79.05270 10.19123 21.77315       14.52811 
1 1 1 -4  14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  14 21 o 75.16566 7.403060 499.6168       93.79047 462.8105       142.0538 528.0612       124.8792 70.27655 12.28420 76.34274 9.805672 -6.066193      15.71791 
1 1 1 -4  14 22 o 42.00838 11.12151 166.9668       81.03548 197.0013       124.4305 144.8464       106.7855 45.23219 14.34855 39.73849 13.33778 5.493702       19.59023 
1 1 1 -4  14 23 o 103.6680 6.422107 945.4440       113.1308 830.9751       159.8243 1060.392       160.1585 95.20920 9.978481 108.5024 8.717466 -13.29323      13.25007 
1 1 1 -4  14 24 o 108.0176 5.998246 1026.401       110.2069 944.7681       163.5657 1094.273       149.1430 101.3643 9.562419 110.3248 7.970037 -8.960533      12.44835 
1 1 1 -4  14 25 o 47.45004 11.08531 220.7385       88.20193 217.2983       151.3688 222.5070       108.5308 45.47272 15.86166 46.68238 13.08710 -1.209656      20.56367 
1 1 1 -4  14 26 o 25.33733 10.55498 27.48018       75.72900 12.37904       119.3577 37.65517       97.97440 28.90538 12.66210 28.48956 11.94742 0.4158230      17.40890 
1 1 1 -4  14 27 o 34.74484 11.52936 119.0086       79.82845 153.4026       124.3928 94.92561       104.0899 38.81579 14.27772 33.17403 12.86266 5.641758       19.21721 
1 1 1 -4  14 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  15 1  o 85.73850 5.477755 633.4456       79.78224 751.6725       123.7507 549.3540       104.3676 93.00892 7.865228 79.42607 7.795317 13.58285       11.07379 
1 1 1 -4  15 2  o 170.8630 4.659070 2502.075       135.9406 2747.642       193.8764 2264.584       190.6620 178.7639 6.351013 162.1924 6.883853 16.57155       9.366046 
1 1 1 -4  15 3  o 50.33107 6.751398 221.8134       56.56444 153.7635       78.73071 294.4138       81.32055 41.27896 10.97836 57.76543 8.497801 -16.48648      13.88297 
1 1 1 -4  15 4  o 122.0853 3.884845 1276.004       80.99141 1204.072       116.4386 1343.426       112.7297 118.4063 5.758642 125.1292 5.275674 -6.722824      7.809910 
1 1 1 -4  15 5  o 134.0886 3.569864 1538.672       81.74203 1543.786       119.0045 1534.104       112.4732 134.1405 5.195191 133.7519 4.924328 0.3885803      7.158144 
1 1 1 -4  15 6  o 19.39840 7.731351 16.60696       38.50998 -12.28435      54.41313 45.60088       54.50967 19.51345 8.548601 25.66725 9.449903 -6.153799      12.74281 
1 1 1 -4  15 7  o 83.96327 12.11074 629.9525       168.6237 600.6967       205.0251 691.1124       296.4388 80.91202 15.40118 85.08701 20.61810 -4.174995      25.73524 
1 1 1 -4  15 8  f 106.1059 11.55935 996.4698       206.0586 1031.750       257.2727 933.3401       344.1467 106.9636 14.45524 98.89466 21.02571 8.068970       25.51538 
1 1 1 -4  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  15 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  15 12 o 65.10320 4.207574 364.7339       46.52714 354.9961       74.50919 370.9580       59.56877 63.79090 6.952473 65.49940 5.373051 -1.708500      8.786726 
1 1 1 -4  15 13 o 147.7698 3.428249 1869.257       86.50875 2121.278       125.9865 1644.427       118.9962 157.2388 4.692047 138.3914 5.035262 18.84743       6.882526 
1 1 1 -4  15 14 o 127.0269 5.373602 1387.103       116.5637 1426.262       167.5678 1350.390       162.2525 128.1333 7.693837 124.6763 7.657954 3.456970       10.85538 
1 1 1 -4  15 15 f 94.69608 6.068053 776.3201       97.60949 601.7906       135.7053 963.4030       140.5009 82.34679 9.845694 105.0648 7.888636 -22.71806      12.61619 
1 1 1 -4  15 16 o 55.84030 10.30971 282.9323       94.68800 202.7050       162.6987 324.0236       116.4387 47.98108 16.46103 59.35866 11.90143 -11.37758      20.31279 
1 1 1 -4  15 17 o 95.17014 6.503160 788.8771       105.0555 635.9661       157.5586 911.2746       140.9643 83.70529 11.31248 101.7567 8.181461 -18.05138      13.96097 
1 1 1 -4  15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  15 19 o 97.38497 6.751863 830.9446       111.5906 961.3904       181.8165 752.1100       141.3438 103.0144 10.48155 91.65052 9.153519 11.36391       13.91581 
1 1 1 -4  15 20 o 44.05654 11.51038 184.0474       87.55082 74.64481       151.7841 238.5959       107.1775 36.93229 15.11945 49.83035 12.59046 -12.89806      19.67530 
1 1 1 -4  15 21 o 88.77765 6.545830 694.2460       98.53625 697.5562       148.2218 691.6246       131.9038 87.17382 10.14674 87.46360 8.957748 -0.2897797     13.53505 
1 1 1 -4  15 22 o 57.65673 9.780838 309.5144       92.85872 321.0734       130.5845 297.6905       132.0723 56.73758 13.64497 54.36439 14.10524 2.373188       19.62506 
1 1 1 -4  15 23 o 84.00013 6.772589 628.9575       96.32307 624.6882       145.2527 632.3085       128.6891 81.23986 10.73294 82.75156 9.265776 -1.511703      14.17923 
1 1 1 -4  15 24 o 61.30268 9.135187 352.2197       92.71040 248.4126       157.9465 406.7851       114.5130 47.65340 16.22006 64.95161 10.69681 -17.29822      19.42967 
1 1 1 -4  15 25 o 28.45824 11.78946 43.38165       93.73199 30.26761       147.3210 52.30082       121.4950 32.14801 14.07534 31.44745 13.25213 0.7005672      19.33221 
1 1 1 -4  15 26 o 46.74594 10.77628 219.3618       84.26093 -23.87064      130.9508 391.2262       110.0754 27.68054 12.60192 62.99019 10.61040 -35.30965      16.47388 
1 1 1 -4  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  16 7  o 212.9558 4.073353 3885.223       148.1301 3759.241       214.1600 4000.781       205.1083 209.0636 5.998712 215.7846 5.566228 -6.720993      8.183363 
1 1 1 -4  16 8  o 171.6927 3.686504 2524.181       108.0858 2702.715       159.6192 2372.994       146.8862 177.3963 5.269125 166.2410 5.174173 11.15535       7.384832 
1 1 1 -4  16 9  o 46.52777 5.955756 189.2332       46.23463 93.71571       79.06361 238.8713       56.99580 33.79171 11.47600 52.25621 6.529610 -18.46450      13.20357 
1 1 1 -4  16 10 o 161.0412 3.711879 2221.197       102.0781 2395.390       153.1876 2082.073       136.9019 166.9550 5.373066 155.6946 5.149131 11.26044       7.442002 
1 1 1 -4  16 11 o 165.8141 3.643622 2355.071       103.1708 2370.320       149.4730 2341.194       142.5819 166.0606 5.271013 165.0808 5.057850 0.9798584      7.305164 
1 1 1 -4  16 12 o 99.15767 3.615608 842.4470       61.22229 904.5056       91.08879 791.3135       82.68307 102.4202 5.225459 95.80840 5.071778 6.611794       7.282057 
1 1 1 -4  16 13 o 108.3109 3.765641 1005.905       69.64867 843.0187       100.4961 1156.452       96.61474 98.65956 5.993352 115.9672 4.878725 -17.30763      7.728016 
1 1 1 -4  16 14 o 22.57978 10.18239 -37.93184      83.07462 247.9878       150.4696 -163.2992      99.63660 51.35549 15.70160 19.56235 9.497679 31.79313       18.35065 
1 1 1 -4  16 15 o 112.6104 6.419134 1103.638       122.9290 753.5908       195.7695 1331.506       157.9513 90.22209 13.08869 123.2958 7.538136 -33.07374      15.10421 
1 1 1 -4  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  16 17 o 37.31516 12.05571 125.8434       87.53486 -268.3208      155.3228 309.3007       105.9654 23.60026 11.54553 57.64367 11.16827 -34.04341      16.06329 
1 1 1 -4  16 18 o 130.4765 5.670368 1479.114       126.3413 1411.121       185.8323 1537.554       172.2831 125.7134 8.710097 131.8795 7.683319 -6.166183      11.61461 
1 1 1 -4  16 19 o 43.32948 10.91154 178.2893       80.68936 151.1190       125.6001 197.3835       105.2914 40.80370 14.43183 45.10504 12.97428 -4.301342      19.40643 
1 1 1 -4  16 20 o 127.7231 6.170558 1429.190       134.5847 1625.534       200.3237 1267.657       181.6995 134.2327 8.787713 118.2754 9.065163 15.95730       12.62541 
1 1 1 -4  16 21 o 128.3011 5.953602 1445.261       130.4404 1449.080       202.7153 1442.563       170.4045 125.5229 9.528277 126.6401 7.919450 -1.117226      12.38974 
1 1 1 -4  16 22 o 52.83234 10.36677 268.7028       90.18845 153.0489       155.6685 327.1374       110.6511 40.59481 15.73273 57.63906 11.64266 -17.04425      19.57219 
1 1 1 -4  16 23 o 33.34698 11.84155 102.7735       84.64061 -60.77731      148.2918 181.8002       103.0808 28.19172 13.04430 42.03927 13.01981 -13.84755      18.43011 
1 1 1 -4  16 24 o 45.06618 11.49375 206.2047       88.73132 41.30217       153.4237 289.0818       108.7667 32.88352 14.38150 53.03320 12.25598 -20.14968      18.89541 
1 1 1 -4  16 25 o 40.71329 12.15620 173.9905       90.96985 222.7340       129.2854 126.1925       128.0254 44.42647 14.66907 36.26421 14.20804 8.162266       20.42180 
1 1 1 -4  17 1  o 93.18368 4.152269 744.2750       66.07349 778.1636       106.5608 723.1078       84.21740 94.77433 6.625915 91.56907 5.409827 3.205261       8.553886 
1 1 1 -4  17 2  o 155.8547 3.839121 2080.900       102.1771 2102.747       151.3192 2062.591       138.5272 156.3660 5.666955 154.9473 5.235391 1.418716       7.715161 
1 1 1 -4  17 3  o 151.0554 3.807172 1954.666       98.20663 1963.702       148.2274 1947.597       131.1124 151.0878 5.745094 150.5860 5.098674 0.5017700      7.681314 
1 1 1 -4  17 4  o 157.1025 4.595522 2117.636       123.2878 2118.574       155.6117 2116.055       202.0581 156.9101 5.807501 156.3961 7.565691 0.5140686      9.537649 
1 1 1 -4  17 5  o 167.3526 3.948265 2400.194       112.8342 2402.985       167.7314 2397.888       152.4975 167.0742 5.878994 167.0148 5.346949 0.5943298E-01  7.946851 
1 1 1 -4  17 6  o 110.0875 3.979313 1038.853       74.80801 1203.181       118.1899 929.0172       96.62684 118.2052 5.855201 103.7832 5.471495 14.42200       8.013778 
1 1 1 -4  17 7  o 137.4769 5.029919 1624.403       118.0844 1601.115       168.6652 1646.792       165.3765 135.8076 7.299540 137.8119 7.050856 -2.004227      10.14879 
1 1 1 -4  17 8  o 92.34299 4.190377 731.6219       66.07832 712.5127       98.03619 747.5306       89.45053 90.62525 6.375444 92.98893 5.660066 -2.363678      8.525411 
1 1 1 -4  17 9  o 59.30033 4.927300 304.4688       49.44439 284.4605       86.07137 314.3238       60.40602 56.31761 9.272573 60.06852 5.967865 -3.750912      11.02706 
1 1 1 -4  17 10 o 24.12344 7.926859 48.75084       37.76936 33.22285       74.45926 54.13036       43.82615 26.72353 10.71630 25.55758 8.544810 1.165951       13.70594 
1 1 1 -4  17 11 o 30.94746 8.120365 86.75376       43.45233 54.27942       74.67530 103.3780       53.42901 28.77558 10.96157 33.71967 9.077599 -4.944086      14.23232 
1 1 1 -4  17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  17 14 o 9.972589 5.061554 -164.9379      44.81437 -154.3046      88.38493 -168.6175      51.99336 18.03543 8.798534 11.28475 5.695749 6.750675       10.48121 
1 1 1 -4  17 15 o 75.55298 7.253323 504.7939       92.43143 474.2207       141.6659 527.4566       121.9697 71.11393 12.09895 76.30620 9.570874 -5.192268      15.42681 
1 1 1 -4  17 16 o 230.0780 6.087976 4615.691       239.1938 4666.805       348.1541 4569.997       329.1846 228.6453 8.916767 226.7090 8.502934 1.936234       12.32106 
1 1 1 -4  17 17 o 86.83337 6.647580 665.2693       97.82294 426.7524       147.4416 852.8209       130.7437 66.07935 13.52188 97.75172 7.899911 -31.67237      15.66045 
1 1 1 -4  17 18 o 101.4728 6.442452 907.9556       111.0569 940.9309       178.4266 887.1014       141.8931 100.7285 10.52861 99.17357 8.459332 1.554955       13.50600 
1 1 1 -4  17 19 o 43.49501 10.90519 183.2517       80.84744 77.90720       125.5217 257.9383       105.6900 34.25101 13.85055 51.06839 12.27195 -16.81737      18.50509 
1 1 1 -4  17 20 o 84.36024 6.807217 637.0156       97.22890 470.6852       146.9500 766.5287       129.6703 68.37708 13.06140 91.52930 8.389544 -23.15221      15.52368 
1 1 1 -4  17 21 o 34.99533 11.43611 118.5387       78.65308 -6.209750      122.3328 206.4454       102.6919 28.19837 12.56308 44.78420 12.79200 -16.58583      17.92948 
1 1 1 -4  17 22 o 31.95227 11.42399 93.56541       78.90496 -13.72969      123.2547 168.0733       102.7105 27.70623 12.45692 40.34074 13.06168 -12.63450      18.04944 
1 1 1 -4  17 23 o 84.47591 7.392280 654.7350       105.5649 824.2507       149.8304 487.6375       148.7579 92.73413 9.600515 67.84077 13.31608 24.89336       16.41609 
1 1 1 -4  18 1  o 82.80363 4.337361 590.7819       61.11723 541.9868       99.58397 620.2667       77.41068 78.57804 7.512977 84.64643 5.383353 -6.068390      9.242581 
1 1 1 -4  18 2  o 149.0547 3.825851 1906.502       97.38134 1847.088       144.4716 1955.974       131.8308 146.2449 5.784953 150.6781 5.123478 -4.433197      7.727594 
1 1 1 -4  18 3  o 121.0253 3.922285 1257.287       81.06198 1186.432       123.1313 1311.487       107.6917 116.9478 6.187603 123.3781 5.111428 -6.430229      8.025779 
1 1 1 -4  18 4  o 82.54327 4.446224 587.4896       62.44109 605.1407       106.9356 578.3579       76.91529 83.00566 7.629598 81.67540 5.547559 1.330261       9.433248 
1 1 1 -4  18 5  o 34.71896 9.696414 109.6194       59.69632 170.3600       159.6107 99.74081       64.36790 44.99412 16.23000 33.44503 10.27697 11.54909       19.21012 
1 1 1 -4  18 6  o 147.0833 3.795844 1857.249       95.33968 1797.722       141.6927 1906.495       128.8778 144.1983 5.754207 148.7020 5.075275 -4.503662      7.672635 
1 1 1 -4  18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  18 10 o ?        ?        -260.6885      41.83255 -148.3846      74.07620 -313.2737      50.68888 15.89824 7.817439 ?        ?        0.000000       7.817439 
1 1 1 -4  18 11 o 43.97698 7.271319 173.5161       52.69770 93.71671       83.71182 225.8976       67.82291 33.51117 11.78959 50.02265 8.225769 -16.51148      14.37560 
1 1 1 -4  18 12 o 31.13956 8.504775 88.79055       46.50179 93.65032       70.61395 85.06918       61.79231 32.64347 10.84411 31.06925 10.13569 1.574224       14.84341 
1 1 1 -4  18 13 f 113.1410 4.053298 1103.294       78.31236 1077.320       119.8342 1122.656       103.4617 110.8789 6.355432 113.7435 5.326612 -2.864563      8.292424 
1 1 1 -4  18 14 f 79.60395 4.866822 550.9927       65.84016 601.2933       115.0520 526.4984       80.28608 81.78942 8.354796 77.40160 6.124203 4.387825       10.35898 
1 1 1 -4  18 15 o 31.57102 11.92771 75.79504       87.96111 51.92878       197.0755 81.73227       98.29514 38.30789 16.52932 32.92447 12.56807 5.383427       20.76475 
1 1 1 -4  18 16 o 44.57264 10.74713 190.8713       80.84860 87.43782       126.6927 261.9302       105.0099 35.18982 14.02375 51.72062 12.10397 -16.53080      18.52489 
1 1 1 -4  18 17 o 28.40784 11.26017 52.15821       81.27473 -104.7243      146.7776 121.5313       97.60406 26.80811 12.59225 36.22884 12.73130 -9.420731      17.90672 
1 1 1 -4  18 18 o 45.24259 10.68046 200.0831       81.19209 115.1236       127.0827 258.6804       105.5406 36.61074 14.20765 50.65139 12.32010 -14.04065      18.80538 
1 1 1 -4  18 19 o 62.56683 9.026540 367.3946       93.65247 239.8712       159.4105 434.6072       115.7304 46.60936 16.27645 67.18533 10.42505 -20.57598      19.32885 
1 1 1 -4  18 20 o 37.54705 11.91222 141.7174       85.76020 395.9973       152.3473 23.76132       103.7621 60.13845 14.90901 27.92512 12.02169 32.21334       19.15201 
1 1 1 -4  18 21 o 20.60380 9.435023 -33.37173      74.79906 7.203691       118.6171 -60.15785      96.37639 28.03745 12.43763 22.16901 10.34503 5.868437       16.17759 
1 1 1 -4  19 1  f 78.59675 4.439157 534.0476       59.33717 447.0627       97.48836 585.2361       74.78546 70.80274 8.215787 82.06097 5.366324 -11.25823      9.813083 
1 1 1 -4  19 2  f 40.44052 7.439964 147.5032       49.48619 162.7397       82.41891 138.9137       61.88228 41.68772 11.29626 38.77943 9.434661 2.908287       14.71796 
1 1 1 -4  19 3  f 31.27116 8.609378 89.21120       47.43011 68.43011       78.93037 100.9561       59.33836 30.45945 11.34112 33.28034 9.788430 -2.820887      14.98113 
1 1 1 -4  19 4  o 14.49084 6.752875 -36.62251      40.84528 14.63532       72.74001 -60.22746      49.36222 24.58668 10.30177 14.91589 7.094117 9.670793       12.50811 
1 1 1 -4  19 5  o 74.38169 4.774920 479.7005       60.33001 244.7963       95.20234 637.3366       77.98842 51.06913 11.22285 85.62010 5.361015 -34.55098      12.43756 
1 1 1 -4  19 6  o 155.1527 4.462439 2076.634       118.2316 1850.064       234.0621 2154.248       136.9937 143.5247 9.605427 157.7849 5.084326 -14.26015      10.86805 
1 1 1 -4  19 7  o 82.01742 5.301726 585.3865       73.85755 581.7321       93.55202 591.4329       120.3333 81.26932 6.803602 81.12053 8.829247 0.1487885      11.14651 
1 1 1 -4  19 8  o 51.70148 5.408186 234.3795       47.04150 230.8718       73.04135 236.8656       61.49277 50.26061 8.832539 51.47356 7.192265 -1.212952      11.39045 
1 1 1 -4  19 9  o 61.54649 5.728997 332.3581       59.52055 253.0923       81.16338 424.5856       87.54829 52.40793 9.415103 68.99623 7.553963 -16.58830      12.07090 
1 1 1 -4  19 10 o 109.0591 4.021625 1025.760       74.89715 920.1682       107.2531 1126.262       104.6365 102.4374 6.159893 113.8288 5.383058 -11.39145      8.180561 
1 1 1 -4  19 11 o 100.6267 5.306024 882.8346       90.85446 957.5964       135.9465 822.4916       122.1355 103.6315 7.737814 96.13052 7.499421 7.500961       10.77567 
1 1 1 -4  19 12 o 93.72312 4.393268 760.2188       70.31311 689.8141       105.5585 816.3723       94.27152 88.08700 7.077195 96.50485 5.746456 -8.417854      9.116384 
1 1 1 -4  19 13 o 23.24118 9.165852 31.62514       53.60125 -130.0013      96.17999 104.4387       64.55569 19.79222 9.541504 33.41661 10.29589 -13.62440      14.03730 
1 1 1 -4  19 14 f 24.37559 9.494927 38.48159       56.92177 77.40194       110.7587 24.51241       66.35519 33.01835 13.12676 24.13729 9.952388 8.881060       16.47307 
1 1 1 -4  19 15 o 71.14804 8.779436 468.4532       104.4049 500.5635       176.1249 451.0565       129.6379 68.45675 15.43473 67.94959 11.58799 0.5071564      19.30058 
1 1 1 -4  19 16 o 36.48449 12.85889 127.8759       99.62901 -71.26637      199.7056 193.8609       114.9559 32.13051 14.95932 43.17318 13.80167 -11.04267      20.35356 
1 1 1 -4  19 17 o 22.34941 10.35357 -54.57596      93.83916 -54.71252      160.9642 -54.50565      115.4964 29.48572 13.62445 25.01778 11.55324 4.467945       17.86345 
1 1 1 -4  19 18 o 67.70889 9.394025 436.7924       105.6909 335.6256       164.3626 508.1163       138.0071 53.50921 16.41890 71.13603 11.77258 -17.62682      20.20331 
1 1 1 -4  19 19 o 42.99678 11.98102 193.2608       91.24926 69.98266       130.4229 311.4670       127.7117 32.55783 13.72578 53.23468 13.89885 -20.67685      19.53395 
1 1 1 -4  20 1  o 67.05141 4.785016 391.4418       54.42925 453.7196       85.01033 348.1745       70.85731 71.43967 7.060768 62.61777 6.732260 8.821896       9.755909 
1 1 1 -4  20 2  o 107.4084 3.906772 994.7697       71.65697 887.3851       116.3059 1060.471       90.97427 100.2279 6.836140 110.6176 4.816064 -10.38973      8.362253 
1 1 1 -4  20 3  o 53.10647 5.479260 247.9627       48.97633 282.9456       82.98950 229.2680       60.66735 55.48921 9.071703 50.50245 7.241893 4.986767       11.60779 
1 1 1 -4  20 4  o 43.26199 7.030219 168.8178       50.15388 209.1805       81.82871 144.5316       63.47385 47.01042 10.46260 39.23380 9.561358 7.776623       14.17341 
1 1 1 -4  20 5  o 85.50934 4.330855 633.8043       63.03333 693.0549       102.6847 597.9777       79.84763 88.45728 6.851269 82.59949 5.695673 5.857796       8.909577 
1 1 1 -4  20 6  o 40.08948 7.072371 145.7785       46.64721 162.9730       74.76776 134.8202       59.68869 41.33677 10.55507 37.89296 9.294720 3.443810       14.06418 
1 1 1 -4  20 7  o 92.93198 4.960662 752.6692       78.43930 583.9382       176.0155 794.4819       87.62083 76.67014 13.95805 95.30594 5.406016 -18.63580      14.96838 
1 1 1 -4  20 8  o 37.21307 9.996288 131.7258       64.87430 107.3114       75.49808 200.6277       126.8318 34.07747 11.20772 44.70267 14.51809 -10.62521      18.34088 
1 1 1 -4  20 9  o 52.79851 6.333068 248.8849       55.96081 161.0063       83.10720 321.7822       75.69253 40.63335 11.47359 59.59333 7.611844 -18.95998      13.76893 
1 1 1 -4  20 10 o 53.57819 7.065578 259.3999       63.06847 152.4013       93.77245 347.7787       85.22372 39.39793 12.45167 61.55825 8.320427 -22.16032      14.97576 
1 1 1 -4  20 11 o 34.93475 8.381386 114.9722       49.36027 12.26492       75.15050 192.9004       65.46035 24.16017 10.31140 45.31669 8.776054 -21.15652      13.54046 
1 1 1 -4  20 12 o 50.23876 6.770483 228.5140       56.60533 264.7440       92.00770 206.4495       71.80205 52.14072 10.69232 46.56449 9.354558 5.576237       14.20681 
1 1 1 -4  20 13 o 49.56261 9.256550 233.5222       75.46282 272.0021       132.9644 215.2384       91.65398 50.23381 14.61779 46.30152 11.61245 3.932297       18.66892 
1 1 1 -4  20 14 o 34.54023 10.63270 116.2855       68.86560 352.9549       204.4892 86.01041       73.13778 53.69445 18.45250 30.89822 11.00373 22.79624       21.48434 
1 1 1 -4  20 15 o 31.01180 10.44562 90.81435       65.49812 185.0323       203.4142 79.91589       69.18266 42.46101 17.45679 29.82924 10.69365 12.63177       20.47177 
1 1 1 -4  20 16 o 58.27331 10.69294 337.6082       102.4854 507.7702       176.3107 250.7733       125.9489 66.58813 15.75177 47.39167 14.33844 19.19645       21.30045 
1 1 1 -4  21 1  o 20.42232 8.350192 17.63772       46.22455 12.34897       80.84734 20.20627       56.34206 24.90473 10.66378 22.25606 9.173044 2.648676       14.06631 
1 1 1 -4  21 2  o 23.05015 8.707348 38.19252       46.87192 -31.05760      80.79687 73.31961       57.54470 21.96372 9.960395 28.70717 9.790299 -6.743450      13.96637 
1 1 1 -4  21 3  o 89.52602 4.259269 695.8185       65.11578 815.6915       102.1922 613.8815       84.48836 95.82632 6.279707 83.23156 5.984330 12.59476       8.674499 
1 1 1 -4  21 4  o 55.49566 5.672999 273.4106       53.00593 202.9293       87.41609 314.3934       66.65840 45.28427 11.33169 59.11225 6.723124 -13.82798      13.17602 
1 1 1 -4  21 5  o 21.02777 8.275791 26.24643       43.61232 92.27539       69.94567 -15.75160      55.78379 31.69200 10.79385 18.93494 8.456267 12.75706       13.71188 
1 1 1 -4  21 6  o 38.65893 8.093914 140.0405       51.71955 36.66873       81.48117 209.7912       66.93149 26.83877 11.04296 47.30377 8.602672 -20.46500      13.99832 
1 1 1 -4  21 7  o 36.76181 7.654485 126.0027       46.49070 226.5913       70.43951 48.36556       61.88381 49.11614 8.717561 25.87074 9.949190 23.24540       13.22809 
1 1 1 -4  21 8  o 31.00639 10.88633 86.97671       71.35751 -27.96766      163.7480 113.9216       79.28127 30.89686 14.07615 34.45340 11.49252 -3.556532      18.17184 
1 1 1 -4  21 9  o 39.57814 10.79272 155.1409       74.95521 185.4393       91.49227 93.29828       130.7129 42.72034 12.02995 34.85947 14.12093 7.860870       18.55049 
1 1 1 -4  21 10 o 30.66059 9.727695 89.09566       57.18966 -0.3450114     96.00526 138.2905       71.20119 25.58495 11.27732 37.37521 10.64322 -11.79026      15.50665 
1 1 1 -4  21 11 o 21.11233 8.815100 15.88039       52.99249 52.21273       81.63264 -10.58150      69.66706 27.89803 11.20885 21.40478 9.511840 6.493244       14.70079 
1 1 1 -4  21 12 o 25.95458 9.412667 57.35786       53.78951 -30.95088      84.89361 116.5900       69.52676 22.18013 10.11666 34.26761 10.70598 -12.08748      14.72973 
1 1 1 -4  21 13 o 35.37713 11.08941 126.3331       74.52657 187.7413       98.67960 44.80388       113.7028 41.98069 12.68949 29.76894 12.69377 12.21175       17.94868 
1 1 1 -4  22 1  o 35.78412 8.730153 123.2939       52.87384 37.01999       94.06147 163.1476       63.93021 27.78401 11.68179 40.98047 9.342917 -13.19646      14.95842 
1 1 1 -4  22 2  o 91.98323 4.290888 737.9907       67.39967 821.2516       105.8528 681.2171       87.40868 95.52988 6.527841 87.38935 5.891642 8.140526       8.793415 
1 1 1 -4  22 3  o 58.56615 5.750749 306.8256       56.77212 223.1962       96.10149 351.6567       70.36237 46.46753 12.02022 62.23222 6.728081 -15.76469      13.77507 
1 1 1 -4  22 4  o 35.50079 8.603208 121.2845       51.60958 119.7160       76.44609 122.5981       69.95857 34.71943 11.27105 35.11060 10.70046 -0.3911743     15.54144 
1 1 1 -4  22 5  o 28.31334 9.397121 74.69770       53.03084 131.4556       85.34602 39.00220       67.68256 36.07820 11.91873 25.21203 10.17926 10.86617       15.67397 
1 1 1 -4  22 6  o 44.73478 7.267466 185.7112       53.61208 277.6839       80.81931 113.4343       71.64491 53.79592 9.123599 33.84294 10.90390 19.95298       14.21742 
1 1 1 -4  22 7  o 68.36784 5.875854 419.0901       67.93352 414.1713       103.5725 422.8040       89.99664 65.54759 9.532386 67.36309 7.978560 -1.815498      12.43076 
1 1 1 -4  22 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  0  1  o 152.8499 14.56295 2055.625       372.1895 2055.625       372.1895 2055.625       372.1895 152.8499 14.56295 152.8499 14.56295 0.000000       0.000000 
1 1 1 -3  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  0  4  o 249.1210 7.316042 5317.599       310.6276 5317.599       310.6276 5317.599       310.6276 249.1210 7.316042 249.1210 7.316042 0.000000       0.000000 
1 1 1 -3  0  5  o 567.8508 10.47006 27612.83       1014.501 27612.83       1014.501 27612.83       1014.501 567.8508 10.47006 567.8508 10.47006 0.000000       0.000000 
1 1 1 -3  0  6  o 100.8418 4.184825 873.0190       71.78207 873.0190       71.78207 873.0190       71.78207 100.8418 4.184825 100.8418 4.184825 0.000000       0.000000 
1 1 1 -3  0  7  o 101.4437 4.615038 884.4990       79.57026 884.4990       79.57026 884.4990       79.57026 101.4437 4.615038 101.4437 4.615038 0.000000       0.000000 
1 1 1 -3  0  8  o 231.9290 4.805874 4601.584       190.1553 4601.584       190.1553 4601.584       190.1553 231.9290 4.805874 231.9290 4.805874 0.000000       0.000000 
1 1 1 -3  0  9  o 36.71771 3.514321 118.2924       21.57163 118.2924       21.57163 118.2924       21.57163 36.71771 3.514321 36.71771 3.514321 0.000000       0.000000 
1 1 1 -3  0  10 o 12.04786 6.512158 17.53813       18.69629 17.53813       18.69629 17.53813       18.69629 12.04786 6.512158 12.04786 6.512158 0.000000       0.000000 
1 1 1 -3  0  11 o 419.1960 8.334034 15050.48       596.0557 15050.48       596.0557 15050.48       596.0557 419.1960 8.334034 419.1960 8.334034 0.000000       0.000000 
1 1 1 -3  0  12 o 97.72766 4.463032 820.8754       74.12792 820.8754       74.12792 820.8754       74.12792 97.72766 4.463032 97.72766 4.463032 0.000000       0.000000 
1 1 1 -3  0  13 f 41.78186 5.983556 158.0376       40.15366 158.0376       40.15366 158.0376       40.15366 41.78186 5.983556 41.78186 5.983556 0.000000       0.000000 
1 1 1 -3  0  14 o 119.6873 4.143332 1227.839       84.45362 1227.839       84.45362 1227.839       84.45362 119.6873 4.143332 119.6873 4.143332 0.000000       0.000000 
1 1 1 -3  0  15 o 608.5348 10.84367 31711.89       1126.037 31711.89       1126.037 31711.89       1126.037 608.5348 10.84367 608.5348 10.84367 0.000000       0.000000 
1 1 1 -3  0  16 o 218.2493 5.338464 4076.510       198.6935 4076.510       198.6935 4076.510       198.6935 218.2493 5.338464 218.2493 5.338464 0.000000       0.000000 
1 1 1 -3  0  17 o 190.4295 4.752408 3103.597       154.3257 3103.597       154.3257 3103.597       154.3257 190.4295 4.752408 190.4295 4.752408 0.000000       0.000000 
1 1 1 -3  0  18 o 240.3569 6.835234 4951.134       280.0379 4951.134       280.0379 4951.134       280.0379 240.3569 6.835234 240.3569 6.835234 0.000000       0.000000 
1 1 1 -3  0  19 o 342.9047 5.436717 10057.87       318.1749 10057.87       318.1749 10057.87       318.1749 342.9047 5.436717 342.9047 5.436717 0.000000       0.000000 
1 1 1 -3  0  20 o 252.3658 5.614111 5453.892       241.6729 5453.892       241.6729 5453.892       241.6729 252.3658 5.614111 252.3658 5.614111 0.000000       0.000000 
1 1 1 -3  0  21 o 159.1093 4.933476 2170.774       133.7532 2170.774       133.7532 2170.774       133.7532 159.1093 4.933476 159.1093 4.933476 0.000000       0.000000 
1 1 1 -3  0  22 o 42.02723 12.35552 186.2238       77.05032 186.2238       77.05032 186.2238       77.05032 42.02723 12.35552 42.02723 12.35552 0.000000       0.000000 
1 1 1 -3  0  23 o 139.8743 17.10102 1779.076       392.1431 1779.076       392.1431 1779.076       392.1431 139.8743 17.10102 139.8743 17.10102 0.000000       0.000000 
1 1 1 -3  0  24 o 445.3220 8.871681 17069.60       674.0511 17069.60       674.0511 17069.60       674.0511 445.3220 8.871681 445.3220 8.871681 0.000000       0.000000 
1 1 1 -3  0  25 o 32.05685 19.59514 84.72077       204.0049 84.72077       204.0049 84.72077       204.0049 32.05685 19.59514 32.05685 19.59514 0.000000       0.000000 
1 1 1 -3  0  26 o 199.9964 5.887146 3435.956       200.6673 3435.956       200.6673 3435.956       200.6673 199.9964 5.887146 199.9964 5.887146 0.000000       0.000000 
1 1 1 -3  0  27 o 241.2579 6.141837 5000.655       252.6650 5000.655       252.6650 5000.655       252.6650 241.2579 6.141837 241.2579 6.141837 0.000000       0.000000 
1 1 1 -3  0  28 o 65.93584 7.746040 389.3744       84.06532 389.3744       84.06532 389.3744       84.06532 65.93584 7.746040 65.93584 7.746040 0.000000       0.000000 
1 1 1 -3  0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  0  30 o 157.3645 5.618373 2138.345       150.5434 2138.345       150.5434 2138.345       150.5434 157.3645 5.618373 157.3645 5.618373 0.000000       0.000000 
1 1 1 -3  0  31 o 79.12151 6.908093 553.9687       91.70045 553.9687       91.70045 553.9687       91.70045 79.12151 6.908093 79.12151 6.908093 0.000000       0.000000 
1 1 1 -3  0  32 o 14.90328 9.971347 -20.85720      70.26913 -20.85720      70.26913 -20.85720      70.26913 14.90328 9.971347 14.90328 9.971347 0.000000       0.000000 
1 1 1 -3  0  33 o 26.14345 13.38844 93.05154       75.75384 93.05154       75.75384 93.05154       75.75384 26.14345 13.38844 26.14345 13.38844 0.000000       0.000000 
1 1 1 -3  0  34 f 36.97592 13.77079 166.9302       80.91192 166.9302       80.91192 166.9302       80.91192 36.97592 13.77079 36.97592 13.77079 0.000000       0.000000 
1 1 1 -3  0  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  1  1  o 260.2383 6.129695 5789.990       272.4031 5754.024       385.2053 5825.969       385.2670 259.2583 8.700769 260.8781 8.648131 -1.619873      12.26758 
1 1 1 -3  1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  1  3  o 144.9757 4.603491 1795.900       113.9684 1697.440       161.2435 1894.194       161.1080 140.8876 6.702046 148.8413 6.338576 -7.953705      9.224694 
1 1 1 -3  1  4  o 252.0078 5.351917 5427.914       230.3166 5091.771       325.5687 5764.669       325.8653 243.9423 7.815441 259.5930 7.350945 -15.65073      10.72928 
1 1 1 -3  1  5  o 154.0318 3.320707 2026.563       87.34599 1944.907       108.9317 2173.603       146.1769 150.8787 4.227896 159.4725 5.367735 -8.593796      6.832839 
1 1 1 -3  1  6  o 247.0445 4.212573 5214.491       177.7152 5235.474       251.0469 5193.414       251.6085 247.4595 5.940853 246.4614 5.978254 0.9980774      8.428123 
1 1 1 -3  1  7  o 425.8217 5.449442 15502.25       396.2614 15437.68       560.3875 15566.83       560.4090 424.6539 7.727718 426.4311 7.695809 -1.777191      10.90610 
1 1 1 -3  1  8  o 229.0860 3.389403 4483.810       132.5939 4410.977       187.3799 4556.856       187.6528 227.1428 4.830833 230.8726 4.759712 -3.729843      6.781726 
1 1 1 -3  1  9  o 172.0701 3.019672 2529.642       88.72934 2566.150       125.4816 2493.133       125.4829 173.2538 4.241265 170.7680 4.303045 2.485779       6.041898 
1 1 1 -3  1  10 o 83.91135 2.773073 601.5111       39.73598 614.6582       55.65084 587.8367       56.75579 84.80273 3.842909 82.92814 4.007802 1.874588       5.552516 
1 1 1 -3  1  11 f 124.1556 3.020346 1316.784       64.03613 1320.163       90.61524 1313.412       90.50636 124.2849 4.269539 123.9665 4.275361 0.3183517      6.042158 
1 1 1 -3  1  12 o 325.1087 4.572727 9031.813       253.8667 9064.769       355.0070 8997.324       363.1758 325.5781 6.385278 324.3510 6.556917 1.227142       9.152319 
1 1 1 -3  1  13 o 430.7836 6.416714 15865.35       472.0345 15853.75       667.5196 15876.95       667.5957 430.3482 9.083267 430.6636 9.077649 -0.3153992     12.84171 
1 1 1 -3  1  14 o 135.7350 3.196820 1573.605       74.09892 1505.571       104.6493 1642.012       104.9346 132.7450 4.616537 138.6332 4.432511 -5.888184      6.399966 
1 1 1 -3  1  15 o 127.2808 3.704444 1383.890       80.51703 1352.532       117.3181 1411.813       110.7059 125.7958 5.461311 128.5327 5.043773 -2.736885      7.434081 
1 1 1 -3  1  16 o 369.9803 5.505700 11701.21       347.8508 11083.36       491.4852 12321.34       492.3868 359.8492 7.998121 379.4595 7.598697 -19.61026      11.03223 
1 1 1 -3  1  17 o 422.3263 5.243009 15247.59       378.1208 15015.00       534.3754 15480.82       535.1124 418.8281 7.471517 425.2898 7.368145 -6.461731      10.49348 
1 1 1 -3  1  18 o 257.3183 4.530956 5660.108       199.0959 5694.518       281.3602 5625.599       281.7686 257.9495 6.387429 256.3792 6.435880 1.570282       9.067513 
1 1 1 -3  1  19 o 267.3380 3.949920 6109.232       180.3229 6337.884       256.3569 5885.305       253.6941 272.1480 5.516173 262.2354 5.665225 9.912659       7.907145 
1 1 1 -3  1  20 o 319.5952 4.416192 8737.075       241.0184 8642.204       339.3150 8833.685       342.4089 317.5635 6.257065 321.0644 6.245266 -3.500946      8.840487 
1 1 1 -3  1  21 o 106.1628 4.299124 964.3764       77.93890 968.5237       97.16280 956.8923       130.5235 106.1921 5.375551 105.2896 7.304584 0.9024429      9.069371 
1 1 1 -3  1  22 o 291.0169 7.118306 7280.504       353.7502 6072.907       918.7209 7490.709       383.3041 258.4292 20.99968 295.0460 7.607673 -36.61682      22.33524 
1 1 1 -3  1  23 o 225.0424 3.846550 4334.161       147.8215 4402.465       208.3386 4264.914       209.7713 226.5577 5.385039 222.9668 5.509394 3.590912       7.704030 
1 1 1 -3  1  24 o 103.5714 4.672507 919.4434       82.64027 856.8328       145.7042 949.1368       100.3409 99.15047 8.693254 104.9933 5.616831 -5.842873      10.34995 
1 1 1 -3  1  25 o 176.9413 13.55129 2782.327       406.3478 2614.602       579.6234 2944.431       569.8270 167.2285 20.74240 178.8106 18.95037 -11.58214      28.09561 
1 1 1 -3  1  26 o 88.96224 4.856666 680.9709       73.50220 723.2066       100.1332 631.6247       108.2345 91.42573 6.455169 85.20256 7.515956 6.223167       9.907513 
1 1 1 -3  1  27 o 173.6931 4.076949 2585.760       120.9260 2590.271       170.8036 2581.225       171.2277 173.5160 5.764420 173.2072 5.789035 0.3088531      8.169545 
1 1 1 -3  1  28 o 85.22602 5.124753 627.2497       74.23754 699.6211       104.2788 552.8761       105.7114 89.63905 6.864516 79.35992 7.905655 10.27914       10.47000 
1 1 1 -3  1  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  1  30 o 38.04659 9.006369 133.2950       57.60731 131.3366       84.61873 134.9868       78.64677 37.86283 11.80793 38.18879 11.27950 -0.3259583     16.32956 
1 1 1 -3  1  31 o 32.47037 9.823685 96.58106       59.12131 218.4875       82.48295 -32.22461      84.78488 48.26382 10.32036 22.86770 10.30181 25.39612       14.58208 
1 1 1 -3  1  32 o 53.50626 7.080420 257.3244       63.10513 239.3427       88.48167 275.9395       90.02663 50.08858 10.67121 54.14156 10.10908 -4.052971      14.69926 
1 1 1 -3  1  33 o 20.13805 8.841180 -6.762996      58.47781 31.69686       81.57635 -47.41755      83.87163 26.51235 10.99214 21.47634 9.891994 5.036015       14.78779 
1 1 1 -3  1  34 o 61.81444 7.053923 347.1066       73.12646 333.9485       101.2109 361.4775       105.7727 58.59925 10.49990 60.99098 10.53664 -2.391731      14.87510 
1 1 1 -3  1  35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  2  1  o 510.6243 11.00109 22355.66       959.2657 23183.14       3547.667 22290.39       996.3810 504.8514 41.51866 509.7908 11.44541 -4.939423      43.06735 
1 1 1 -3  2  2  o 328.3021 4.355735 9208.835       244.1951 8965.294       345.4684 9452.024       345.2198 323.8193 6.247462 332.5052 6.079885 -8.685883      8.717556 
1 1 1 -3  2  3  o 212.3216 4.200255 3851.469       152.2901 3730.749       189.1822 4073.717       256.6895 208.9296 5.302471 218.2488 6.887383 -9.319199      8.692079 
1 1 1 -3  2  4  o 169.0716 3.702865 2441.859       106.9081 2504.541       151.4220 2379.559       150.9608 171.1888 5.179784 166.8592 5.298001 4.329590       7.409385 
1 1 1 -3  2  5  o 275.6963 5.467402 6496.974       257.4032 6594.016       364.0130 6399.920       364.0332 277.5995 7.678853 273.4743 7.795115 4.125122       10.94206 
1 1 1 -3  2  6  o 304.9917 5.069263 7950.777       264.0188 7704.322       323.3805 8443.460       457.2236 300.1400 6.309400 313.9944 8.527168 -13.85446      10.60760 
1 1 1 -3  2  7  o 257.9431 4.360631 5686.329       192.0768 5647.763       271.5009 5724.973       271.7747 256.9433 6.187739 258.6965 6.152004 -1.753204      8.725553 
1 1 1 -3  2  8  o 383.6967 4.898005 12589.90       320.9292 12699.66       453.7639 12480.05       453.9611 385.0716 6.900595 381.7167 6.964270 3.354889       9.804043 
1 1 1 -3  2  9  o 349.3199 5.390230 10440.71       321.5382 10390.22       454.6878 10491.21       454.7595 348.1046 7.648947 349.7992 7.613091 -1.694672      10.79192 
1 1 1 -3  2  10 o 169.0322 3.146929 2441.088       90.83609 2211.812       128.0774 2673.136       128.8493 160.8382 4.663174 176.8374 4.266836 -15.99928      6.320687 
1 1 1 -3  2  11 f 284.8124 4.208175 6931.899       204.6702 7151.980       289.5131 6712.017       289.3817 289.1848 5.862607 280.1342 6.049270 9.050629       8.424003 
1 1 1 -3  2  12 o 365.0287 5.447587 11388.80       339.5729 11559.24       480.2123 11218.34       480.2449 367.5640 7.650651 362.0921 7.766793 5.471863       10.90209 
1 1 1 -3  2  13 o 217.5808 3.310359 4043.533       122.9979 4040.815       173.9868 4046.248       173.9037 217.4705 4.685048 217.6168 4.679662 -0.1463013     6.621851 
1 1 1 -3  2  14 o 117.8541 3.259183 1186.344       65.59270 1132.431       92.35364 1241.221       93.17601 115.1239 4.697716 120.5300 4.526966 -5.406097      6.523952 
1 1 1 -3  2  15 o 392.4771 5.166098 13164.54       346.2413 13444.24       489.7000 12884.93       489.6183 396.4471 7.233408 388.0977 7.387793 8.349457       10.33933 
1 1 1 -3  2  16 o 276.1364 4.087241 6514.846       192.7328 6425.411       268.2264 6610.311       277.1220 274.1476 5.729478 278.0574 5.836261 -3.909760      8.178561 
1 1 1 -3  2  17 o 256.4416 4.081240 5619.374       178.7238 5563.683       252.1914 5675.563       253.3197 255.0668 5.789943 257.6208 5.758190 -2.554016      8.165794 
1 1 1 -3  2  18 o 214.4960 3.177857 3930.744       116.4007 3857.090       163.1232 4007.155       166.1493 212.4122 4.497119 216.5050 4.493955 -4.092865      6.357650 
1 1 1 -3  2  19 o 38.72673 6.515572 131.9617       41.55902 61.22519       59.27887 200.3355       58.28050 28.35687 9.924177 47.78755 7.379477 -19.43068      12.36713 
1 1 1 -3  2  20 o 107.7111 3.829935 992.0088       70.44556 998.0141       88.49050 981.6177       116.4023 107.9925 4.798450 106.8179 6.411055 1.174644       8.007917 
1 1 1 -3  2  21 o 196.0366 4.441070 3289.009       148.6712 3030.604       183.9619 3775.561       252.4304 188.0320 5.729203 209.6638 7.050441 -21.63185      9.084739 
1 1 1 -3  2  22 o 282.0299 3.960359 6806.231       190.7356 6798.260       270.0659 6814.165       269.4169 281.5556 5.616991 281.8892 5.596860 -0.3335876     7.929403 
1 1 1 -3  2  23 o 225.8494 4.093713 4366.917       157.8841 4351.614       221.5679 4382.703       225.0360 225.1575 5.762599 225.9458 5.832380 -0.7882843     8.199038 
1 1 1 -3  2  24 o 45.16938 7.667899 180.7788       57.03070 157.7645       79.00409 205.8208       82.41093 41.77932 10.94319 47.74434 10.40207 -5.965019      15.09823 
1 1 1 -3  2  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  2  26 o 130.9131 7.755247 1486.477       172.6000 1486.477       172.6000 0.000000       0.000000 130.9131 7.755247 ?        ?        0.000000       7.755247 
1 1 1 -3  2  27 o 59.36181 6.421692 307.2408       64.05908 295.0606       92.38116 318.5216       88.90523 57.39460 9.776026 59.88994 8.969029 -2.495346      13.26703 
1 1 1 -3  2  28 f 145.0381 3.975844 1804.942       98.47216 1882.137       138.9648 1727.087       139.5585 147.7760 5.506793 141.4923 5.775924 6.283768       7.980355 
1 1 1 -3  2  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  2  30 o 82.89592 4.961808 595.9562       69.91566 649.5059       98.91225 542.4857       98.83914 85.98745 6.791451 78.29909 7.483269 7.688362       10.10560 
1 1 1 -3  2  31 o 25.28086 9.265071 48.16629       52.31274 82.64362       73.22149 12.21967       74.76544 31.32628 11.02560 24.51167 10.36611 6.814604       15.13342 
1 1 1 -3  2  32 o 70.41219 5.032106 433.5126       60.10748 398.7225       81.47972 475.0499       89.03096 66.66340 7.275617 72.83328 7.254834 -6.169884      10.27459 
1 1 1 -3  2  33 o 59.11544 6.723337 314.4861       66.66417 275.7162       87.25217 368.8588       103.3283 53.77724 9.864673 62.26241 10.06146 -8.485165      14.09059 
1 1 1 -3  2  34 o 80.91165 5.453589 579.3434       74.91258 489.2096       96.07110 719.1595       119.6541 72.97136 7.832219 88.46397 8.007411 -15.49261      11.20099 
1 1 1 -3  3  1  o 516.9473 7.057001 22857.78       622.9719 22982.87       890.9019 22738.10       871.4506 517.8844 10.07384 515.1500 9.906202 2.734436       14.12852 
1 1 1 -3  3  2  o 271.1060 4.444778 6279.968       205.7743 6072.371       290.9641 6487.692       291.0536 266.4866 6.393846 275.4619 6.187419 -8.975311      8.897494 
1 1 1 -3  3  3  o 471.8142 7.176911 19043.23       578.2432 18974.88       817.7659 19111.58       817.7527 470.5145 10.17780 472.2129 10.14103 -1.698395      14.36761 
1 1 1 -3  3  4  o 456.8294 6.112214 17845.03       476.8200 18245.38       674.3689 17444.77       674.2818 461.6010 8.555174 451.3303 8.748732 10.27075       12.23647 
1 1 1 -3  3  5  o 165.9387 3.756968 2352.522       106.4602 2380.043       132.3658 2302.105       179.1533 166.8795 4.644843 164.0555 6.394876 2.823944       7.903733 
1 1 1 -3  3  6  o 474.5019 8.731304 19298.81       707.4879 19183.90       980.6973 19423.51       1021.636 472.2297 12.16129 475.0411 12.59398 -2.811432      17.50729 
1 1 1 -3  3  7  o 83.52630 3.384844 596.1187       48.27961 584.9774       59.44621 617.7071       82.74993 82.61740 4.227737 84.77345 5.750185 -2.156052      7.137114 
1 1 1 -3  3  8  o 530.7938 8.255127 24173.63       748.2583 23700.43       916.2745 25120.95       1296.449 524.8923 10.22241 538.5902 14.09597 -13.69788      17.41247 
1 1 1 -3  3  9  o 352.9008 5.391371 10654.49       324.9030 10419.26       454.0865 10901.24       465.0751 348.6400 7.627100 356.6107 7.637069 -7.970673      10.79340 
1 1 1 -3  3  10 o 289.8404 4.487966 7180.486       222.1316 7234.839       314.0278 7126.055       314.2553 290.7822 6.324093 288.5827 6.376913 2.199554       8.981045 
1 1 1 -3  3  11 o 91.76983 3.317387 719.3813       51.98739 669.8865       72.97939 770.3740       74.07540 88.40188 4.852902 94.94830 4.568618 -6.546425      6.665053 
1 1 1 -3  3  12 o 72.60805 3.402778 450.3008       42.19105 486.1028       59.90958 415.0725       59.42765 75.28150 4.683424 69.51237 5.040646 5.769135       6.880594 
1 1 1 -3  3  13 o 257.0654 3.716846 5644.778       163.1624 5370.608       229.6396 5924.298       231.8696 250.6862 5.364317 263.3007 5.156915 -12.61446      7.441080 
1 1 1 -3  3  14 o 405.8128 4.778216 14071.95       331.1261 14347.20       468.0625 13796.17       468.5040 409.6127 6.691578 401.6571 6.830553 7.955536       9.562096 
1 1 1 -3  3  15 o 225.8086 3.031982 4355.106       116.9147 4805.839       124.2240 859.5674       345.9418 237.2051 3.066758 97.68826 21.33509 139.5169       21.55438 
1 1 1 -3  3  16 o 187.6238 3.143237 3006.948       100.7087 3022.714       139.9752 2990.027       145.0051 188.0795 4.358206 187.0535 4.539580 1.025986       6.292993 
1 1 1 -3  3  17 o 184.3714 3.579424 2904.315       112.6960 2898.852       158.4385 2909.910       160.3308 184.1386 5.038648 184.4871 5.089195 -0.3484497     7.161556 
1 1 1 -3  3  18 o 114.1913 4.520541 1114.851       88.15063 1009.886       108.5659 1317.947       151.0152 108.4741 5.882914 123.8272 7.172432 -15.35305      9.276446 
1 1 1 -3  3  19 o 344.6737 7.239222 10187.58       426.0906 7037.253       1128.625 10711.24       460.1425 279.6916 23.85842 353.3372 7.626076 -73.64557      25.04758 
1 1 1 -3  3  20 o 69.99583 3.823223 420.2122       45.52575 466.0034       61.46389 364.5555       67.76219 73.62064 4.917269 64.92140 6.187065 8.699234       7.903120 
1 1 1 -3  3  21 o 135.9119 3.383710 1579.445       78.53307 1553.079       110.7944 1606.069       111.3326 134.6745 4.817598 136.9574 4.760310 -2.282883      6.772725 
1 1 1 -3  3  22 o 439.9390 5.998393 16612.24       450.6396 16927.29       637.2576 16297.12       637.3436 442.9689 8.424417 434.5577 8.588638 8.411224       12.03061 
1 1 1 -3  3  23 o 166.7275 3.874388 2379.399       110.3094 2341.504       152.6644 2420.798       159.5664 165.1994 5.411619 167.9502 5.563641 -2.750763      7.761425 
1 1 1 -3  3  24 o 239.0043 4.107186 4892.511       167.6301 4918.764       236.7209 4866.105       237.4101 239.2779 5.793382 237.9813 5.841904 1.296570       8.227461 
1 1 1 -3  3  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  3  26 o 88.95273 4.934664 681.1781       74.66411 755.1412       98.37722 580.6934       114.6667 93.45943 6.199285 81.45293 8.362484 12.00651       10.40972 
1 1 1 -3  3  27 o 98.21554 7.267560 838.8920       121.0254 907.9788       182.8131 784.9901       161.4772 101.1504 10.74840 94.15620 10.20633 6.994148       14.82219 
1 1 1 -3  3  28 o 28.99934 10.52301 62.89659       67.24246 109.5205       79.17957 -57.71538      127.3515 35.41484 11.46844 27.72825 12.54608 7.686588       16.99792 
1 1 1 -3  3  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  3  30 o 110.0560 4.362577 1044.443       81.98959 1106.109       112.4782 974.5269       119.7663 112.6681 5.866370 105.4156 6.687784 7.252449       8.896109 
1 1 1 -3  3  31 o 67.72874 5.693473 402.3108       65.23854 398.4565       90.05669 406.5672       94.63602 66.52444 8.094259 67.05485 8.452446 -0.5304031     11.70303 
1 1 1 -3  3  32 f 133.5499 4.247535 1544.661       96.86848 1549.069       141.3329 1540.755       133.0293 132.6611 6.238753 132.5277 5.878122 0.1334229      8.571718 
1 1 1 -3  3  33 o 78.54272 5.355816 543.6259       71.40599 455.4124       99.75500 636.3221       102.2582 70.22358 8.491058 83.98540 7.199647 -13.76182      11.13252 
1 1 1 -3  3  34 f 20.52966 8.975145 -2.369224      59.70326 11.33856       81.39382 -18.33444      87.84056 24.59714 10.61798 23.43486 10.52811 1.162279       14.95268 
1 1 1 -3  4  1  o 440.6578 6.004020 16606.68       451.7993 16563.91       639.0029 16649.43       638.8785 439.7289 8.509732 440.8666 8.486118 -1.137756      12.01789 
1 1 1 -3  4  2  o 348.6093 5.065801 10388.61       301.5706 10413.05       426.5007 10364.19       426.4698 348.8157 7.160145 347.9945 7.176520 0.8211670      10.13756 
1 1 1 -3  4  3  o 174.4558 3.690455 2600.308       109.9429 2607.354       155.7037 2593.302       155.2628 174.6352 5.221137 174.1640 5.220438 0.4711914      7.383308 
1 1 1 -3  4  4  o 248.4841 4.164294 5276.677       176.7022 5175.787       249.8271 5377.676       249.9622 245.9820 5.947499 250.7420 5.837749 -4.759979      8.333790 
1 1 1 -3  4  5  o 196.4860 3.485384 3298.735       116.9457 3254.542       165.3647 3342.950       165.4076 195.0933 4.963619 197.7291 4.898723 -2.635788      6.973880 
1 1 1 -3  4  6  o 235.0557 3.915255 4722.427       157.1567 4616.913       195.1049 4917.375       265.1996 232.3452 4.917365 239.6418 6.480497 -7.296600      8.134944 
1 1 1 -3  4  7  o 321.9162 5.666853 8868.670       311.5206 8609.297       387.4091 9343.228       524.0248 316.9567 7.157607 329.7734 9.305384 -12.81668      11.73974 
1 1 1 -3  4  8  o 358.1412 5.686802 10975.14       347.7958 10684.07       422.8291 11584.05       611.5623 353.1639 7.011108 367.1808 9.753465 -14.01685      12.01190 
1 1 1 -3  4  9  o 137.6846 3.964791 1619.973       93.21970 1543.174       114.1547 1773.698       161.5055 134.3489 4.975739 143.9638 6.569497 -9.614868      8.241133 
1 1 1 -3  4  10 o 374.3230 5.887262 11980.54       376.3240 12119.04       467.5237 11725.68       634.2153 376.3410 7.274786 369.8235 10.04246 6.517426       12.40055 
1 1 1 -3  4  11 o 197.9707 3.523856 3347.738       119.1300 3236.629       167.8031 3460.645       169.1555 194.6158 5.049168 201.2423 4.922264 -6.626465      7.051437 
1 1 1 -3  4  12 o 575.2564 7.156315 28299.72       702.9960 28510.42       993.8223 28088.72       994.5510 576.9438 10.08726 572.6462 10.17042 4.297607       14.32446 
1 1 1 -3  4  13 o 189.9125 3.573125 3080.771       115.8787 2994.992       161.4020 3172.021       166.4701 187.2113 5.048647 192.6644 5.059794 -5.453079      7.147752 
1 1 1 -3  4  14 o 230.9713 3.654125 4557.125       144.1263 4702.973       202.2997 4406.793       205.3862 234.5883 5.049950 227.0712 5.296723 7.517090       7.318283 
1 1 1 -3  4  15 f 187.0498 3.134168 2988.498       100.1109 3026.856       141.5263 2950.083       141.6301 188.2112 4.403416 185.8070 4.463664 2.404144       6.270117 
1 1 1 -3  4  16 o 230.4824 4.348288 4539.665       171.1425 4579.538       242.3815 4500.021       241.6843 231.3932 6.134044 229.3732 6.170266 2.020020       8.700499 
1 1 1 -3  4  17 f 122.1586 3.212859 1274.912       67.02203 1351.784       82.93565 1130.215       113.7863 125.7707 3.861535 114.7920 5.823729 10.97871       6.987651 
1 1 1 -3  4  18 o 278.6046 7.213521 6652.545       343.1922 5742.785       898.2371 6808.052       371.3671 254.5851 20.84394 281.7652 7.718166 -27.18015      22.22701 
1 1 1 -3  4  19 o 58.25049 4.162193 291.6531       41.12955 327.2600       56.87057 252.6067       59.55414 61.58464 5.464469 53.88449 6.610777 7.700150       8.576876 
1 1 1 -3  4  20 o 107.1237 3.677874 981.3204       67.27972 1005.097       94.74711 957.1371       95.55383 108.3355 5.121453 105.5746 5.317186 2.760963       7.382530 
1 1 1 -3  4  21 o 151.7285 3.208304 1968.308       83.12747 1869.946       115.6997 2073.261       119.5130 147.7848 4.584590 155.6198 4.497266 -7.834976      6.422139 
1 1 1 -3  4  22 f 228.4591 3.770080 4466.143       147.0825 4253.006       206.9759 4683.576       209.0517 222.6791 5.443001 233.7183 5.237922 -11.03922      7.553945 
1 1 1 -3  4  23 o 197.3388 3.535423 3332.205       119.1395 3225.097       166.2450 3445.295       170.8258 193.9297 5.019985 200.4458 4.990620 -6.516144      7.078597 
1 1 1 -3  4  24 o 87.43005 13.38073 688.5975       193.4197 802.5486       304.4119 611.4457       250.4811 92.00900 19.94937 80.56560 18.58510 11.44340       27.26505 
1 1 1 -3  4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  4  26 o 87.26257 4.861234 655.5413       72.15203 552.5024       101.7675 759.6844       102.3114 79.59483 7.578769 93.68608 6.434095 -14.09126      9.941595 
1 1 1 -3  4  27 o 191.6278 4.046442 3149.278       132.4140 3162.729       186.7016 3135.664       187.8268 191.6190 5.705680 190.7798 5.765315 0.8391724      8.111328 
1 1 1 -3  4  28 o 164.8623 3.978906 2334.003       112.0178 2460.410       155.1893 2196.505       161.8549 168.8683 5.381601 159.3719 5.947197 9.496460       8.020648 
1 1 1 -3  4  29 o 14.09241 7.087092 -228.3884      76.58334 -228.3884      76.58334 0.000000       0.000000 14.09241 7.087092 ?        ?        0.000000       7.087092 
1 1 1 -3  4  30 o 40.36108 8.867186 150.2917       59.44562 203.4899       83.87188 96.59095       84.26711 46.50301 10.77301 33.71875 11.83064 12.78426       16.00068 
1 1 1 -3  4  31 o 63.45073 6.243022 355.7510       66.76881 401.8989       98.00063 315.7726       91.21486 66.40641 8.863298 58.49126 9.454699 7.915154       12.95953 
1 1 1 -3  4  32 f 42.39872 9.300817 170.1030       65.48873 247.3183       93.12596 94.55920       92.11246 50.45527 11.10909 33.29346 12.28018 17.16182       16.55943 
1 1 1 -3  4  33 o 121.3206 4.590406 1283.065       95.10156 1314.251       134.6892 1252.058       134.2994 121.3716 6.522426 118.3395 6.672955 3.032135       9.331150 
1 1 1 -3  4  34 o 46.11995 9.944682 208.6302       76.01737 227.7572       99.97314 182.4138       117.0433 46.74117 12.34254 41.32860 13.96325 5.412575       18.63627 
1 1 1 -3  5  1  o 310.5232 4.476034 8244.022       237.3501 8374.864       335.8324 8113.444       335.4952 312.7750 6.287655 307.8424 6.381988 4.932526       8.959039 
1 1 1 -3  5  2  o 532.7829 6.696673 24309.36       609.2722 24161.99       861.6820 24456.69       861.5999 530.3583 9.514275 533.6025 9.455528 -3.244202      13.41374 
1 1 1 -3  5  3  o 140.9364 3.248556 1697.190       78.18353 1696.555       110.9201 1697.818       110.2196 140.8585 4.611320 140.9123 4.580446 -0.5380249E-01 6.499598 
1 1 1 -3  5  4  o 123.3301 3.079991 1299.574       64.86648 1256.143       91.65046 1343.166       91.81988 121.2084 4.427921 125.3420 4.289812 -4.133568      6.165142 
1 1 1 -3  5  5  o 184.2950 3.783491 2902.951       119.0716 2753.661       170.5016 3045.078       166.3601 179.3877 5.565878 188.6701 5.163501 -9.282349      7.592150 
1 1 1 -3  5  6  o 284.3144 4.348629 6910.812       211.1316 6978.234       298.6107 6843.413       298.5597 285.5173 6.124505 282.7387 6.183637 2.778595       8.703271 
1 1 1 -3  5  7  o 264.8596 5.337718 5999.809       241.4200 5937.525       299.8765 6114.532       406.9882 263.3566 6.668010 266.9750 8.927078 -3.618347      11.14249 
1 1 1 -3  5  8  o 269.2220 4.903970 6195.759       225.4552 6197.356       278.0881 6192.695       385.1198 269.1757 6.049851 268.8569 8.388277 0.3187866      10.34233 
1 1 1 -3  5  9  f 289.3517 5.725411 7157.616       282.9011 7183.774       391.9490 7129.167       408.7444 289.7140 7.922426 288.5775 8.294447 1.136475       11.47008 
1 1 1 -3  5  10 o 384.7469 7.964294 12665.33       523.2682 11921.60       724.2727 13477.41       756.8262 372.8810 11.37444 396.4948 11.17781 -23.61380      15.94745 
1 1 1 -3  5  11 o 372.5300 6.007857 11862.56       382.1930 12015.59       471.2880 11568.58       653.1991 374.8205 7.363108 367.4756 10.40915 7.344910       12.75013 
1 1 1 -3  5  12 o 167.0600 3.516699 2383.911       100.3251 2358.287       123.9264 2432.641       170.8981 166.1417 4.368008 168.6966 5.932381 -2.554932      7.366997 
1 1 1 -3  5  13 f 372.0426 5.125807 11829.10       325.6543 12381.18       459.9006 11273.92       461.1916 380.4688 7.078528 363.0247 7.439492 17.44412       10.26896 
1 1 1 -3  5  14 o 123.1696 3.029361 1295.778       63.71718 1338.036       88.65469 1250.628       91.63879 125.1428 4.148528 120.9806 4.435697 4.162209       6.073359 
1 1 1 -3  5  15 o 349.4457 4.610343 10435.96       275.1153 10481.25       388.5724 10390.42       389.5731 350.0438 6.500514 348.5193 6.545763 1.524475       9.225166 
1 1 1 -3  5  16 o 153.2977 6.353802 2010.871       166.3303 3015.058       414.8221 1818.494       181.5650 186.6103 13.10042 145.5458 7.328658 41.06456       15.01100 
1 1 1 -3  5  17 o 121.1631 2.844371 1254.147       58.85163 1191.385       80.88187 1324.762       85.79260 118.0608 4.011839 124.4933 4.035544 -6.432465      5.690383 
1 1 1 -3  5  18 o 298.2743 4.419185 7608.777       225.0919 7614.728       318.0135 7602.803       318.6436 298.1476 6.246149 297.9114 6.263486 0.2362366      8.845656 
1 1 1 -3  5  19 o 113.0888 3.092695 1093.064       59.72537 1098.910       83.67094 1086.991       85.28092 113.3368 4.323164 112.7150 4.430658 0.6218185      6.190353 
1 1 1 -3  5  20 o 258.9190 4.102737 5735.885       181.4009 5882.914       256.6818 5589.181       256.3976 261.9571 5.738032 255.3076 5.880962 6.649521       8.216491 
1 1 1 -3  5  21 o 101.2489 3.301904 876.6581       57.08954 881.0102       80.35844 872.2231       81.12057 101.4228 4.639743 100.9112 4.707494 0.5116196      6.609668 
1 1 1 -3  5  22 o 289.2350 4.601713 7167.585       227.2858 7225.263       321.1251 7109.688       321.7371 289.9038 6.486619 287.5559 6.552047 2.347900       9.219845 
1 1 1 -3  5  23 o 32.20951 5.765645 91.77537       30.54829 45.42542       39.78229 158.3777       47.68807 23.87759 8.140272 42.36985 6.822629 -18.49225      10.62131 
1 1 1 -3  5  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  5  25 o 73.34486 4.464377 462.8909       55.64943 515.6622       77.00150 405.1918       80.51646 77.21867 5.883772 68.19402 7.014116 9.024651       9.155140 
1 1 1 -3  5  26 o 241.2533 4.217896 4990.161       173.7685 4806.407       246.0068 5173.137       245.4856 236.2389 6.098090 245.1652 5.863613 -8.926300      8.459826 
1 1 1 -3  5  27 o 140.0573 3.905930 1682.621       93.41830 1757.927       129.1156 1599.891       135.3303 142.8827 5.291724 136.1891 5.819030 6.693527       7.865332 
1 1 1 -3  5  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  5  29 o 71.23236 5.858896 443.1838       70.63627 500.6567       93.09183 365.1880       108.4465 75.28043 7.334646 63.06699 10.43445 12.21344       12.75440 
1 1 1 -3  5  30 o 30.94264 13.81732 -26.58730      148.8911 0.000000       0.000000 -26.58730      148.8911 ?        ?        30.94264 13.81732 0.000000       13.81732 
1 1 1 -3  5  31 o 26.07335 10.31991 40.39741       68.17675 70.56441       83.66211 -19.23754      117.6286 30.61580 11.61677 27.65889 12.32121 2.956917       16.93403 
1 1 1 -3  5  32 o 29.00099 10.16680 73.30144       62.22529 23.50910       83.97688 133.9264       92.66254 26.15906 11.02026 37.22676 12.42486 -11.06770      16.60793 
1 1 1 -3  5  33 o 51.36751 8.073235 244.9445       68.48101 183.5116       93.02472 317.6243       101.1823 42.46601 12.18929 57.00586 10.78913 -14.53985      16.27833 
1 1 1 -3  5  34 o 50.89952 8.781544 247.1260       73.57071 293.8500       96.28481 181.5758       114.0447 54.26291 10.77091 41.07821 13.78369 13.18470       17.49293 
1 1 1 -3  6  1  o 43.68312 2.899050 163.7345       21.50290 183.3974       31.14059 145.8150       29.72797 46.15034 3.990659 41.07711 4.301833 5.073223       5.867804 
1 1 1 -3  6  2  o 466.4077 5.976355 18616.37       475.9968 18520.95       673.2946 18711.71       673.0278 464.6730 8.485077 467.0718 8.438155 -2.398773      11.96658 
1 1 1 -3  6  3  o 309.2281 4.674652 8175.607       246.8484 7936.342       353.2263 8404.000       345.1079 304.4399 6.794375 313.3256 6.449961 -8.885712      9.368326 
1 1 1 -3  6  4  o 279.8969 4.007085 6695.441       191.5264 6806.705       270.8969 6584.240       270.8214 282.0836 5.623729 277.4270 5.716528 4.656586       8.019041 
1 1 1 -3  6  5  o 191.4454 3.504904 3131.441       114.5837 3113.942       162.3825 3148.796       161.7113 190.8463 4.982571 191.9138 4.934374 -1.067490      7.012422 
1 1 1 -3  6  6  o 132.2815 2.812575 1494.611       63.53385 1511.856       89.77783 1477.310       89.92320 133.0189 3.952337 131.4891 4.004794 1.529770       5.626663 
1 1 1 -3  6  7  o 532.5908 7.449748 24271.65       677.5434 25014.33       958.2450 23529.13       958.1371 540.1264 10.38913 523.7769 10.71222 16.34949       14.92266 
1 1 1 -3  6  8  o 370.3004 5.941966 11721.85       375.7389 12107.69       470.5278 11042.77       624.2219 376.2296 7.323698 359.0016 10.18218 17.22794       12.54246 
1 1 1 -3  6  9  o 326.0791 5.693441 9087.729       317.0295 8586.812       447.4226 9592.809       449.2781 316.7880 8.270796 334.8656 7.856748 -18.07767      11.40765 
1 1 1 -3  6  10 f 122.9746 4.369788 1291.997       91.76515 1338.250       128.6782 1244.132       130.9014 125.1230 6.022348 120.4658 6.386048 4.657173       8.777829 
1 1 1 -3  6  11 o 414.9848 9.065480 14743.55       642.4288 14183.22       909.0311 15302.65       908.0326 406.4309 13.09755 422.2543 12.59289 -15.82343      18.16939 
1 1 1 -3  6  12 o 226.5096 5.877253 4385.988       227.3333 4236.191       320.9448 4536.823       322.0536 222.4655 8.448232 230.2412 8.191118 -7.775742      11.76720 
1 1 1 -3  6  13 o 73.10625 4.322681 458.2537       53.72481 440.5821       63.44835 503.0224       100.9878 71.60609 5.224881 76.26265 7.867531 -4.656563      9.444439 
1 1 1 -3  6  14 o 566.6882 10.04452 27538.70       972.0199 27640.95       993.3474 25233.87       4716.115 567.6893 10.24681 509.5526 55.07538 58.13669       56.02048 
1 1 1 -3  6  15 o 262.9504 6.542797 5916.838       293.7915 4414.432       755.1886 6184.769       318.9140 224.2359 19.92962 268.7998 6.947726 -44.56387      21.10594 
1 1 1 -3  6  16 o 380.8340 5.178252 12404.93       336.7602 12650.44       476.2079 12159.34       476.2938 384.2641 7.257129 376.7055 7.404079 7.558655       10.36756 
1 1 1 -3  6  17 o 129.9857 3.061874 1443.735       67.96494 1400.444       94.71844 1489.682       97.57928 127.9741 4.334215 131.9887 4.329313 -4.014580      6.126040 
1 1 1 -3  6  18 o 130.0271 3.395578 1445.223       75.39619 1424.574       104.2309 1467.886       109.1948 129.0257 4.730626 130.9629 4.882607 -1.937256      6.798432 
1 1 1 -3  6  19 o 102.7682 3.378468 902.9719       59.28987 842.1451       82.89819 966.6701       84.83234 99.17315 4.894959 106.2658 4.674831 -7.092682      6.768653 
1 1 1 -3  6  20 o 197.4587 3.479376 3334.526       117.3220 3334.286       165.1612 3334.771       166.6861 197.2930 4.902236 197.3015 4.947289 -0.8422852E-02 6.964739 
1 1 1 -3  6  21 o 254.6339 4.126247 5550.720       179.4210 5501.988       253.2357 5599.841       254.2466 253.1755 5.857352 255.4235 5.828978 -2.247971      8.263507 
1 1 1 -3  6  22 o 193.3238 3.710550 3198.760       122.4970 3107.001       171.0210 3295.435       175.5414 190.3009 5.262676 195.9898 5.244983 -5.688919      7.430048 
1 1 1 -3  6  23 o 175.0020 12.04813 2698.719       357.8579 2741.581       497.9530 2652.938       514.6343 173.7844 16.99696 170.3489 17.96198 3.435547       24.72912 
1 1 1 -3  6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  6  25 f 183.6684 3.751545 2889.183       117.6648 3150.173       168.0851 2638.385       164.7708 191.5275 5.139209 175.2056 5.507192 16.32182       7.532638 
1 1 1 -3  6  26 f 169.3826 3.749352 2458.818       108.4494 2785.771       154.6476 2142.446       152.1246 180.0254 5.030458 157.7390 5.647530 22.28633       7.563075 
1 1 1 -3  6  27 o 91.83393 4.071267 724.2407       63.84614 822.8622       86.08498 603.6712       95.18315 97.57908 5.184776 83.16192 6.760984 14.41716       8.520141 
1 1 1 -3  6  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  6  29 o 30.28959 9.990657 80.04426       59.97560 -1.992552      76.46804 211.1796       96.67974 23.74862 10.27161 47.08948 11.99085 -23.34086      15.78881 
1 1 1 -3  6  30 o 78.14137 5.451166 533.6611       72.28416 638.3751       98.45805 411.2327       106.4608 84.95630 6.844680 66.90788 9.592166 18.04842       11.78386 
1 1 1 -3  6  31 o 80.40607 7.588563 581.6823       102.9636 613.2692       129.5087 527.4171       169.7482 81.44827 9.489290 72.14824 14.28317 9.300034       17.14805 
1 1 1 -3  6  32 o 62.32145 8.660073 360.7722       89.67304 542.4235       168.0788 288.4931       106.0230 72.35146 14.11072 53.77694 11.86356 18.57453       18.43520 
1 1 1 -3  6  33 o 69.41666 7.404703 440.5593       86.42083 520.6649       105.7458 279.4563       149.9627 74.82238 8.422629 49.61351 15.75346 25.20887       17.86372 
1 1 1 -3  7  1  o 288.0477 4.259498 7089.482       209.5197 6836.861       296.4976 7341.450       296.1139 282.7591 6.140485 293.0233 5.917723 -10.26428      8.527895 
1 1 1 -3  7  2  o 151.4140 3.289114 1958.353       85.04463 1952.482       120.7588 1964.130       119.7896 151.1536 4.678409 151.6053 4.627037 -0.4516296     6.580044 
1 1 1 -3  7  3  o 178.5951 3.496075 2724.680       106.6233 2555.063       150.7933 2894.272       150.7829 172.9007 5.107208 184.0311 4.797987 -11.13039      7.007443 
1 1 1 -3  7  4  o 484.3131 7.084912 20064.15       585.9527 19640.48       828.7753 20487.58       828.5493 478.7133 10.13816 488.9664 9.922873 -10.25302      14.18611 
1 1 1 -3  7  5  o 275.5627 4.833009 6488.704       227.4259 6142.254       321.7588 6834.596       321.4991 267.9865 7.030974 282.7112 6.659396 -14.72467      9.684119 
1 1 1 -3  7  6  o 151.6589 3.079767 1964.445       79.76047 2018.549       112.8715 1910.482       112.7253 153.7110 4.300090 149.5374 4.414379 4.173599       6.162590 
1 1 1 -3  7  7  o 105.8491 3.331694 956.9639       60.22188 788.7004       83.34512 1140.785       87.11298 95.93591 5.105791 115.5540 4.414645 -19.61814      6.749681 
1 1 1 -3  7  8  o 597.7075 7.809502 30561.21       797.1021 30503.33       1127.365 30619.06       1127.180 596.5736 11.06620 597.7089 11.04337 -1.135315      15.63384 
1 1 1 -3  7  9  o 129.0313 5.657652 1423.012       124.6618 1362.720       178.4265 1480.511       174.2445 125.9175 8.345265 131.3207 7.805177 -5.403214      11.42647 
1 1 1 -3  7  10 o 415.9430 9.453747 14816.65       671.4903 14045.38       948.7387 15590.83       950.5252 404.2953 13.74188 426.0880 13.06359 -21.79269      18.96039 
1 1 1 -3  7  11 o 93.17622 5.436407 744.5921       86.12498 611.7479       120.2250 884.6290       123.4368 84.11164 8.486215 101.4414 7.171920 -17.32977      11.11091 
1 1 1 -3  7  12 o 183.2789 4.146252 2870.055       129.7688 2886.985       184.2144 2853.378       182.8349 183.7563 5.870555 182.6841 5.860793 1.072235       8.295319 
1 1 1 -3  7  13 o 162.0541 8.532509 2255.716       235.2913 2048.511       246.8949 4305.954       776.6301 154.3062 9.414768 221.5420 20.77094 -67.23587      22.80504 
1 1 1 -3  7  14 o 131.6886 4.644722 1482.413       104.4503 1598.575       150.9422 1375.681       144.6863 136.6768 6.467165 126.6027 6.716435 10.07414       9.323880 
1 1 1 -3  7  15 o 530.4134 9.504738 24162.60       860.9076 23384.63       1217.990 24939.34       1217.026 520.1655 13.71198 537.3881 13.26202 -17.22266      19.07615 
1 1 1 -3  7  16 o 281.3639 4.536109 6770.415       217.9485 6617.231       268.3149 7067.518       373.6736 278.0380 5.651175 287.0458 7.623233 -9.007843      9.489439 
1 1 1 -3  7  17 o 174.6567 3.923467 2608.502       117.0192 2558.831       146.0408 2697.594       195.5886 172.9098 4.945983 177.3884 6.456787 -4.478561      8.133440 
1 1 1 -3  7  18 o 139.8769 3.396833 1672.800       81.13761 1632.126       113.4004 1715.463       116.1405 138.0734 4.809531 141.5549 4.804596 -3.481537      6.798215 
1 1 1 -3  7  19 o 173.9757 3.480931 2588.452       103.4155 2479.721       144.3932 2702.967       148.1838 170.1420 4.969734 177.6456 4.884774 -7.503540      6.968448 
1 1 1 -3  7  20 o 56.67994 3.975653 276.3023       38.23689 278.9800       51.12957 272.9044       57.59646 56.79151 5.334661 56.04936 6.116912 0.7421494      8.116355 
1 1 1 -3  7  21 o 131.7483 3.397592 1484.931       76.43956 1368.488       105.7681 1612.250       110.5973 126.3445 4.902260 137.1562 4.722011 -10.81166      6.806581 
1 1 1 -3  7  22 o 253.0038 4.196736 5483.358       181.3179 5266.164       255.9932 5702.014       256.8535 247.5054 6.056782 257.6057 5.838858 -10.10039      8.412899 
1 1 1 -3  7  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  7  24 o 99.55144 3.745477 848.7002       63.67319 823.9120       87.77992 876.2260       92.50037 97.80480 5.275240 100.8520 5.390547 -3.047150      7.542291 
1 1 1 -3  7  25 o 92.25674 3.815741 729.2649       60.11445 761.9786       82.31401 691.8756       87.99989 94.03139 5.145756 89.47537 5.790431 4.556023       7.746476 
1 1 1 -3  7  26 o 94.47419 4.043752 765.9377       65.23785 733.8898       86.80773 807.5267       98.88885 92.11069 5.544661 96.52650 6.029468 -4.415817      8.191321 
1 1 1 -3  7  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  7  28 o 67.52731 5.237437 396.7401       59.92241 444.3745       81.41045 340.4205       88.52165 71.05665 6.791974 61.50626 8.668492 9.550385       11.01243 
1 1 1 -3  7  29 o 51.72659 6.973759 238.8093       60.03022 327.8449       86.61170 156.4967       83.27752 60.10994 8.690031 40.63199 11.48959 19.47795       14.40581 
1 1 1 -3  7  30 o 51.99932 7.377989 243.9119       63.67719 344.8841       89.72717 141.4590       90.38269 61.36837 8.815122 38.56426 12.22842 22.80410       15.07450 
1 1 1 -3  7  31 o 140.9064 4.146440 1721.209       99.77184 1673.284       141.3193 1768.836       140.8791 137.7946 6.005750 141.8106 5.817492 -4.015991      8.361355 
1 1 1 -3  7  32 o 21.18480 9.524133 -21.00433      72.03439 14.91971       83.92484 -121.5251      140.3866 25.32508 10.85487 25.18958 11.97549 0.1355038      16.16294 
1 1 1 -3  7  33 o 20.76866 9.172089 -6.451770      63.80849 -4.633603      81.08643 -9.408732      103.4080 23.31714 10.31645 25.65426 11.48114 -2.337120      15.43522 
1 1 1 -3  8  1  o 230.4312 3.751362 4535.661       147.6156 4771.483       214.7066 4324.269       203.2817 236.2945 5.320957 224.9497 5.291891 11.34485       7.504445 
1 1 1 -3  8  2  o 318.3246 4.665954 8657.663       253.6370 8583.922       363.1132 8727.922       354.4379 316.8537 6.710908 319.5142 6.496032 -2.660461      9.339953 
1 1 1 -3  8  3  o 303.4359 4.809307 7867.054       249.2019 7637.768       352.6230 8095.825       352.2267 298.8692 6.909198 307.7138 6.703063 -8.844666      9.626426 
1 1 1 -3  8  4  o 650.4281 8.103402 36194.54       900.0541 35626.92       1272.989 36761.94       1272.749 644.6377 11.56397 654.8677 11.38118 -10.22998      16.22518 
1 1 1 -3  8  5  o 509.3384 7.221209 22186.41       628.0848 21918.61       888.3350 22454.10       888.1569 505.8352 10.28409 511.9973 10.15828 -6.162109      14.45521 
1 1 1 -3  8  6  o 233.8488 4.001101 4671.569       159.7779 4463.502       197.4205 5066.614       272.0282 228.5471 5.058417 243.4324 6.543856 -14.88522      8.271011 
1 1 1 -3  8  7  o 409.4273 5.459022 14326.79       381.6748 14252.44       539.8019 14401.12       539.7375 408.1622 7.744612 410.2898 7.703534 -2.127594      10.92353 
1 1 1 -3  8  8  o 150.0817 2.924847 1923.773       74.96056 1887.998       107.5441 1957.576       104.5402 148.6559 4.236453 151.3744 4.044165 -2.718506      5.856860 
1 1 1 -3  8  9  o 185.6100 3.179221 2942.604       100.7683 2990.314       140.7268 2892.398       144.3584 187.0775 4.405075 183.9836 4.594740 3.093979       6.365243 
1 1 1 -3  8  10 o 441.5141 9.335604 16699.82       703.8643 15992.27       995.3339 17407.61       995.4949 431.2723 13.51497 450.0797 12.95232 -18.80740      18.71943 
1 1 1 -3  8  11 o 188.1864 5.554184 3027.693       178.4886 3152.546       189.3052 2027.870       535.7032 192.0173 5.773249 151.2708 21.33010 40.74648       22.09759 
1 1 1 -3  8  12 o 229.6424 7.083844 4513.638       277.7941 3999.085       930.0644 4564.039       291.0812 211.4510 26.32752 230.8970 7.382339 -19.44594      27.34295 
1 1 1 -3  8  13 o 162.2233 3.778320 2248.827       104.6680 2141.939       154.9164 2338.602       141.9747 158.2363 5.733098 165.3772 5.027281 -7.140930      7.625088 
1 1 1 -3  8  14 o 336.5476 6.331527 9697.426       363.8789 9862.934       515.5436 9533.120       513.6664 338.9531 8.906844 333.2132 9.027285 5.739960       12.68163 
1 1 1 -3  8  15 o 62.68468 5.673349 339.1262       60.07183 257.4315       87.06696 413.3465       82.98849 53.87348 9.826096 69.06904 7.139125 -15.19556      12.14575 
1 1 1 -3  8  16 o 239.1428 5.322262 4896.746       217.3480 4918.000       310.3080 4876.275       304.5264 239.3137 7.593176 238.3159 7.482899 0.9977875      10.66068 
1 1 1 -3  8  17 o 175.3269 5.259478 2633.106       157.4683 2539.703       221.4993 2728.551       223.9077 171.8968 7.545755 178.2020 7.357910 -6.305267      10.53932 
1 1 1 -3  8  18 f 41.38423 8.248683 152.6597       56.24770 218.8446       77.27361 78.07270       82.03198 49.53211 9.481063 32.46863 11.64396 17.06348       15.01574 
1 1 1 -3  8  19 o 49.55088 7.294684 215.7330       59.87782 158.7269       88.02791 264.8226       81.68719 42.07621 11.78295 54.65392 9.070487 -12.57771      14.86982 
1 1 1 -3  8  20 o 205.4679 4.505617 3616.856       158.0884 3403.187       198.0889 3991.666       262.3581 199.0801 5.826803 215.3032 7.135791 -16.22307      9.212554 
1 1 1 -3  8  21 o 76.20557 3.712579 497.0994       48.31304 443.5316       64.38337 566.1389       73.09213 71.69640 5.296140 81.04761 5.310512 -9.351204      7.500042 
1 1 1 -3  8  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  8  23 o 15.50469 6.536927 2.054311       29.58514 -13.95993      34.61658 45.44670       56.98202 14.96243 6.673294 25.93303 9.640010 -10.97060      11.72445 
1 1 1 -3  8  24 o 188.2047 3.769168 3034.147       121.1373 3198.561       170.2004 2865.358       172.4498 192.9635 5.165154 182.5553 5.531797 10.40819       7.568329 
1 1 1 -3  8  25 o 143.4118 3.750744 1763.127       91.85532 1647.373       123.0708 1908.702       138.0161 138.3674 5.208578 148.8891 5.428314 -10.52173      7.523023 
1 1 1 -3  8  26 f 36.99145 8.411813 124.4858       51.93540 157.3901       63.77411 59.69613       89.48933 41.50613 9.235758 30.84190 11.93540 10.66422       15.09149 
1 1 1 -3  8  27 o ?        ?        -419.0660      39.06445 -407.4455      47.88504 -442.1878      67.54596 ?        ?        ?        ?        0.000000       ?        
1 1 1 -3  8  28 o 71.03487 4.815763 438.2654       58.07179 460.4428       79.30730 412.6290       85.26813 72.32999 6.489904 68.11572 7.452127 4.214272       9.881955 
1 1 1 -3  8  29 o 17.60111 7.976095 -25.57197      51.69910 1.402851       63.65091 -77.86857      88.62617 21.90480 9.422806 20.95007 9.822751 0.9547291      13.61160 
1 1 1 -3  8  30 o 115.5313 4.260849 1156.465       84.06163 1215.819       121.0530 1101.187       116.8221 117.4495 6.056239 111.7084 6.147694 5.741188       8.629726 
1 1 1 -3  8  31 o 48.63939 7.894779 218.6677       63.32548 235.4400       89.94122 202.1799       89.17519 48.89836 11.03339 44.99637 11.54770 3.901993       15.97138 
1 1 1 -3  8  32 o 83.42265 5.158966 614.0720       73.13276 683.1177       92.17170 496.7353       120.1561 87.37751 6.217835 71.83769 10.07151 15.53982       11.83625 
1 1 1 -3  9  1  o 213.2455 3.554619 3884.298       129.4419 3891.691       183.7618 3877.017       182.3631 213.4033 5.042572 213.0016 5.013629 0.4017029      7.110837 
1 1 1 -3  9  2  o 366.3123 4.964180 11466.45       310.5281 11499.55       439.5771 11433.48       438.7302 366.6912 7.019927 365.6358 7.026627 1.055420       9.932415 
1 1 1 -3  9  3  o 232.7111 4.143966 4626.531       164.6779 4691.209       227.6976 4555.597       238.4538 234.2726 5.691610 230.8454 6.048966 3.427139       8.305686 
1 1 1 -3  9  4  o 75.43436 3.557245 486.0677       45.82315 504.9205       65.36530 467.8491       64.25636 76.70334 5.018009 73.81230 5.129694 2.891037       7.175944 
1 1 1 -3  9  5  o 72.30273 2.998560 446.4950       37.02281 468.2606       53.06539 425.8523       51.67847 73.91230 4.221804 70.46773 4.315338 3.444572       6.037033 
1 1 1 -3  9  6  o 576.7158 7.079706 28449.54       697.2347 27623.17       986.2480 29275.21       985.8297 567.7363 10.17273 584.5289 9.876292 -16.79260      14.17835 
1 1 1 -3  9  7  o 458.2619 6.173129 17956.41       483.0822 17512.90       683.3829 18399.40       682.9799 452.2269 8.849237 463.5648 8.627709 -11.33798      12.35906 
1 1 1 -3  9  8  o 482.2206 6.362047 19886.61       523.8954 19413.15       741.0061 20359.79       740.7941 476.0439 9.115339 487.5502 8.897669 -11.50635      12.73805 
1 1 1 -3  9  9  o 654.5070 7.306783 36660.17       816.6622 36983.50       1155.227 36337.16       1154.642 656.6459 10.30230 650.8577 10.38866 5.788147       14.63085 
1 1 1 -3  9  10 o 117.2034 6.251277 1178.409       124.6636 1168.909       131.4220 1263.715       393.8157 116.6950 6.622268 118.9645 20.10160 -2.269440      21.16433 
1 1 1 -3  9  11 o 508.5844 11.12844 22237.40       966.4938 18761.47       3427.970 22537.57       1007.362 441.7630 46.12080 511.8784 11.52435 -70.11548      47.53881 
1 1 1 -3  9  12 o 132.5226 4.614534 1501.583       104.4287 1475.145       146.2054 1529.118       149.2094 131.2609 6.522680 133.6397 6.538209 -2.378845      9.235450 
1 1 1 -3  9  13 f 194.5627 4.770214 3237.682       158.4891 3387.032       226.1795 3093.607       222.1496 198.8381 6.661188 190.0123 6.846393 8.825790       9.552200 
1 1 1 -3  9  14 o 243.5057 5.764043 5077.864       239.6836 4923.860       339.8632 5230.248       338.0715 239.4013 8.313342 246.7896 8.021945 -7.388306      11.55263 
1 1 1 -3  9  15 o 153.6273 5.192063 2020.880       136.2104 1867.735       196.9501 2161.289       188.5833 147.2164 7.862710 158.6957 6.958828 -11.47926      10.49988 
1 1 1 -3  9  16 o 94.41257 5.082950 765.6420       81.64790 741.5695       117.0053 788.4895       113.9889 92.59040 7.463489 95.55903 7.034829 -2.968628      10.25634 
1 1 1 -3  9  17 o 109.5075 4.914090 1027.228       91.89439 1032.879       127.9746 1021.213       132.0372 109.4262 6.883663 108.7604 7.149075 0.6657486      9.924418 
1 1 1 -3  9  18 o 134.7335 4.848076 1555.521       111.5442 1524.349       159.4294 1585.412       156.1174 132.9303 7.048500 135.7971 6.732231 -2.866776      9.747013 
1 1 1 -3  9  19 o 168.5349 5.331339 2436.800       153.4363 2247.282       217.9352 2623.071       216.0604 161.3892 7.907717 174.5061 7.250411 -13.11690      10.72849 
1 1 1 -3  9  20 o 119.1970 4.912787 1218.497       99.99889 1283.424       143.7274 1157.578       139.2199 121.8728 6.934740 115.6938 7.080836 6.179024       9.911047 
1 1 1 -3  9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  9  22 o 107.8224 5.473346 1001.204       100.4471 966.5312       155.6798 1025.933       131.4752 105.2350 8.742180 108.8322 7.113448 -3.597214      11.27062 
1 1 1 -3  9  23 o 67.09598 6.422876 391.3745       72.69233 345.0064       110.8954 426.3089       96.25674 61.90926 10.88697 69.66811 8.251188 -7.758842      13.66046 
1 1 1 -3  9  24 f 72.62334 5.171689 455.8700       63.71827 429.8995       74.95455 523.5396       120.9915 70.30040 6.310866 76.84426 9.417318 -6.543861      11.33635 
1 1 1 -3  9  25 o 39.68332 8.270633 142.5781       54.22914 173.0778       63.66917 61.98816       103.4955 43.68274 8.838752 32.48386 12.76010 11.19889       15.52236 
1 1 1 -3  9  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  9  27 o 57.91744 5.698266 293.9243       55.62819 253.1276       72.35574 352.8939       86.99095 52.94590 8.273446 62.67285 8.334865 -9.726955      11.74393 
1 1 1 -3  9  28 o 61.92708 5.669785 336.6140       59.29274 325.9875       78.84256 350.4480       89.95773 60.19350 7.857718 62.09173 8.724783 -1.898232      11.74162 
1 1 1 -3  9  29 o 52.64013 6.568430 247.7112       57.75977 285.5995       73.29266 185.6160       93.82903 56.06281 7.872670 43.49485 12.15963 12.56795       14.48570 
1 1 1 -3  9  30 o 32.87210 9.046419 102.5505       52.38031 81.64623       67.30548 134.6582       83.41374 30.30104 10.57642 37.14459 11.74426 -6.843546      15.80469 
1 1 1 -3  9  31 o 62.84027 6.686515 356.3069       70.65070 352.3584       92.91192 361.7197       108.7856 61.09875 9.189604 60.81718 10.87386 0.2815704      14.23691 
1 1 1 -3  9  32 o 32.16081 10.52725 100.6534       66.63804 106.2641       88.00706 93.11397       102.0186 33.33376 12.04738 32.69482 12.71807 0.6389427      17.51824 
1 1 1 -3  10 1  o 253.7961 4.136738 5503.402       179.2854 5489.442       254.2345 5517.211       252.8668 253.3883 5.875515 254.0311 5.829122 -0.6427765     8.276494 
1 1 1 -3  10 2  o 190.9280 3.706359 3114.185       120.8424 3256.792       172.3059 2976.150       169.5219 195.2012 5.169110 186.5956 5.320134 8.605591       7.417785 
1 1 1 -3  10 3  o 224.3768 3.498363 4300.693       134.0432 4259.544       189.7824 4341.654       189.3497 223.2455 4.978190 225.3895 4.919592 -2.144028      6.998912 
1 1 1 -3  10 4  o 388.7014 4.941100 12913.19       327.9757 12927.61       464.8825 12898.91       462.7799 388.7245 7.003245 388.2954 6.979276 0.4291077      9.887150 
1 1 1 -3  10 5  o 156.5975 3.469857 2094.891       92.78939 2069.808       132.0632 2119.347       130.4006 155.6157 4.969658 157.4709 4.849283 -1.855179      6.943562 
1 1 1 -3  10 6  f 386.3539 5.364416 12761.35       353.9237 11996.82       500.7881 13524.28       500.2596 374.3315 7.834218 397.5102 7.369623 -23.17868      10.75576 
1 1 1 -3  10 7  o 153.3977 2.807110 2009.896       73.53265 2042.998       103.8396 1976.601       104.1428 154.6276 3.932548 152.0920 4.009784 2.535675       5.616342 
1 1 1 -3  10 8  o 135.7979 5.849074 1577.412       135.6382 1562.612       149.7294 1645.124       320.2677 135.1312 6.488581 137.4393 13.83384 -2.308151      15.27995 
1 1 1 -3  10 9  o 126.5698 4.044981 1369.155       87.42757 1361.875       144.9405 1373.318       109.6143 125.9431 6.764041 126.7272 5.065184 -0.7841034     8.450346 
1 1 1 -3  10 10 o 177.4624 3.659958 2691.355       110.9135 2693.955       158.1991 2688.842       155.5452 177.4664 5.220186 177.3029 5.137345 0.1634674      7.324115 
1 1 1 -3  10 11 o 79.88027 4.735879 547.6464       64.31324 623.6530       94.02635 480.8252       88.16193 85.08076 6.521309 74.57968 7.004499 10.50108       9.570292 
1 1 1 -3  10 12 o 145.5220 5.407032 1812.741       134.3660 1760.859       188.7213 1866.079       191.3504 143.0251 7.755924 147.2665 7.635131 -4.241440      10.88345 
1 1 1 -3  10 13 o 162.3528 4.481236 2255.116       124.2395 2319.751       181.0335 2197.573       170.8139 164.4858 6.445085 160.1157 6.247225 4.370056       8.975909 
1 1 1 -3  10 14 o 101.3817 4.545257 879.6686       78.69009 798.6153       113.1271 955.6485       109.5293 96.20224 6.932663 105.3939 6.111976 -9.191666      9.242190 
1 1 1 -3  10 15 o 98.78082 5.130365 838.1588       86.24325 744.3159       123.9797 926.1441       120.0480 92.66922 7.910303 103.6216 6.822426 -10.95235      10.44598 
1 1 1 -3  10 16 o 159.9066 5.182313 2191.598       141.5116 1947.081       201.2431 2430.767       199.0305 150.1480 7.876210 168.1539 6.931240 -18.00581      10.49175 
1 1 1 -3  10 17 o 137.7811 4.767708 1626.656       112.1763 1675.341       159.8728 1579.443       157.4379 139.5854 6.707065 135.3451 6.833945 4.240372       9.575360 
1 1 1 -3  10 18 o 136.1214 4.661627 1587.968       108.3592 1527.385       155.3047 1645.438       151.2615 133.0393 6.859352 138.3350 6.403163 -5.295624      9.383560 
1 1 1 -3  10 19 o 52.98098 6.873932 245.7133       60.72527 442.6715       91.07296 88.05368       81.48219 71.22938 7.604914 33.39729 11.63823 37.83209       13.90263 
1 1 1 -3  10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  10 21 o 63.89653 6.608356 355.3669       71.06429 343.2856       108.9679 364.3078       93.74208 61.86141 10.70257 64.25086 8.773143 -2.389454      13.83883 
1 1 1 -3  10 22 o 175.9287 5.557342 2660.973       166.9574 2560.209       238.5823 2757.670       233.7197 171.8941 8.127843 178.5438 7.665647 -6.649673      11.17246 
1 1 1 -3  10 23 o 145.4806 5.789996 1823.624       143.8418 1731.888       217.9870 1894.374       191.4356 140.5550 9.131524 147.5998 7.621132 -7.044815      11.89396 
1 1 1 -3  10 24 o 127.5820 5.629410 1405.190       122.6462 1449.702       179.4322 1366.157       168.0251 128.5510 8.216745 124.8962 7.919096 3.654778       11.41170 
1 1 1 -3  10 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  10 26 o 25.84938 10.51503 29.02431       72.82700 48.86340       111.9068 14.44932       95.91788 31.87883 13.00859 27.61202 11.71279 4.266808       17.50466 
1 1 1 -3  10 27 o 118.8893 6.200934 1238.167       125.4569 1335.595       185.2106 1155.561       170.5416 121.8476 8.964109 113.3515 8.881569 8.496132       12.61893 
1 1 1 -3  10 28 o 41.72414 10.74522 166.8813       77.02425 344.3822       117.6575 33.75956       101.8928 59.67320 11.96271 29.23274 12.21603 30.44046       17.09789 
1 1 1 -3  10 29 o 44.78668 8.523161 187.3471       62.80410 312.1483       72.82679 -174.7721      124.0531 58.63125 7.441325 21.84572 10.60430 36.78553       12.95471 
1 1 1 -3  10 30 o 37.51054 9.497581 135.8265       60.89775 43.01674       76.32374 298.4268       101.0237 26.78794 10.81165 55.04480 11.13001 -28.25687      15.51673 
1 1 1 -3  10 31 o 48.72197 7.482086 220.1711       60.26128 222.4613       72.78307 215.1791       107.4576 48.05693 9.204106 44.86798 13.16548 3.188950       16.06379 
1 1 1 -3  11 1  o 163.9734 3.502844 2297.231       98.08354 2196.927       139.9816 2393.974       137.4745 160.2940 5.113894 167.3417 4.810788 -7.047714      7.021081 
1 1 1 -3  11 2  o 204.5962 3.862092 3576.977       134.9342 3448.992       192.4817 3700.649       189.2118 200.8129 5.613013 208.0276 5.326295 -7.214798      7.737916 
1 1 1 -3  11 3  f 210.2470 3.338245 3776.572       119.8533 3762.062       172.1714 3790.215       166.9457 209.7737 4.806269 210.5661 4.642851 -0.7924042     6.682536 
1 1 1 -3  11 4  o 62.42566 3.609029 334.0941       38.30882 347.5939       56.83234 322.8524       51.86190 63.53498 5.286169 61.24455 5.002511 2.290424       7.277960 
1 1 1 -3  11 5  o 321.7792 4.410270 8851.003       242.3400 8683.797       347.5679 9009.194       338.0703 318.5221 6.389961 324.4698 6.101418 -5.947784      8.835095 
1 1 1 -3  11 6  o 306.4364 4.943158 8030.192       258.6704 7900.170       437.6282 8100.010       320.6852 303.4948 8.444076 307.6406 6.104266 -4.145782      10.41943 
1 1 1 -3  11 7  o 46.50965 5.203712 187.3393       40.62103 177.2689       55.94883 198.5654       59.07195 44.86828 7.571638 47.55706 7.524224 -2.688774      10.67444 
1 1 1 -3  11 8  o 177.9850 3.998788 2708.033       121.5384 2801.072       169.3120 2609.125       174.5712 180.9224 5.480163 174.5859 5.855465 6.336487       8.019892 
1 1 1 -3  11 9  o 148.7345 3.131729 1890.368       79.54222 2166.677       115.5729 1641.696       109.6408 159.1796 4.251738 138.5403 4.634408 20.63936       6.289277 
1 1 1 -3  11 10 o 139.2715 3.405497 1657.910       80.99246 1728.218       116.2252 1591.534       112.9273 142.1197 4.788990 136.3802 4.848926 5.739471       6.815168 
1 1 1 -3  11 11 o 152.4218 4.169663 1987.224       108.5301 2234.393       183.7663 1854.838       134.4902 161.3977 6.667556 147.1718 5.351361 14.22591       8.549465 
1 1 1 -3  11 12 o 31.53128 9.552491 86.29515       55.87447 83.16306       75.56525 90.07323       82.99287 32.50336 11.21442 33.90033 11.74945 -1.396965      16.24232 
1 1 1 -3  11 13 o 110.2169 5.132545 1040.641       96.60126 1049.991       143.1324 1032.820       130.9135 110.2301 7.651270 109.4206 7.043640 0.8095322      10.39975 
1 1 1 -3  11 14 f 55.97825 6.804438 273.1465       63.70731 285.5739       87.10204 258.8505       93.42097 56.78197 9.305313 53.75301 10.55417 3.028969       14.07051 
1 1 1 -3  11 15 o 93.71325 5.131473 755.0782       81.80724 752.9984       123.8111 756.6898       108.9873 93.15178 7.856679 93.55809 6.869733 -0.4063110     10.43651 
1 1 1 -3  11 16 f 253.0705 5.952459 5500.488       257.2408 5104.014       362.9610 5900.620       364.6317 242.9570 8.748401 261.4402 8.167333 -18.48318      11.96828 
1 1 1 -3  11 17 o 159.1705 5.056036 2173.067       137.4278 2065.490       195.9328 2277.242       192.8095 154.7773 7.413066 162.6145 6.943322 -7.837143      10.15693 
1 1 1 -3  11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  11 20 o 112.7324 5.409539 1091.782       104.1384 1047.913       148.2478 1134.517       146.3191 109.7770 7.962303 114.3500 7.535351 -4.573074      10.96265 
1 1 1 -3  11 21 o 133.5697 5.392173 1533.487       122.9911 1368.797       171.2755 1708.821       176.7237 125.4407 8.037966 140.4015 7.397012 -14.96080      10.92358 
1 1 1 -3  11 22 o 128.6865 5.933507 1427.903       130.3906 1540.315       183.1569 1312.386       185.6691 132.8604 8.111691 122.3078 8.951811 10.55255       12.08033 
1 1 1 -3  11 23 o 95.66644 6.729701 797.7549       109.2402 465.0475       174.0873 1013.852       140.3008 69.90759 15.02970 107.5844 7.687385 -37.67686      16.88158 
1 1 1 -3  11 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  11 25 o 36.07729 11.23131 118.8589       76.59406 154.7409       117.2423 92.14185       101.1675 41.27056 13.97496 34.52907 12.84298 6.741493       18.98003 
1 1 1 -3  11 26 f 129.4162 6.011210 1461.232       132.8472 1711.408       195.6778 1247.332       180.9357 138.5001 8.311955 117.6798 9.073726 20.82031       12.30533 
1 1 1 -3  11 27 o 88.16525 6.399669 686.2874       95.69455 818.6098       142.5893 577.8477       129.0817 94.92960 8.899857 79.15630 9.755891 15.77329       13.20549 
1 1 1 -3  11 28 o 28.28224 10.87904 58.49245       74.00203 128.3386       113.4323 6.737710       97.64294 37.36311 13.65068 26.60052 11.55593 10.76259       17.88520 
1 1 1 -3  11 29 o 45.56087 11.09196 205.8189       85.48869 111.1038       145.8472 255.3931       105.5154 36.99920 14.94110 50.08567 12.40213 -13.08648      19.41776 
1 1 1 -3  11 30 o 49.14499 10.12174 236.7235       82.11635 377.1179       125.4125 131.3622       108.6442 60.46001 12.55754 36.56886 13.35962 23.89115       18.33498 
1 1 1 -3  12 1  o 158.7977 3.126828 2154.716       84.79108 2074.717       122.7900 2227.633       117.2286 155.7522 4.616650 161.4102 4.253051 -5.657990      6.277093 
1 1 1 -3  12 2  o 252.4680 3.801643 5448.462       163.9002 5353.540       233.6199 5540.467       230.0022 250.1084 5.469904 254.4563 5.293183 -4.347824      7.611678 
1 1 1 -3  12 3  o 187.3669 3.761038 3000.860       120.3379 2800.555       173.9559 3184.686       166.6463 180.8794 5.631812 192.9327 5.058105 -12.05336      7.569790 
1 1 1 -3  12 4  o 147.4716 3.248669 1858.508       81.81174 1726.086       117.6685 1982.422       113.8258 142.0451 4.851007 152.2547 4.377920 -10.20964      6.534405 
1 1 1 -3  12 5  o 259.8839 8.572865 5803.211       380.4586 5508.319       411.1466 7560.325       1003.611 253.0104 9.516044 291.8271 20.26463 -38.81674      22.38772 
1 1 1 -3  12 6  o 137.5022 3.906597 1616.567       91.72971 1770.986       153.7708 1531.260       114.2926 143.7631 6.263607 133.7655 5.003477 9.997620       8.016705 
1 1 1 -3  12 7  o 231.9356 3.786184 4599.516       149.9585 4424.415       212.3809 4773.606       211.7671 227.3057 5.471459 236.1323 5.251716 -8.826599      7.584022 
1 1 1 -3  12 8  o 233.4460 3.799530 4660.169       151.4671 4688.621       215.3223 4632.300       213.1084 233.9787 5.389032 232.5722 5.365879 1.406509       7.604888 
1 1 1 -3  12 9  o 195.3496 3.652832 3263.263       121.8552 3231.114       176.8155 3292.345       168.1682 194.2196 5.331203 196.0866 5.022199 -1.866974      7.324220 
1 1 1 -3  12 10 o 162.7507 3.007146 2264.083       83.57557 2430.884       120.2563 2108.255       116.2337 168.5537 4.177992 156.9576 4.336585 11.59607       6.021759 
1 1 1 -3  12 11 o 144.0018 3.527928 1773.403       86.75402 1634.630       124.8530 1902.954       120.6332 138.1138 5.293706 149.0725 4.738791 -10.95871      7.104890 
1 1 1 -3  12 12 o 120.4776 5.140593 1243.933       105.7600 1119.058       155.1994 1352.194       144.5069 113.6890 8.046074 125.2596 6.781034 -11.57063      10.52244 
1 1 1 -3  12 13 o 108.2132 4.727547 1003.251       87.36108 1130.669       126.5495 887.2471       120.7490 114.5263 6.497490 101.3204 7.022181 13.20590       9.567048 
1 1 1 -3  12 14 o 220.9556 5.434997 4188.814       205.0720 4103.305       291.2513 4272.888       288.7954 218.1242 7.819194 222.6485 7.595714 -4.524307      10.90113 
1 1 1 -3  12 15 o 194.3467 5.253792 3240.619       174.3621 3157.429       248.4743 3321.326       244.7386 191.3308 7.604918 196.3113 7.300544 -4.980499      10.54195 
1 1 1 -3  12 16 o 107.0265 4.925693 982.4799       90.02448 827.0370       130.1308 1125.156       124.6723 97.54608 7.879370 114.1778 6.420261 -16.63168      10.16387 
1 1 1 -3  12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  12 18 o 69.48267 6.312112 418.8345       74.07793 427.7061       112.8545 412.1183       98.19304 69.47319 9.783596 68.45978 8.588322 1.013412       13.01837 
1 1 1 -3  12 19 o 57.79284 8.206814 294.8555       78.71830 292.2961       106.9421 297.8822       116.2939 56.75782 11.42905 57.10837 12.28913 -0.3505440     16.78231 
1 1 1 -3  12 20 o 51.43060 10.99003 240.8305       93.59248 273.5159       130.2046 205.8878       134.6256 54.30278 13.96307 47.76097 14.89360 6.541809       20.41535 
1 1 1 -3  12 21 o 121.8349 5.788938 1280.125       120.4405 1153.890       176.2417 1390.734       164.9734 114.5104 9.087523 126.2914 7.686159 -11.78097      11.90211 
1 1 1 -3  12 22 o 66.45628 8.031108 391.3565       89.29219 476.9189       134.1453 323.2856       119.6505 72.31832 11.22639 58.92004 12.28961 13.39828       16.64531 
1 1 1 -3  12 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  12 24 o 47.18244 10.23025 207.2404       80.05152 226.2246       122.0047 192.8890       106.0785 48.34870 13.98319 44.94878 13.04982 3.399918       19.12662 
1 1 1 -3  12 25 f 100.2127 6.392264 882.1354       108.8201 776.9273       151.9565 992.8881       155.9093 92.30159 9.790146 105.0832 8.768422 -12.78164      13.14276 
1 1 1 -3  12 26 o 66.42661 8.238921 400.1245       91.45138 514.0928       151.7233 335.0920       114.6109 72.80233 12.66395 58.96384 11.79446 13.83849       17.30564 
1 1 1 -3  12 27 o 19.80432 9.288506 -67.40598      79.35547 -60.19267      110.3452 -75.13280      114.2055 24.44772 11.29093 24.25182 11.29830 0.1959000      15.97300 
1 1 1 -3  12 28 o 54.93166 9.814509 288.5289       88.68627 285.1966       149.6190 290.3339       110.1161 50.81598 15.67729 53.55761 12.29939 -2.741631      19.92618 
1 1 1 -3  12 29 o 54.77450 9.336725 287.1905       84.20057 346.9311       128.0634 241.6994       111.7515 57.31633 13.33510 47.68267 13.24896 9.633656       18.79786 
1 1 1 -3  13 1  o 116.0807 3.394473 1151.979       67.28751 1191.649       98.48403 1117.248       92.14933 117.9820 4.888189 114.2495 4.723194 3.732491       6.797276 
1 1 1 -3  13 2  o 227.9641 3.951267 4444.836       153.8171 4093.535       219.4155 4784.318       215.6928 218.5409 5.879394 236.3402 5.344364 -17.79929      7.945408 
1 1 1 -3  13 3  o 120.9139 5.218316 1252.131       107.7478 1188.903       159.5468 1305.147       146.0969 117.3121 8.012131 123.1051 6.978356 -5.792923      10.62505 
1 1 1 -3  13 4  o 101.0623 3.834630 873.5379       66.17812 905.3547       87.34691 830.6622       101.3969 102.8272 4.974364 98.24065 6.073889 4.586548       7.850887 
1 1 1 -3  13 5  o 215.8834 3.913550 3986.506       144.2753 3867.439       241.2452 4052.802       180.0150 212.2741 6.655180 217.5668 4.845225 -5.292740      8.232109 
1 1 1 -3  13 6  f 131.2757 2.973413 1473.017       66.65635 1570.494       96.34380 1383.518       92.31768 135.4797 4.164353 127.1538 4.251612 8.325943       5.951306 
1 1 1 -3  13 7  o 277.6674 4.301270 6598.411       203.9499 6539.495       289.5408 6656.430       287.3294 276.0897 6.141262 278.5688 6.040122 -2.479156      8.613835 
1 1 1 -3  13 8  o 137.2901 3.461997 1611.901       81.16484 1613.147       115.7622 1610.696       113.8310 137.2308 4.939844 137.1334 4.860886 0.9732056E-01  6.930387 
1 1 1 -3  13 9  o 311.7648 4.516557 8322.933       240.4565 8488.389       340.7977 8158.907       339.3208 314.4081 6.347475 308.2182 6.446890 6.189911       9.047256 
1 1 1 -3  13 10 o 102.5298 3.407706 899.1434       59.66428 854.4114       86.84295 939.1342       82.11176 99.70850 5.117596 104.7108 4.592106 -5.002312      6.875844 
1 1 1 -3  13 11 o 105.0136 3.270077 943.1875       58.64157 917.6912       87.69952 963.8061       78.86552 103.4706 4.963389 106.0860 4.353385 -2.615448      6.602060 
1 1 1 -3  13 12 o 41.89621 4.688305 152.2832       32.96727 170.7789       53.37723 140.8764       41.91801 43.94215 7.374591 40.00227 6.348456 3.939888       9.730749 
1 1 1 -3  13 13 o 110.6478 4.837947 1049.691       91.41255 975.3573       127.8113 1127.535       130.7940 106.1757 7.090005 114.2619 6.732992 -8.086174      9.777595 
1 1 1 -3  13 14 o 107.3054 19.21275 1076.321       339.1290 1235.003       426.3114 802.8457       559.6566 113.2713 22.82834 89.71024 30.53222 23.56103       38.12282 
1 1 1 -3  13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  13 17 o 59.04724 7.105582 305.0958       70.20914 175.3694       108.3661 398.9428       92.17001 44.19607 13.28396 67.40215 8.175085 -23.20609      15.59793 
1 1 1 -3  13 18 o 141.6024 5.383863 1723.430       130.1867 1549.243       181.3729 1908.550       186.9785 133.4977 7.992799 148.5851 7.369099 -15.08745      10.87145 
1 1 1 -3  13 19 o 61.52970 8.722241 336.0259       89.08040 271.5538       134.5953 386.2791       118.8299 53.94194 14.35809 65.37766 11.03671 -11.43572      18.10977 
1 1 1 -3  13 20 o 73.76332 7.449323 477.6498       92.54818 512.4267       139.4658 450.2860       123.7116 75.20244 11.20200 70.62853 10.58312 4.573906       15.41062 
1 1 1 -3  13 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  13 22 o 62.68997 8.511190 352.4280       88.75940 344.1227       134.5847 358.8210       118.0783 59.99019 13.46762 62.09534 11.56091 -2.105152      17.74913 
1 1 1 -3  13 23 o 162.3334 5.656280 2289.271       156.7981 2426.451       234.3659 2178.116       210.9672 165.2938 8.329782 156.8930 7.899562 8.400818       11.47991 
1 1 1 -3  13 24 o 123.0005 5.662375 1317.854       118.9343 1311.469       173.8910 1323.466       163.0309 120.9750 8.470886 121.9192 7.872677 -0.9442368     11.56438 
1 1 1 -3  13 25 o 27.52345 10.81720 48.38961       74.41393 125.5764       114.9238 -7.335849      97.64841 37.62588 13.74112 25.93561 11.40470 11.69026       17.85736 
1 1 1 -3  13 26 o 32.03643 11.62821 89.06133       82.11678 -33.27692      142.5743 149.7895       100.4512 29.13708 13.22029 39.05276 12.93191 -9.915682      18.49352 
1 1 1 -3  13 27 o 39.74113 11.18679 156.8972       79.13208 116.8192       120.4912 187.2940       104.9341 36.21841 13.89362 42.64144 13.12479 -6.423023      19.11263 
1 1 1 -3  13 28 o 33.57906 12.41551 104.3572       94.26718 -29.01530      145.5782 200.6615       123.7046 28.90876 13.20982 43.05949 14.35529 -14.15073      19.50830 
1 1 1 -3  14 1  o 165.6129 10.48147 2387.072       294.8985 2203.690       406.3869 2591.046       428.5977 157.4093 15.31228 170.9961 14.82452 -13.58675      21.31272 
1 1 1 -3  14 2  o 63.20097 5.120005 344.5361       54.78325 299.8563       70.09870 414.6456       87.80981 58.62500 7.150194 69.00347 7.576658 -10.37848      10.41782 
1 1 1 -3  14 3  o 147.4497 3.584171 1859.756       90.24738 2023.303       151.5803 1769.949       112.3253 153.5715 5.780032 143.7626 4.575406 9.808853       7.371778 
1 1 1 -3  14 4  o 168.2840 3.732499 2422.918       107.2617 2240.994       155.0009 2590.092       148.5843 161.6362 5.615567 173.8522 5.004847 -12.21603      7.522172 
1 1 1 -3  14 5  o 92.47740 3.567493 731.5844       56.33791 710.0797       85.35255 748.1871       74.99603 90.82187 5.529644 93.33636 4.720619 -2.514496      7.270572 
1 1 1 -3  14 6  o 138.6041 3.684046 1643.694       87.19730 1598.576       127.9413 1682.830       119.1579 136.5170 5.488102 140.1250 4.979726 -3.607971      7.410596 
1 1 1 -3  14 7  o 173.8289 3.371943 2584.593       100.0931 2868.629       147.1121 2339.770       136.5800 182.9764 4.708162 165.2348 4.840426 17.74161       6.752520 
1 1 1 -3  14 8  o 168.3024 3.305256 2422.882       94.99428 2481.921       137.6445 2369.187       131.2667 170.1800 4.736400 166.2846 4.622754 3.895401       6.618408 
1 1 1 -3  14 9  o 217.1333 3.631958 4034.553       134.6694 4344.490       191.2369 3729.656       189.6754 225.0990 4.975036 208.4997 5.327257 16.59924       7.289077 
1 1 1 -3  14 10 o 253.4409 4.429127 5503.432       191.6888 5168.856       271.6870 5835.079       270.4948 245.1292 6.490407 260.5667 6.079084 -15.43748      8.892730 
1 1 1 -3  14 11 o 158.8728 3.514010 2160.042       95.33548 2121.493       136.1446 2197.130       133.5426 157.2551 5.069832 160.0609 4.885766 -2.805740      7.040874 
1 1 1 -3  14 12 o 243.6116 30.72901 6026.451       1249.906 6026.451       1249.906 0.000000       0.000000 243.6116 30.72901 ?        ?        0.000000       30.72901 
1 1 1 -3  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  14 14 o 78.35754 6.283141 531.6910       83.36643 435.7409       119.8903 621.5179       116.0017 69.98999 10.34259 84.38264 8.151763 -14.39265      13.16892 
1 1 1 -3  14 15 o 86.01830 5.754199 639.0529       84.03602 484.7290       126.5557 760.7647       112.3910 73.84135 10.31833 93.62970 7.081727 -19.78835      12.51474 
1 1 1 -3  14 16 o 92.81298 5.605656 743.4291       88.42890 635.2753       132.9872 829.1512       118.3955 84.94010 9.321659 97.72431 7.144156 -12.78421      11.74446 
1 1 1 -3  14 17 o 124.3152 6.090395 1332.506       129.2920 1093.216       200.6344 1502.450       169.0809 111.0084 10.71719 131.4509 7.564239 -20.44250      13.11777 
1 1 1 -3  14 18 o 99.34811 7.084330 860.1479       119.4002 907.4534       179.3295 822.4772       160.0288 100.8435 10.57078 96.22313 9.879249 4.620392       14.46862 
1 1 1 -3  14 19 o 145.8805 5.790949 1840.214       144.2610 1813.425       203.3969 1867.332       204.6405 143.6310 8.328418 145.7941 8.253455 -2.163055      11.72527 
1 1 1 -3  14 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  14 21 o 139.8819 5.583169 1696.768       133.3657 1752.796       194.6467 1647.191       183.0978 140.7540 8.132778 136.5786 7.884047 4.175385       11.32697 
1 1 1 -3  14 22 o 69.66393 8.014216 434.7289       93.60188 570.1405       155.8419 358.3132       117.0705 77.78047 12.12869 61.64147 11.54604 16.13900       16.74563 
1 1 1 -3  14 23 o 85.64603 6.963876 650.2524       100.9678 668.0850       163.5136 639.2628       128.3631 84.14326 11.69605 83.83953 9.112544 0.3037338      14.82687 
1 1 1 -3  14 24 f 112.2375 5.848702 1107.459       111.7104 1276.334       165.2309 965.2759       151.6112 118.9104 8.186981 102.9811 8.702769 15.92932       11.94843 
1 1 1 -3  14 25 o 23.99152 10.23098 12.47537       73.87251 -67.66483      114.0440 70.40932       96.96474 24.46377 11.36136 31.20009 12.32058 -6.736317      16.75939 
1 1 1 -3  14 26 o 44.04708 12.32127 198.1550       96.31049 477.1525       149.0109 -2.014776      126.2168 68.15221 13.28107 28.75437 12.78920 39.39785       18.43775 
1 1 1 -3  14 27 o 42.06589 11.16367 179.5917       81.52380 57.80061       124.7772 270.3033       107.6859 31.65555 13.38970 50.87960 12.48705 -19.22405      18.30875 
1 1 1 -3  15 1  o 121.0950 5.402128 1258.302       111.7103 1238.633       118.3813 1418.208       337.5424 120.1027 5.772031 125.2237 16.16203 -5.121010      17.16181 
1 1 1 -3  15 2  o 80.70715 4.484783 559.7802       61.56580 596.8174       100.5097 537.5389       77.88776 82.94012 7.166862 78.90485 5.821591 4.035278       9.233355 
1 1 1 -3  15 3  o 122.4536 4.774797 1285.349       99.84553 1370.518       144.0941 1206.689       138.4790 126.0287 6.719630 118.2011 6.890451 7.827606       9.624538 
1 1 1 -3  15 4  o 32.56906 7.321598 94.99516       39.73047 92.67583       60.19864 96.78510       52.88407 32.58331 9.925089 32.92992 9.101132 -0.3466110     13.46618 
1 1 1 -3  15 5  o 127.8690 3.787650 1399.608       82.70599 1267.228       122.5350 1510.380       112.0896 121.4509 5.908231 132.7140 4.945916 -11.26313      7.705146 
1 1 1 -3  15 6  o 37.42188 6.909671 124.3560       42.52888 116.8544       66.00984 129.6798       55.60865 36.16970 10.22980 37.96626 8.755923 -1.796562      13.46533 
1 1 1 -3  15 7  o 49.26750 5.321893 210.7293       44.06302 149.0667       69.10366 252.9774       57.19965 40.61612 10.02421 53.86855 6.339388 -13.25243      11.86055 
1 1 1 -3  15 8  o 29.92100 11.93189 42.08887       91.77085 34.18732       99.61048 86.44227       236.0002 30.21280 12.29459 45.87651 18.82529 -15.66371      22.48440 
1 1 1 -3  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  15 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  15 12 o 71.21076 4.264224 436.1715       51.61605 436.4780       93.80218 436.0384       61.81636 70.61050 7.915563 71.08429 5.126873 -0.4737930     9.430852 
1 1 1 -3  15 13 o 57.57647 4.890523 286.5581       47.62915 340.5260       106.9523 273.2076       53.19516 61.59850 10.54689 56.09574 5.629088 5.502766       11.95506 
1 1 1 -3  15 14 o 70.21407 6.767853 429.3458       80.14292 245.0372       115.7254 599.1998       111.0948 51.55045 13.11457 82.78421 7.956595 -31.23376      15.33947 
1 1 1 -3  15 15 o 110.1178 5.867940 1047.968       109.9451 863.6407       146.4071 1286.345       166.4943 99.18501 8.733061 121.4105 8.076551 -22.22554      11.89525 
1 1 1 -3  15 16 o 169.1542 5.720324 2468.651       165.2363 2356.597       233.5007 2581.049       233.8585 164.1102 8.359718 172.1312 7.955944 -8.020996      11.54045 
1 1 1 -3  15 17 o 44.18881 11.00197 180.8957       82.69975 269.6008       127.9314 117.2172       108.3924 53.29673 13.90874 37.74405 13.40069 15.55268       19.31402 
1 1 1 -3  15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  15 19 o 83.27069 7.257250 611.2881       102.1652 603.6146       167.5755 615.8277       128.8893 80.29891 12.63850 82.77552 9.277912 -2.476608      15.67837 
1 1 1 -3  15 20 o 133.7754 5.799736 1556.675       132.4910 1695.064       203.6939 1455.191       174.4322 137.7787 8.702240 128.0493 8.017552 9.729401       11.83259 
1 1 1 -3  15 21 o 43.32663 11.35853 179.4855       85.06587 386.1758       146.6692 74.71597       104.4230 62.46325 14.08626 32.90721 12.84859 29.55604       19.06591 
1 1 1 -3  15 22 f 84.53924 7.130964 636.7030       101.9848 610.8931       143.2178 663.2544       145.2605 80.81138 10.63665 84.47684 10.28154 -3.665466      14.79352 
1 1 1 -3  15 23 o 70.41205 7.539223 448.1753       89.24261 380.1797       134.2158 502.0612       119.4815 61.45634 13.18400 73.24183 9.798594 -11.78549      16.42652 
1 1 1 -3  15 24 o 30.31152 11.19710 77.59116       76.63800 141.0487       118.7217 32.25737       100.3459 38.29525 13.96926 28.42450 12.01441 9.870754       18.42515 
1 1 1 -3  15 25 o 37.93541 11.35660 143.7780       79.31888 246.5751       122.7030 69.98680       103.9602 47.92397 14.07021 31.33784 12.62863 16.58613       18.90643 
1 1 1 -3  15 26 o 41.19862 12.62993 179.1371       97.28153 140.1230       150.1201 207.3813       127.7298 38.07636 15.23477 43.24117 14.58689 -5.164806      21.09208 
1 1 1 -3  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 7  o 89.39521 4.230072 684.8074       64.57494 573.0695       107.9793 747.0186       80.57030 81.04517 7.902649 93.15646 5.083992 -12.11129      9.396746 
1 1 1 -3  16 8  o 92.65805 3.989921 735.5076       63.13197 805.5835       106.4003 697.4321       78.42979 96.49467 6.494894 89.98694 5.125080 6.507729       8.273457 
1 1 1 -3  16 9  o 189.5930 3.797246 3078.727       122.9400 3065.225       180.3775 3090.440       168.0076 188.8332 5.593739 189.6979 5.186381 -0.8647461     7.628136 
1 1 1 -3  16 10 o 57.47596 4.648367 285.2526       45.23292 248.7046       74.86801 306.2622       56.76421 52.89248 8.583174 59.41396 5.663354 -6.521477      10.28321 
1 1 1 -3  16 11 o 249.2842 4.236429 5329.015       180.3419 4994.414       256.6298 5655.460       253.4832 240.7212 6.242966 256.3243 5.791052 -15.60312      8.515334 
1 1 1 -3  16 12 o 161.5737 3.757875 2237.499       103.6848 2071.703       151.4160 2383.882       142.2754 155.0863 5.717371 166.5316 5.003007 -11.44533      7.597264 
1 1 1 -3  16 13 o 21.35281 8.510050 21.10293       46.65684 49.45574       113.4118 15.32680       51.18924 32.63953 13.17719 21.47081 8.783986 11.16872       15.83656 
1 1 1 -3  16 14 o 58.95486 8.862807 311.0454       86.46546 178.0874       133.2939 407.6378       113.6121 44.64999 14.90200 67.20318 10.22217 -22.55319      18.07104 
1 1 1 -3  16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 17 o 190.6855 5.812181 3155.919       189.2600 3107.104       279.4658 3197.272       257.2236 187.2965 8.737698 190.6207 7.902032 -3.324234      11.78089 
1 1 1 -3  16 18 o 100.2032 6.125896 878.2679       104.3187 823.5956       154.8701 923.6770       141.1415 95.36517 9.642378 101.8349 8.185416 -6.469765      12.64818 
1 1 1 -3  16 19 o 99.50076 6.488157 870.8543       109.6394 964.1505       154.4942 776.1947       155.6190 103.4602 8.829054 92.04388 10.06471 11.41631       13.38845 
1 1 1 -3  16 20 o 21.60770 9.878805 -43.24164      81.55098 -187.4896      114.9819 102.7690       115.6823 20.57059 10.03533 35.84286 13.64575 -15.27226      16.93855 
1 1 1 -3  16 21 o 84.92412 6.671625 641.6792       95.97421 615.2141       144.0742 662.7916       128.6823 80.67029 10.72430 84.94924 9.008140 -4.278954      14.00561 
1 1 1 -3  16 22 o 36.79981 11.31761 132.1160       78.04434 160.9681       121.4454 111.8187       101.8620 40.26953 14.19669 35.17987 12.92318 5.089661       19.19778 
1 1 1 -3  16 23 o 23.50658 10.16214 6.224373       74.77606 11.24936       117.1266 2.767207       97.15121 28.62556 12.54127 26.02344 11.41105 2.602121       16.95569 
1 1 1 -3  16 24 o 72.15883 7.592905 478.3415       92.15815 427.0634       139.8101 517.7409       122.5512 63.81303 13.26290 73.25113 10.06302 -9.438095      16.64839 
1 1 1 -3  16 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  17 1  o 90.78120 4.434389 706.7066       68.74350 747.4628       109.2352 679.9813       88.45598 92.82184 6.941703 88.71454 5.872101 4.107300       9.092238 
1 1 1 -3  17 2  o 134.4367 3.886846 1548.298       89.23131 1568.435       135.7162 1532.965       118.4274 135.0181 5.886240 133.5954 5.191094 1.422684       7.848266 
1 1 1 -3  17 3  o 48.88580 7.075497 210.4526       57.34879 228.2387       159.1036 207.7967       61.48166 50.53022 16.24582 48.44178 7.689194 2.088436       17.97360 
1 1 1 -3  17 4  o 81.95030 5.600548 580.1371       77.90651 551.1650       100.9659 622.7694       122.4766 79.49263 7.527491 84.27594 8.632162 -4.783310      11.45327 
1 1 1 -3  17 5  o 74.11584 4.821044 473.5334       60.68557 570.5726       101.4200 419.4134       75.74068 80.89973 7.424158 69.45762 6.459715 11.44211       9.841039 
1 1 1 -3  17 6  o 128.9828 3.879741 1425.719       85.45480 1411.200       130.8142 1436.527       112.8653 128.0004 5.984689 129.2961 5.111793 -1.295685      7.870637 
1 1 1 -3  17 7  o 67.19167 5.310871 390.6581       60.44059 479.1359       113.4633 355.6055       71.41648 73.56712 9.235239 63.83828 6.648671 9.728848       11.37956 
1 1 1 -3  17 8  o 104.1159 4.125527 929.8957       73.34972 866.6513       116.4611 971.4778       94.43282 99.87455 6.870267 106.2721 5.203572 -6.397598      8.618453 
1 1 1 -3  17 9  o 70.31847 4.153688 425.8224       49.65620 514.2145       83.21238 376.9386       61.88195 76.88109 6.396266 65.91396 5.549376 10.96713       8.468045 
1 1 1 -3  17 10 o 95.50862 3.937949 782.8080       64.22655 789.5323       100.1930 778.1174       83.68092 95.37295 6.185280 94.90927 5.182770 0.4636765      8.069621 
1 1 1 -3  17 11 o 91.55581 4.173464 720.2575       65.25060 624.2380       101.7588 787.3072       85.03367 84.44491 7.123111 95.41033 5.239134 -10.96542      8.842355 
1 1 1 -3  17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  17 14 o 102.9237 4.307796 912.3928       75.71336 1396.479       174.6697 800.3926       84.01672 125.6805 8.183181 96.09222 5.138685 29.58833       9.662843 
1 1 1 -3  17 15 o 62.61440 8.210437 351.7387       85.67368 281.4086       131.0732 404.1992       113.2033 53.69640 14.11020 66.32606 10.33121 -12.62966      17.48804 
1 1 1 -3  17 16 o 55.64220 9.672780 285.2800       88.57257 215.0176       151.1859 321.9982       109.2925 47.13529 15.86998 58.45622 11.35783 -11.32093      19.51554 
1 1 1 -3  17 17 o 118.5482 5.735060 1225.075       116.1007 1127.549       171.3569 1307.837       157.8552 111.7244 9.059567 121.3034 7.659849 -9.578941      11.86377 
1 1 1 -3  17 18 o 38.90422 11.68019 144.9136       83.81446 292.2852       145.7147 72.04815       102.4607 53.28084 15.24432 32.30504 12.69414 20.97580       19.83760 
1 1 1 -3  17 19 o 56.26534 9.599382 296.8788       88.92352 390.0744       151.7728 248.1642       109.7301 61.39383 14.67587 49.74788 12.83232 11.64596       19.49486 
1 1 1 -3  17 20 o 22.76849 10.12480 -14.09385      79.06631 172.0724       141.2368 -99.06638      95.41943 41.60704 15.22740 20.70783 9.853023 20.89922       18.13714 
1 1 1 -3  17 21 o 53.79182 9.431993 275.0209       83.48169 353.8241       127.8633 216.4704       110.2147 58.64465 13.09847 45.58438 13.32123 13.06026       18.68221 
1 1 1 -3  17 22 o 44.70678 11.43899 202.4217       87.68854 126.2048       150.4644 241.6220       107.9077 37.69276 15.19169 48.00059 12.89148 -10.30783      19.92430 
1 1 1 -3  17 23 o 66.35535 8.695504 416.4026       96.15957 387.4192       160.5105 432.6283       120.0967 57.66041 15.82269 65.77505 11.08645 -8.114639      19.32012 
1 1 1 -3  18 1  o 158.6487 3.859665 2159.624       104.5654 2070.055       155.6306 2233.331       141.1790 154.8217 5.886552 161.0300 5.134065 -6.208298      7.810898 
1 1 1 -3  18 2  o 60.01540 5.274172 312.6955       53.50435 238.0204       93.43927 349.1247       65.26296 50.86332 11.07198 63.26920 6.116813 -12.40588      12.64927 
1 1 1 -3  18 3  o 74.12601 4.596666 474.2648       57.89864 378.1550       97.33482 526.8937       72.02719 65.10673 8.994925 77.98295 5.442858 -12.87622      10.51349 
1 1 1 -3  18 4  o 118.6643 4.499663 1210.721       91.18053 993.1430       194.1900 1272.258       103.2728 105.1837 10.97280 121.5485 4.975472 -16.36480      12.04814 
1 1 1 -3  18 5  o 133.2250 4.604248 1527.001       104.7482 1474.771       132.7296 1613.244       170.5562 130.5960 5.951634 135.9456 7.374424 -5.349670      9.476501 
1 1 1 -3  18 6  o 19.24043 7.914883 11.10386       41.84650 80.93457       76.36994 -18.85830      50.02484 31.80656 11.25309 17.95490 8.014009 13.85165       13.81508 
1 1 1 -3  18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  18 10 o 10.98188 5.502458 -124.1908      44.09619 -20.51729      77.15471 -174.4830      53.73772 22.61955 10.03277 11.46574 5.787505 11.15381       11.58239 
1 1 1 -3  18 11 o 86.47844 4.473099 646.4854       65.83088 511.1920       104.4661 735.5992       84.78321 75.73393 8.209028 92.00380 5.420321 -16.26987      9.837073 
1 1 1 -3  18 12 o 139.8039 3.971001 1682.888       94.80282 1767.537       148.3264 1624.425       123.2675 142.4711 6.096626 136.9184 5.272115 5.552719       8.060027 
1 1 1 -3  18 13 o 73.22625 7.340095 476.2626       90.54900 435.8720       127.6833 517.1277       128.4312 68.24553 11.35515 74.99975 10.29981 -6.754219      15.33054 
1 1 1 -3  18 14 o 25.36886 9.397545 47.49272       54.05865 -71.80078      154.8475 64.04978       57.68827 29.46176 13.52215 27.85819 9.787852 1.603575       16.69283 
1 1 1 -3  18 15 o 101.0046 6.373131 898.3542       109.3612 894.7119       174.9808 900.6890       140.0930 98.24568 10.59757 100.1127 8.268554 -1.867043      13.44163 
1 1 1 -3  18 16 o 125.0487 5.648936 1367.729       120.6279 1444.208       178.0210 1302.804       164.0244 126.5492 8.283480 120.3673 8.025928 6.181961       11.53393 
1 1 1 -3  18 17 o 82.85490 7.112738 615.4651       99.66116 766.9036       164.1415 527.0389       125.4270 89.82514 10.92588 74.88686 10.06271 14.93829       14.85372 
1 1 1 -3  18 18 o 18.83363 8.973505 -87.90584      79.71297 -199.9613      112.6557 24.45054       112.8068 19.64736 9.656839 29.17196 12.54647 -9.524599      15.83251 
1 1 1 -3  18 19 o 58.38193 9.576991 324.0517       92.16766 290.9662       130.1248 357.3620       130.5659 52.22561 14.21151 58.74170 13.32257 -6.516090      19.47967 
1 1 1 -3  18 20 o 57.55825 9.814063 319.2903       93.00265 292.1106       131.2641 346.6877       131.7887 51.75553 14.35147 57.09084 13.69398 -5.335312      19.83658 
1 1 1 -3  18 21 o 18.17772 8.767669 -104.4657      81.45750 -77.81872      115.0331 -131.2664      115.3643 23.63269 11.11576 21.71153 10.46249 1.921167       15.26512 
1 1 1 -3  19 1  o 137.0713 3.780525 1614.902       88.49133 1546.392       133.8720 1668.066       117.9298 133.5104 5.871819 138.9754 4.969166 -5.465012      7.692261 
1 1 1 -3  19 2  o 27.23745 8.584637 65.07220       44.59598 43.20123       85.11098 73.34935       52.35905 28.69093 11.47417 28.97713 9.319944 -0.2862053     14.78235 
1 1 1 -3  19 3  o 133.0129 3.825913 1521.068       86.90220 1417.208       133.8943 1596.662       114.2311 127.7034 6.139852 135.9737 4.919575 -8.270309      7.867655 
1 1 1 -3  19 4  f 33.28659 8.570492 101.5703       49.00856 117.6243       91.06090 95.02400       58.14831 36.54676 12.31642 32.39125 9.729692 4.155506       15.69590 
1 1 1 -3  19 5  o 83.31448 4.334610 599.7528       61.45684 607.6732       98.01659 594.6219       78.89037 83.09734 6.971768 82.62447 5.624783 0.4728775      8.957887 
1 1 1 -3  19 6  o 54.88383 6.516773 266.2164       59.88365 209.6932       73.83541 374.8643       102.3674 47.74945 9.389756 64.13936 9.644740 -16.38990      13.46063 
1 1 1 -3  19 7  o 57.67487 5.198672 290.3527       50.65097 253.7944       83.60117 311.5549       63.66644 52.49840 9.682044 59.44641 6.370928 -6.948006      11.59011 
1 1 1 -3  19 8  o 121.2665 3.785345 1265.677       78.38774 1209.096       116.6034 1312.333       105.8842 117.8976 5.791680 123.1046 5.036804 -5.206970      7.675478 
1 1 1 -3  19 9  o 33.76096 7.905544 104.7107       44.77486 70.36427       81.51614 119.5504       53.58146 30.67912 11.50516 35.92441 8.803055 -5.245291      14.48663 
1 1 1 -3  19 10 o 97.14254 4.417249 815.4971       73.27625 758.5731       108.0883 863.9077       99.67839 92.67200 6.879202 99.35545 5.901489 -6.683449      9.063719 
1 1 1 -3  19 11 o 55.33065 7.301525 274.6515       67.30403 287.8008       103.8034 265.1140       88.40476 54.90963 11.44154 53.24238 10.09273 1.667248       15.25687 
1 1 1 -3  19 12 o 138.4478 4.062860 1655.747       96.05495 1703.684       151.6226 1623.610       124.1451 139.2652 6.375574 136.5324 5.324657 2.732788       8.306620 
1 1 1 -3  19 13 o 48.41724 7.697863 213.7599       61.51566 218.8686       129.4116 212.2685       69.92025 46.37519 14.62461 47.76443 8.899731 -1.389236      17.11971 
1 1 1 -3  19 14 o 43.34038 8.614343 175.5393       61.50939 382.7440       195.4136 152.7524       64.80338 58.11022 17.91474 40.01659 9.605173 18.09364       20.32726 
1 1 1 -3  19 15 o 48.46197 11.28302 231.6061       91.62949 307.1346       162.8078 196.5912       110.8527 52.64014 16.37248 43.77101 13.49273 8.869129       21.21584 
1 1 1 -3  19 16 o 65.43945 10.51720 412.6057       113.5473 351.0613       204.3489 440.0950       136.5713 54.10751 18.44930 66.10056 12.55824 -11.99306      22.31784 
1 1 1 -3  19 17 o 83.26050 7.284192 628.9580       102.5251 670.9670       145.5400 587.5753       144.4509 83.55827 10.42669 77.45820 11.24968 6.100075       15.33855 
1 1 1 -3  19 18 o 76.87202 7.175452 538.5747       93.10419 641.1963       141.8509 460.9058       123.4060 81.20829 10.47298 68.34674 10.94262 12.86155       15.14675 
1 1 1 -3  19 19 o 86.65968 7.162300 686.6118       105.0417 672.0598       171.9137 695.2813       132.6921 80.11920 13.01169 85.38769 9.247920 -5.268486      15.96334 
1 1 1 -3  20 1  o 94.59388 4.187686 772.5131       67.64553 681.9282       108.4165 830.2585       86.56178 87.61997 7.312686 97.64023 5.210362 -10.02026      8.979045 
1 1 1 -3  20 2  o 121.5692 3.785797 1273.403       78.59283 1354.134       122.5547 1217.011       102.4277 124.6252 5.758670 118.4246 5.064932 6.200653       7.669147 
1 1 1 -3  20 3  o 90.73454 4.112379 710.5779       63.71880 664.5036       104.6136 737.7523       80.34109 86.54637 7.142245 92.04253 5.131909 -5.496155      8.794780 
1 1 1 -3  20 4  o 32.37576 7.813671 96.59502       42.70549 129.6612       69.16643 76.22341       54.28950 37.09154 10.46491 29.27635 9.497963 7.815184       14.13243 
1 1 1 -3  20 5  o 57.31242 5.162888 287.6344       49.98690 317.9578       80.70454 268.7607       63.67027 59.22383 8.199943 54.83053 6.956556 4.393295       10.75327 
1 1 1 -3  20 6  o 29.39230 8.617387 79.24780       46.05468 47.96480       72.14513 100.7636       59.83173 27.32156 10.67640 32.94670 9.863434 -5.625143      14.53522 
1 1 1 -3  20 7  o 66.36742 6.991715 393.1718       78.04717 321.0230       95.61382 537.2346       135.1084 58.63209 9.902251 75.65557 10.76107 -17.02348      14.62379 
1 1 1 -3  20 8  o 49.34278 6.574345 218.0933       54.01748 240.6855       93.05328 206.6107       66.33936 49.92736 11.19102 47.28095 8.530284 2.646408       14.07141 
1 1 1 -3  20 9  f 45.62873 7.334112 189.4754       55.21044 91.55762       94.47147 240.2648       68.03876 33.23263 12.40082 51.20467 8.046556 -17.97203      14.78267 
1 1 1 -3  20 10 o 35.97390 8.969452 122.4728       54.91011 125.4767       96.23230 121.0226       66.86338 36.54051 12.65267 35.54239 10.37261 0.9981270      16.36097 
1 1 1 -3  20 11 o 19.38151 8.460778 -4.286141      52.88324 56.14942       91.53111 -34.56871      64.79163 29.56970 11.87304 19.21924 8.793727 10.35046       14.77493 
1 1 1 -3  20 12 o 30.08499 9.255080 84.80351       52.18646 112.5564       102.0030 74.96351       60.73747 35.17332 12.93041 29.03518 10.05205 6.138140       16.37801 
1 1 1 -3  20 13 o 30.63353 10.93333 83.36238       72.24245 77.80263       174.0932 84.51889       79.40147 36.50209 15.63948 31.16333 11.41552 5.338764       19.36253 
1 1 1 -3  20 14 o 34.35228 9.839881 114.5221       60.67769 58.81357       197.3592 120.3376       63.76621 36.61356 16.15224 35.12778 10.09455 1.485786       19.04717 
1 1 1 -3  20 15 f 61.34776 9.226944 358.2871       93.66970 293.7597       170.6342 386.1194       112.0645 49.75165 16.85931 62.52532 10.89149 -12.77367      20.07139 
1 1 1 -3  20 16 o 69.89291 9.816889 472.8567       113.9373 421.6073       209.2817 494.4454       135.8318 56.68234 18.66100 69.74012 11.82823 -13.05778      22.09389 
1 1 1 -3  21 1  o 33.76144 8.428966 107.3571       48.44611 5.614069       83.28654 159.3861       59.55871 24.74145 10.71038 41.13692 8.747554 -16.39547      13.82867 
1 1 1 -3  21 2  o 103.3032 3.977334 924.2018       70.16293 842.9093       104.7430 990.3677       94.49684 97.42580 6.330101 106.4060 5.200548 -8.980232      8.192429 
1 1 1 -3  21 3  o 56.74369 5.338887 284.3397       51.12502 249.4687       83.11640 305.5629       64.84261 51.14943 9.873376 58.33704 6.626577 -7.187614      11.89097 
1 1 1 -3  21 4  o 25.54730 8.536111 57.46975       43.73669 -22.14933      74.30203 99.68364       54.10280 21.54748 9.681347 32.42076 9.292909 -10.87329      13.41964 
1 1 1 -3  21 5  o 59.96375 5.085451 316.5589       51.58311 226.5951       84.01917 370.9825       65.34892 48.31836 10.48402 64.58339 5.993694 -16.26503      12.07639 
1 1 1 -3  21 6  o 92.02784 4.229242 735.5884       66.46358 933.5407       109.9461 621.5920       83.43436 102.4401 6.315836 83.75808 5.870430 18.68202       8.622746 
1 1 1 -3  21 7  o 56.52419 5.668758 283.9604       53.97995 156.0533       91.48280 352.2796       66.85960 39.46397 12.27264 62.72553 6.328412 -23.26156      13.80820 
1 1 1 -3  21 8  o 16.13864 7.393164 -27.02595      45.98841 34.36317       89.21230 -49.24296      53.66878 27.40304 11.43925 16.21239 7.614971 11.19065       13.74206 
1 1 1 -3  21 9  o 50.29734 6.481957 228.5667       54.37850 213.0811       90.04900 237.4551       68.22234 46.08082 11.48452 50.49673 8.192268 -4.415909      14.10700 
1 1 1 -3  21 10 o 38.14394 8.507695 138.4552       54.00649 73.69364       92.50797 171.9403       66.51907 30.80023 12.07465 42.16320 9.470140 -11.36297      15.34538 
1 1 1 -3  21 11 o 67.93884 5.982775 413.0953       68.70192 503.6301       118.7638 367.5625       84.22449 72.41356 9.860627 62.92926 8.019916 9.484303       12.71027 
1 1 1 -3  21 12 o 30.77706 9.481332 91.38057       54.74722 77.97693       111.7679 95.61175       62.79660 32.06770 13.03339 31.45713 10.21555 0.6105652      16.55979 
1 1 1 -3  21 13 o 54.21431 7.114968 270.6866       64.27972 202.5685       130.6184 292.4555       73.83990 42.60300 14.74152 55.89292 7.961289 -13.28992      16.75394 
1 1 1 -3  22 1  o 48.36783 6.608016 212.9329       53.15160 172.5968       87.10429 236.8622       67.09007 41.07256 11.79669 50.33469 8.078536 -9.262123      14.29771 
1 1 1 -3  22 2  o 32.11687 9.121359 99.44569       52.36728 135.8567       81.47089 73.81111       68.35953 36.77222 11.60456 29.08069 10.60125 7.691530       15.71790 
1 1 1 -3  22 3  o 47.72020 6.212334 206.0134       49.42411 166.1153       80.21825 230.4261       62.74867 40.51182 11.21398 49.84904 7.612765 -9.337227      13.55387 
1 1 1 -3  22 4  o 50.78959 6.481005 234.2638       54.92934 128.8228       84.63599 310.9976       72.20111 35.86935 11.86997 58.10277 7.448359 -22.23342      14.01336 
1 1 1 -3  22 5  o 26.70423 9.130898 64.41885       50.05545 168.4667       86.26580 11.60601       61.45991 40.43857 11.77621 21.90551 9.336443 18.53306       15.02825 
1 1 1 -3  22 6  o 34.52341 8.947045 115.7631       53.17870 60.21773       98.34335 138.7167       63.21869 29.79148 12.18014 37.47231 9.776539 -7.680828      15.61847 
1 1 1 -3  22 7  o 82.62025 4.531920 599.4901       63.69559 682.7657       106.0870 552.5476       79.65005 86.36884 7.260240 78.50218 5.986724 7.866661       9.410205 
1 1 1 -3  22 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  3  o 427.6656 8.466825 15654.14       617.7927 15654.14       617.7927 15654.14       617.7927 427.6656 8.466825 427.6656 8.466825 0.000000       0.000000 
1 1 1 -2  0  4  o 28.58373 3.398354 72.68291       15.96949 72.68291       15.96949 72.68291       15.96949 28.58373 3.398354 28.58373 3.398354 0.000000       0.000000 
1 1 1 -2  0  5  o 272.2686 5.896865 6342.190       273.8802 6342.190       273.8802 6342.190       273.8802 272.2686 5.896865 272.2686 5.896865 0.000000       0.000000 
1 1 1 -2  0  6  o 48.38931 5.464394 207.5672       43.67027 207.5672       43.67027 207.5672       43.67027 48.38931 5.464394 48.38931 5.464394 0.000000       0.000000 
1 1 1 -2  0  7  f 351.6474 6.268069 10577.03       376.1246 10577.03       376.1246 10577.03       376.1246 351.6474 6.268069 351.6474 6.268069 0.000000       0.000000 
1 1 1 -2  0  8  o 265.5900 5.713394 6036.501       258.8535 6036.501       258.8535 6036.501       258.8535 265.5900 5.713394 265.5900 5.713394 0.000000       0.000000 
1 1 1 -2  0  9  f 158.5020 3.751573 2149.721       101.4146 2149.721       101.4146 2149.721       101.4146 158.5020 3.751573 158.5020 3.751573 0.000000       0.000000 
1 1 1 -2  0  10 o 41.72317 3.908271 152.5874       27.28456 152.5874       27.28456 152.5874       27.28456 41.72317 3.908271 41.72317 3.908271 0.000000       0.000000 
1 1 1 -2  0  11 o 120.6962 4.078207 1248.599       83.83773 1248.599       83.83773 1248.599       83.83773 120.6962 4.078207 120.6962 4.078207 0.000000       0.000000 
1 1 1 -2  0  12 o 214.7654 5.370542 3947.665       196.6846 3947.665       196.6846 3947.665       196.6846 214.7654 5.370542 214.7654 5.370542 0.000000       0.000000 
1 1 1 -2  0  13 o 61.58783 4.429998 328.9590       46.03693 328.9590       46.03693 328.9590       46.03693 61.58783 4.429998 61.58783 4.429998 0.000000       0.000000 
1 1 1 -2  0  14 o 16.44953 7.876266 33.94855       25.45332 33.94855       25.45332 33.94855       25.45332 16.44953 7.876266 16.44953 7.876266 0.000000       0.000000 
1 1 1 -2  0  15 o 63.43843 4.201673 348.2227       45.05915 348.2227       45.05915 348.2227       45.05915 63.43843 4.201673 63.43843 4.201673 0.000000       0.000000 
1 1 1 -2  0  16 o 382.2635 8.305498 12510.96       541.5860 12510.96       541.5860 12510.96       541.5860 382.2635 8.305498 382.2635 8.305498 0.000000       0.000000 
1 1 1 -2  0  17 f 403.8601 7.732193 13960.91       532.8148 13960.91       532.8148 13960.91       532.8148 403.8601 7.732193 403.8601 7.732193 0.000000       0.000000 
1 1 1 -2  0  18 o 95.63279 5.452975 789.1616       88.38939 789.1616       88.38939 789.1616       88.38939 95.63279 5.452975 95.63279 5.452975 0.000000       0.000000 
1 1 1 -2  0  19 o 284.5501 4.815436 6925.438       233.8384 6925.438       233.8384 6925.438       233.8384 284.5501 4.815436 284.5501 4.815436 0.000000       0.000000 
1 1 1 -2  0  20 o 19.16692 11.11400 38.49352       59.43294 38.49352       59.43294 38.49352       59.43294 19.16692 11.11400 19.16692 11.11400 0.000000       0.000000 
1 1 1 -2  0  21 o 218.7407 5.088456 4098.278       189.8395 4098.278       189.8395 4098.278       189.8395 218.7407 5.088456 218.7407 5.088456 0.000000       0.000000 
1 1 1 -2  0  22 o 326.5568 8.427677 9168.412       469.2609 9168.412       469.2609 9168.412       469.2609 326.5568 8.427677 326.5568 8.427677 0.000000       0.000000 
1 1 1 -2  0  23 o 151.7096 16.82090 2078.574       422.0823 2078.574       422.0823 2078.574       422.0823 151.7096 16.82090 151.7096 16.82090 0.000000       0.000000 
1 1 1 -2  0  24 o 89.14483 6.451142 691.5906       97.02339 691.5906       97.02339 691.5906       97.02339 89.14483 6.451142 89.14483 6.451142 0.000000       0.000000 
1 1 1 -2  0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  26 o 227.7829 6.047770 4456.252       234.8690 4456.252       234.8690 4456.252       234.8690 227.7829 6.047770 227.7829 6.047770 0.000000       0.000000 
1 1 1 -2  0  27 o 21.99582 13.06836 46.96453       85.62688 46.96453       85.62688 46.96453       85.62688 21.99582 13.06836 21.99582 13.06836 0.000000       0.000000 
1 1 1 -2  0  28 o 158.0014 5.639019 2150.554       151.7085 2150.554       151.7085 2150.554       151.7085 158.0014 5.639019 158.0014 5.639019 0.000000       0.000000 
1 1 1 -2  0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  30 o 160.1766 5.602083 2216.117       152.8073 2216.117       152.8073 2216.117       152.8073 160.1766 5.602083 160.1766 5.602083 0.000000       0.000000 
1 1 1 -2  0  31 o 132.4380 5.755746 1521.305       129.6122 1521.305       129.6122 1521.305       129.6122 132.4380 5.755746 132.4380 5.755746 0.000000       0.000000 
1 1 1 -2  0  32 o 14.38029 9.888987 -50.82594      79.45168 -50.82594      79.45168 -50.82594      79.45168 14.38029 9.888987 14.38029 9.888987 0.000000       0.000000 
1 1 1 -2  0  33 o 13.49699 9.439590 -73.39664      80.71099 -73.39664      80.71099 -73.39664      80.71099 13.49699 9.439590 13.49699 9.439590 0.000000       0.000000 
1 1 1 -2  0  34 o 35.51853 13.89290 158.2464       80.57930 158.2464       80.57930 158.2464       80.57930 35.51853 13.89290 35.51853 13.89290 0.000000       0.000000 
1 1 1 -2  1  1  o 163.2809 5.639292 2278.874       157.2396 2281.699       171.8611 2264.360       389.5644 163.3647 6.160520 161.6673 14.25690 1.697403       15.53097 
1 1 1 -2  1  2  o 250.1239 4.658974 5345.752       198.9974 5541.809       281.5690 5150.097       281.2809 254.5801 6.476770 245.4048 6.712052 9.175293       9.327390 
1 1 1 -2  1  3  o 110.0148 3.297292 1033.803       61.94559 979.3024       87.40092 1088.814       87.80907 107.0533 4.780946 112.8846 4.555153 -5.831207      6.603549 
1 1 1 -2  1  4  o 315.8314 4.992362 8524.300       269.2547 8242.889       334.5954 9041.375       453.5517 310.4941 6.310513 325.0333 8.171412 -14.53918      10.32446 
1 1 1 -2  1  5  o 505.8653 6.322193 21879.91       546.1407 21770.94       764.0313 21993.77       780.9663 504.2644 8.872600 506.8147 9.023628 -2.550262      12.65499 
1 1 1 -2  1  6  o 454.2382 6.128572 17642.05       475.3843 17945.03       672.2823 17339.05       672.3077 457.8109 8.599310 449.9929 8.749043 7.818054       12.26759 
1 1 1 -2  1  7  o 250.7845 3.853858 5373.532       165.0434 5160.385       233.3507 5586.884       233.4627 245.6725 5.562250 255.6366 5.348015 -9.964005      7.716209 
1 1 1 -2  1  8  o 420.2291 5.373102 15103.06       385.5788 15607.48       545.3202 14598.76       545.2614 426.8569 7.481133 412.7868 7.735297 14.07010       10.76114 
1 1 1 -2  1  9  o 173.5481 3.316372 2573.650       98.28451 2498.215       138.8786 2649.339       139.1123 170.9155 4.758301 176.0167 4.628174 -5.101242      6.637878 
1 1 1 -2  1  10 o 310.9235 4.908321 8267.353       260.6084 8147.008       368.5339 8387.726       368.5781 308.4005 6.997783 312.9377 6.897149 -4.537292      9.825459 
1 1 1 -2  1  11 o 179.6378 3.522289 2756.951       108.0500 2920.808       155.0210 2602.137       150.6828 184.8465 4.911082 174.4655 5.057693 10.38106       7.049750 
1 1 1 -2  1  12 o 114.7875 3.021398 1125.385       59.22491 1062.008       83.47798 1189.616       84.03817 111.4886 4.384698 118.0005 4.170525 -6.511955      6.051352 
1 1 1 -2  1  13 o 107.4410 2.718703 985.8505       49.88085 976.9401       70.83380 994.6157       70.25412 106.9418 3.878744 107.9057 3.812636 -0.9639435     5.438828 
1 1 1 -2  1  14 o 104.9950 2.973782 941.5251       53.31872 983.0668       74.35674 897.5577       76.49692 107.2732 4.059076 102.4974 4.370482 4.775841       5.964664 
1 1 1 -2  1  15 f 208.7943 4.160786 3724.516       148.3528 3645.117       214.8617 3796.853       205.0847 206.4858 6.093501 210.7567 5.698361 -4.270905      8.342786 
1 1 1 -2  1  16 o 84.82537 3.009338 614.5788       43.59118 618.0548       59.10838 610.4340       64.54413 85.05240 4.069683 84.40085 4.494439 0.6515503      6.063192 
1 1 1 -2  1  17 o 307.7091 4.077060 8090.853       214.2344 8074.638       303.0938 8107.041       302.8528 307.2789 5.776204 307.8961 5.760038 -0.6172791     8.157363 
1 1 1 -2  1  18 o 185.1741 3.113091 2929.473       98.44054 3042.192       139.5394 2817.792       138.8948 188.6507 4.331480 181.5526 4.480038 7.098190       6.231569 
1 1 1 -2  1  19 o 33.21452 7.217788 98.23705       39.76912 124.7664       54.76466 68.63857       57.84578 37.37259 8.737571 29.20620 9.816580 8.166397       13.14193 
1 1 1 -2  1  20 f 308.8360 4.226320 8158.331       222.8909 8226.545       314.8928 8089.838       315.5387 309.8535 5.951198 307.2567 6.013804 2.596771       8.460650 
1 1 1 -2  1  21 o 136.6223 4.433598 1597.494       103.4379 1571.690       128.0083 1646.044       175.5848 135.4253 5.535239 138.1864 7.468531 -2.761047      9.296119 
1 1 1 -2  1  22 f 170.8203 5.135355 2500.705       149.8000 2345.335       211.1730 2658.081       212.5319 165.0842 7.490847 175.8205 7.078686 -10.73633      10.30634 
1 1 1 -2  1  23 o 75.96456 4.621614 496.2262       59.66741 374.1879       85.39664 612.6345       83.40357 65.43000 7.796485 84.27638 5.831157 -18.84638      9.735891 
1 1 1 -2  1  24 o 91.80260 6.027763 727.3410       93.97092 710.7628       99.75007 858.1042       280.1472 90.66915 6.485276 96.28759 17.68970 -5.618439      18.84103 
1 1 1 -2  1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  1  26 o 96.43549 4.577239 797.5267       75.37761 773.7714       109.1817 819.1609       104.1933 94.50071 6.811368 97.34657 6.301636 -2.845856      9.279297 
1 1 1 -2  1  27 o 169.1115 3.964762 2451.279       114.4965 2533.822       163.6069 2372.049       160.2890 171.6110 5.582834 166.0262 5.653602 5.584763       7.945518 
1 1 1 -2  1  28 o 147.3048 4.031648 1862.558       101.4148 1874.182       143.1164 1850.835       143.7300 147.3784 5.686613 146.4411 5.747549 0.9373474      8.085287 
1 1 1 -2  1  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  1  30 f 26.50503 9.408751 55.71035       53.43062 95.67937       70.35397 1.241132       82.13012 32.91741 10.81882 24.82797 10.69187 8.089439       15.21062 
1 1 1 -2  1  31 o 40.06571 8.496420 148.0961       56.32866 189.7419       83.16045 112.7907       76.56868 44.66120 10.98090 35.07957 11.26922 9.581631       15.73453 
1 1 1 -2  1  32 o 53.01758 6.491670 251.2305       57.54520 244.4243       81.44729 258.0146       81.31528 50.95636 9.714614 52.52844 9.410809 -1.572075      13.52542 
1 1 1 -2  1  33 o 55.03546 6.704730 273.0652       61.71007 354.8594       91.10016 203.7097       83.88773 61.69685 8.904530 45.52617 10.92884 16.17069       14.09717 
1 1 1 -2  1  34 o 78.41130 5.722707 546.6303       76.09790 540.2312       107.0058 553.1782       108.2422 76.29274 8.349676 77.21416 8.341692 -0.9214172     11.80258 
1 1 1 -2  2  1  o 352.1106 5.045131 10595.28       303.3566 10283.13       428.9984 10907.47       429.0236 346.7229 7.245547 357.1120 7.035173 -10.38910      10.09909 
1 1 1 -2  2  2  o 463.9835 7.372100 18415.96       584.1114 17958.85       1011.968 18644.34       715.2966 457.2914 12.95901 466.6400 8.976401 -9.348511      15.76425 
1 1 1 -2  2  3  o 219.5451 4.067605 4117.835       152.4981 3983.320       189.5986 4364.312       256.6467 215.8924 5.142755 225.9116 6.652658 -10.01921      8.408673 
1 1 1 -2  2  4  o 659.8797 12.22293 37372.46       1377.343 36795.02       1906.403 38003.02       1992.138 653.1514 17.09224 663.5933 17.57986 -10.44196      24.51930 
1 1 1 -2  2  5  o 146.5939 3.476089 1835.667       87.01794 1791.031       106.5192 1925.219       150.8770 144.7837 4.308305 150.0658 5.887615 -5.282120      7.295581 
1 1 1 -2  2  6  o 399.4411 5.163707 13638.10       352.2218 13862.53       498.0888 13413.62       498.1449 402.5003 7.246672 395.9153 7.368033 6.585083       10.33451 
1 1 1 -2  2  7  o 421.2717 5.776551 15178.50       415.5591 15408.66       587.6812 14948.32       587.6974 424.1061 8.114567 417.7015 8.239216 6.404602       11.56421 
1 1 1 -2  2  8  o 141.8386 2.623754 1718.537       63.55057 1715.993       90.03692 1721.063       89.71210 141.7009 3.720885 141.9107 3.701980 -0.2098236     5.248775 
1 1 1 -2  2  9  o 105.1208 3.453337 944.3124       61.99110 942.0837       87.46639 946.5619       87.87231 104.9525 4.880301 105.2012 4.891358 -0.2487411     6.909611 
1 1 1 -2  2  10 o 375.2183 5.025651 12039.21       322.0165 11989.85       450.4062 12090.81       460.5640 374.1745 7.049012 375.7260 7.178222 -1.551453      10.06059 
1 1 1 -2  2  11 o 140.3150 2.599743 1681.539       62.29259 1686.424       88.29701 1676.699       87.89442 140.4980 3.680222 140.0924 3.674047 0.4055481      5.200255 
1 1 1 -2  2  12 o 265.2365 4.224423 6010.273       191.3386 6109.861       270.5999 5910.695       270.5874 267.3488 5.927174 262.9501 6.026045 4.398682       8.452491 
1 1 1 -2  2  13 f 514.5489 6.817832 22638.33       599.0663 22989.15       847.2540 22287.58       847.1613 518.1617 9.575167 510.1716 9.724066 7.990112       13.64702 
1 1 1 -2  2  14 o 308.4187 4.789757 8127.896       252.2645 7940.275       356.4601 8316.140       357.0524 304.7192 6.850294 311.8580 6.704604 -7.138794      9.585314 
1 1 1 -2  2  15 o 366.7700 4.970257 11495.86       311.2968 11273.52       439.7588 11719.17       440.7231 363.0405 7.093451 370.1579 6.972313 -7.117401      9.946365 
1 1 1 -2  2  16 o 222.7198 3.859053 4237.906       146.7714 4009.398       208.0976 4464.095       207.0387 216.5585 5.627168 228.5248 5.305376 -11.96628      7.733824 
1 1 1 -2  2  17 o 284.4126 4.471801 6913.583       217.1867 7005.949       306.9936 6821.032       307.3035 286.1672 6.282138 282.3572 6.373333 3.809998       8.949002 
1 1 1 -2  2  18 o 240.4939 3.613488 4942.465       148.3996 4962.785       209.5096 4922.005       210.2297 240.8884 5.093145 239.8937 5.131844 0.9947510      7.230211 
1 1 1 -2  2  19 o 340.4784 4.976462 9918.148       289.3425 10308.91       409.5734 9528.837       408.8118 346.7943 6.916046 333.3644 7.181287 13.42987       9.970084 
1 1 1 -2  2  20 o 107.4800 4.907310 988.8057       90.06850 551.2324       229.4653 1068.500       97.92762 77.62931 17.70228 111.7142 5.133280 -34.08488      18.43153 
1 1 1 -2  2  21 o 75.91983 4.355836 494.8969       56.23516 430.9782       78.89452 560.9122       80.17809 70.54978 6.626253 80.67087 5.860204 -10.12109      8.845859 
1 1 1 -2  2  22 o 78.38473 4.707489 528.1710       62.71992 522.3334       87.18117 534.4337       90.29974 77.68899 6.635079 78.56464 6.797633 -0.8756561     9.499058 
1 1 1 -2  2  23 o 76.35475 4.286561 500.8482       55.66560 498.0027       76.85297 503.9885       80.73665 75.91811 5.976394 76.33465 6.248410 -0.4165344     8.646381 
1 1 1 -2  2  24 o 119.2068 3.722330 1216.383       75.77357 1215.123       105.9728 1217.702       108.3880 119.0006 5.214868 119.1138 5.328649 -0.1132278     7.455826 
1 1 1 -2  2  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  2  26 o 114.4906 7.953448 1139.407       154.5339 1139.407       154.5339 0.000000       0.000000 114.4906 7.953448 ?        ?        0.000000       7.953448 
1 1 1 -2  2  27 o 362.0164 5.424137 11273.78       335.3210 11102.42       474.3898 11444.89       474.0414 357.8627 7.762774 363.4276 7.638296 -5.564880      10.89056 
1 1 1 -2  2  28 o 104.1400 4.442923 932.2078       79.01117 943.9003       110.6596 920.0479       112.8499 104.2739 6.243292 102.8847 6.455871 1.389175       8.980923 
1 1 1 -2  2  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  2  30 o 61.37201 6.094486 330.9221       63.02713 294.5312       87.83932 369.5401       90.48729 56.77854 9.387525 64.09220 8.475529 -7.313663      12.64754 
1 1 1 -2  2  31 o 111.5448 4.163988 1074.085       79.31599 986.2488       114.0627 1156.323       110.3681 105.9557 6.333011 115.2251 5.609118 -9.269363      8.459860 
1 1 1 -2  2  32 o 42.85558 8.145859 169.8592       57.43457 149.8386       75.72688 196.9722       88.12517 39.37096 10.89457 44.88252 11.45850 -5.511562      15.81104 
1 1 1 -2  2  33 o 108.2107 4.775678 1021.753       88.24849 1006.093       126.9640 1036.390       122.7472 105.8348 7.065670 107.6832 6.708484 -1.848358      9.743072 
1 1 1 -2  2  34 o 23.36453 9.933805 15.35388       69.26531 20.68036       100.8651 10.60046       95.28484 27.36592 11.81658 26.11902 11.38069 1.246895       16.40584 
1 1 1 -2  3  1  o 354.8021 4.522672 10756.02       274.0206 10793.65       387.5311 10718.39       387.5162 355.2972 6.387233 354.0547 6.409404 1.242584       9.048603 
1 1 1 -2  3  2  o 172.9296 2.793124 2554.041       82.48241 2724.156       116.7386 2384.455       116.5571 178.5746 3.828184 167.0640 4.085582 11.51057       5.598837 
1 1 1 -2  3  3  o 179.8780 3.460493 2763.843       106.2963 2887.052       150.3530 2640.724       150.2982 183.8078 4.790118 175.7850 5.006916 8.022812       6.929245 
1 1 1 -2  3  4  o 43.90601 3.134714 165.4968       23.34854 174.9434       32.95664 155.9774       33.08335 45.04079 4.338506 42.47161 4.636851 2.569172       6.350041 
1 1 1 -2  3  5  o 236.3912 5.272327 4776.928       212.8313 5000.794       260.5538 4328.056       368.9470 241.8050 6.310012 224.7018 9.615139 17.10327       11.50075 
1 1 1 -2  3  6  o 206.4584 3.915003 3642.286       138.0278 3671.663       169.0084 3583.448       239.1856 207.2501 4.775420 204.6208 6.845156 2.629288       8.346304 
1 1 1 -2  3  7  o 167.9225 3.394180 2409.410       97.32980 2466.584       120.9717 2304.469       163.8927 169.8713 4.170250 164.1057 5.848360 5.765549       7.182917 
1 1 1 -2  3  8  o 596.2814 7.747245 30489.78       788.8610 31286.67       1128.439 29728.10       1103.224 602.7197 10.96379 587.5004 10.99648 15.21930       15.52828 
1 1 1 -2  3  9  o 240.4831 3.528710 4941.879       144.9114 5106.816       204.9623 4777.028       204.9090 244.3708 4.911595 236.3360 5.077258 8.034821       7.064157 
1 1 1 -2  3  10 o 92.72568 3.110356 734.4799       49.25066 795.3625       69.65731 673.6195       69.64460 96.47272 4.228246 88.65540 4.616197 7.817329       6.259979 
1 1 1 -2  3  11 o 305.8121 4.625418 7991.385       241.5503 8040.287       341.5695 7942.464       341.6379 306.6274 6.523283 304.7534 6.564710 1.874023       9.254655 
1 1 1 -2  3  12 o 715.6693 9.721285 43859.59       1188.059 44339.52       1680.185 43379.69       1680.153 718.5441 13.69310 710.6788 13.84438 7.865295       19.47223 
1 1 1 -2  3  13 f 243.5811 4.136858 5068.646       172.0744 5027.528       242.9369 5110.045       243.7651 242.5255 5.865893 244.5089 5.838146 -1.983444      8.276030 
1 1 1 -2  3  14 o 605.7678 7.116108 31385.30       736.1235 30804.18       1040.854 31966.83       1041.218 599.6013 10.16542 610.8499 9.981717 -11.24866      14.24677 
1 1 1 -2  3  15 o 148.7415 2.570481 1889.485       65.29028 1808.864       92.08677 1970.979       92.58403 145.5143 3.705865 151.8979 3.569295 -6.383606      5.145221 
1 1 1 -2  3  16 o 466.4920 5.774474 18607.39       460.0008 18933.33       650.6195 18281.62       650.4592 470.2325 8.102379 462.0455 8.243914 8.187012       11.55901 
1 1 1 -2  3  17 o 225.1961 3.822629 4333.520       147.0026 4202.804       205.2549 4471.179       210.6356 221.6841 5.421969 228.6544 5.394489 -6.970261      7.648415 
1 1 1 -2  3  18 o 316.8804 5.862975 8594.019       317.2600 8530.018       397.5729 8706.228       526.4257 315.4792 7.379791 318.2889 9.685311 -2.809723      12.17648 
1 1 1 -2  3  19 o 156.4641 5.545649 2095.958       148.1729 1873.042       380.3187 2135.850       160.8856 145.7956 15.51405 157.9122 5.966221 -12.11661      16.62172 
1 1 1 -2  3  20 f 274.4803 3.835253 6443.147       179.7658 6099.247       254.0818 6787.836       254.3729 266.8141 5.576515 281.5207 5.291254 -14.70663      7.687320 
1 1 1 -2  3  21 f 56.02577 3.942154 269.8631       37.47544 206.9505       53.48840 330.5215       52.52140 48.65782 6.608282 61.91729 5.010270 -13.25947      8.292900 
1 1 1 -2  3  22 o 102.8003 3.695034 904.1652       64.86563 811.7082       87.09634 1019.320       97.20095 97.15900 5.269166 109.0397 5.220161 -11.88071      7.417155 
1 1 1 -2  3  23 o 49.93615 5.782582 216.9316       48.39801 266.3520       68.16726 166.6971       68.72639 55.11269 7.432634 43.02800 9.597552 12.08469       12.13907 
1 1 1 -2  3  24 o 194.5030 14.95988 3381.859       493.0750 3436.725       826.2562 3351.514       614.4839 187.5912 26.53315 190.9878 19.09694 -3.396545      32.69099 
1 1 1 -2  3  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  3  26 o 334.5503 5.172652 9611.512       295.5130 9327.347       417.0207 9898.138       418.8221 328.5665 7.432456 338.5703 7.244006 -10.00381      10.37868 
1 1 1 -2  3  27 o 54.41073 11.66696 271.2431       105.1500 271.2431       105.1500 0.000000       0.000000 54.41073 11.66696 ?        ?        0.000000       11.66696 
1 1 1 -2  3  28 o 89.36813 4.614901 688.9658       70.18790 535.4996       95.59368 868.4675       103.3849 78.14033 7.246389 100.0092 6.082511 -21.86886      9.460819 
1 1 1 -2  3  29 o 68.33881 5.277935 405.9925       61.11599 457.5745       80.18346 334.4812       94.41106 72.23611 6.572113 60.78333 9.398974 11.45277       11.46880 
1 1 1 -2  3  30 o 115.8520 4.156717 1156.838       82.23487 1185.219       111.2854 1122.699       122.0545 116.8265 5.578212 113.2641 6.335845 3.562363       8.441527 
1 1 1 -2  3  31 o 68.96726 5.992019 418.6815       69.86832 379.0506       96.41764 462.5028       101.3870 64.39569 9.015059 71.49153 8.469393 -7.095840      12.36939 
1 1 1 -2  3  32 o 55.83871 7.285012 282.1211       67.81013 264.7415       101.1730 296.2960       91.37043 51.92586 11.69139 55.98518 9.920356 -4.059326      15.33304 
1 1 1 -2  3  33 o 40.85419 9.252264 159.6214       63.04974 107.1393       88.81134 212.9498       89.52453 34.07594 12.12665 46.25552 11.40572 -12.17958      16.64771 
1 1 1 -2  3  34 o 38.91282 10.56467 151.3570       72.00719 245.1087       104.5014 66.60333       99.36009 48.39900 12.54172 30.49426 12.32588 17.90474       17.58471 
1 1 1 -2  4  1  o 97.47867 2.667249 811.5590       44.39920 752.2621       62.90096 870.4390       62.67952 93.83374 3.925512 100.9400 3.636306 -7.106277      5.350922 
1 1 1 -2  4  2  o 190.1891 3.463485 3090.049       112.4866 3064.048       159.0626 3116.062       159.0977 189.3380 4.919585 190.9399 4.879386 -1.601883      6.928977 
1 1 1 -2  4  3  o 328.4717 4.324842 9220.084       242.5885 9043.361       343.0987 9396.752       343.0452 325.1656 6.178919 331.4688 6.060476 -6.303253      8.654964 
1 1 1 -2  4  4  o 145.3499 2.547459 1804.440       63.23012 1840.862       89.51443 1768.171       89.32765 146.7865 3.571124 143.8576 3.636230 2.928986       5.096576 
1 1 1 -2  4  5  o 131.2890 2.864530 1472.429       64.22196 1518.036       90.86784 1426.912       90.77937 133.2770 3.992576 129.2112 4.114196 4.065735       5.732998 
1 1 1 -2  4  6  o 139.3168 3.464834 1658.561       82.43050 1612.509       101.5652 1747.439       141.0970 137.3378 4.330651 142.8976 5.782171 -5.559830      7.224129 
1 1 1 -2  4  7  o 439.3585 8.204244 16561.03       615.5446 16838.96       870.6867 16283.31       870.3365 442.0009 11.53551 434.5786 11.72781 7.422302       16.45021 
1 1 1 -2  4  8  o 131.0393 4.634702 1468.165       103.7111 1451.608       147.1247 1484.519       146.2189 130.0348 6.647802 131.6792 6.502560 -1.644348      9.299277 
1 1 1 -2  4  9  o 101.0644 2.683912 872.4225       46.31998 821.3657       64.62871 926.3501       66.42075 98.04342 3.860158 104.1234 3.735543 -6.079933      5.371694 
1 1 1 -2  4  10 o 154.5206 3.346756 2039.533       88.31051 2146.925       124.7850 1931.780       124.9951 158.5060 4.610144 150.3474 4.868500 8.158615       6.704903 
1 1 1 -2  4  11 o 351.5188 4.905318 10558.47       294.4542 10615.49       416.3882 10501.44       416.4540 352.3334 6.920582 350.4325 6.959222 1.900909       9.814542 
1 1 1 -2  4  12 o 155.8377 3.495757 2074.345       93.02844 2218.595       131.4160 1929.452       131.7087 161.1388 4.775800 150.2638 5.132844 10.87500       7.011017 
1 1 1 -2  4  13 o 408.2013 5.676080 14242.28       395.6624 14346.05       559.3486 14138.35       559.7540 409.4727 7.999369 406.4908 8.063889 2.981873       11.35853 
1 1 1 -2  4  14 o 563.5650 6.372032 27157.35       613.2307 27290.99       867.0087 27023.57       867.4699 564.5458 8.993367 561.7642 9.042706 2.781555       12.75348 
1 1 1 -2  4  15 o 384.0363 4.420743 12602.50       289.9142 12653.20       409.4183 12551.52       410.5855 384.6592 6.232886 383.1063 6.275992 1.552887       8.845165 
1 1 1 -2  4  16 o 201.7937 3.047861 3478.423       105.0279 3336.270       147.8013 3623.422       149.2734 197.5800 4.380599 205.9131 4.245182 -8.333160      6.100100 
1 1 1 -2  4  17 o 112.7603 6.211329 1091.495       119.1419 1045.245       132.5298 1286.340       272.0224 110.2481 7.076865 121.3720 13.34492 -11.12394      15.10526 
1 1 1 -2  4  18 o 188.0978 3.560075 3023.882       114.3523 2964.167       161.7802 3083.507       161.6569 186.1362 5.089706 189.8539 4.986237 -3.717667      7.125143 
1 1 1 -2  4  19 o 295.7686 4.639822 7484.985       234.3448 7446.153       331.2561 7523.891       331.5713 294.6865 6.582664 296.2261 6.554683 -1.539581      9.289528 
1 1 1 -2  4  20 o 243.7606 4.056514 5083.234       168.8567 5238.926       238.9694 4927.983       238.6300 247.2391 5.660089 239.7625 5.828298 7.476532       8.124387 
1 1 1 -2  4  21 o 158.8360 3.145071 2157.032       85.30633 2078.442       119.7568 2237.988       121.5458 155.8054 4.501071 161.6845 4.402199 -5.879135      6.295951 
1 1 1 -2  4  22 o 117.6893 3.358124 1184.717       67.48940 1188.316       95.09653 1181.064       95.79617 117.7657 4.728724 117.4015 4.778293 0.3642349      6.722567 
1 1 1 -2  4  23 o 112.8076 3.360133 1088.697       64.72868 1168.507       94.97911 1019.483       88.44962 116.7529 4.763854 109.0554 4.749487 7.697487       6.726955 
1 1 1 -2  4  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  4  25 o 66.25880 5.499998 379.6695       61.66863 410.8232       79.15640 331.5607       98.36559 68.71427 6.836627 61.01736 9.769989 7.696915       11.92443 
1 1 1 -2  4  26 o 168.3715 3.865051 2428.690       111.1286 2503.425       156.2821 2352.253       158.0520 170.6773 5.362058 165.3963 5.595930 5.281067       7.750232 
1 1 1 -2  4  27 o 25.15042 9.227787 44.99960       51.91369 15.88794       70.47530 79.53568       76.76086 24.62376 10.21364 31.83803 11.27996 -7.214275      15.21697 
1 1 1 -2  4  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  4  29 o 29.61380 10.38305 71.49675       64.90160 66.62906       75.62988 85.09650       126.4145 29.98822 11.11414 35.98153 14.11248 -5.993315      17.96347 
1 1 1 -2  4  30 o 71.08014 5.725343 442.2523       68.90549 466.4242       101.0765 421.2652       94.18253 72.03664 8.372834 68.48234 8.217705 3.554298       11.73180 
1 1 1 -2  4  31 o 66.43610 6.085320 389.6947       68.27112 370.6633       100.5362 405.9809       93.00311 63.28021 9.605419 66.89874 8.320771 -3.618530      12.70824 
1 1 1 -2  4  32 o 47.48645 8.150489 208.5685       63.71267 256.2133       91.26604 163.2766       88.98395 51.45243 10.73450 40.60318 11.99940 10.84925       16.10015 
1 1 1 -2  4  33 o 36.33625 10.26133 128.7536       66.46959 40.21340       92.66350 222.6019       95.40064 28.19214 11.70416 46.95561 11.88655 -18.76347      16.68164 
1 1 1 -2  4  34 f 42.32307 9.775107 176.0606       69.22308 251.5823       97.39802 98.97371       98.40215 49.53929 11.70000 33.12140 12.59117 16.41789       17.18801 
1 1 1 -2  5  1  o 272.2054 4.084846 6333.103       189.8779 6254.250       268.5522 6411.928       268.5035 270.3613 5.816776 273.7553 5.743617 -3.394073      8.174596 
1 1 1 -2  5  2  o 323.5779 4.971675 8954.014       274.7158 8926.244       388.6144 8981.752       388.3992 322.8177 7.049520 323.8237 7.023731 -1.005951      9.951308 
1 1 1 -2  5  3  o 105.2593 2.350294 946.3524       42.24590 1039.907       60.02276 854.5109       59.47051 110.3226 3.186029 99.99934 3.482592 10.32322       4.720088 
1 1 1 -2  5  4  o 293.5337 4.424546 7366.791       221.7831 7196.021       313.7708 7537.295       313.5268 289.9043 6.338054 296.7185 6.187684 -6.814209      8.857673 
1 1 1 -2  5  5  o 148.4416 3.390818 1882.947       85.95320 1803.635       121.6911 1961.907       121.4217 145.2168 4.907269 151.4653 4.694412 -6.248535      6.791082 
1 1 1 -2  5  6  o 357.6689 5.016198 10941.48       306.3781 11344.77       433.3456 10538.43       433.2226 363.9113 6.973277 350.6963 7.233992 13.21509       10.04775 
1 1 1 -2  5  7  o 252.1643 5.998897 5440.673       258.3193 5320.721       365.5873 5560.273       365.0507 249.0938 8.594613 254.6647 8.394260 -5.570923      12.01378 
1 1 1 -2  5  8  o 320.5094 6.377275 8787.644       349.0421 8526.218       493.6116 9049.087       493.6286 315.3895 9.165078 324.9528 8.895658 -9.563293      12.77229 
1 1 1 -2  5  9  o 226.2328 4.586555 4373.398       177.1920 4321.221       250.5524 4425.605       250.6223 224.7902 6.527086 227.4931 6.451334 -2.702972      9.177285 
1 1 1 -2  5  10 o 320.8513 5.989936 8799.762       328.1919 8234.684       463.4757 9368.059       464.7941 310.1798 8.750070 330.8839 8.225891 -20.70413      12.00954 
1 1 1 -2  5  11 o 72.04751 2.883529 443.3240       35.47687 422.8388       47.52270 469.1121       53.31999 70.24262 3.978194 73.98119 4.238175 -3.738571      5.812757 
1 1 1 -2  5  12 o 272.3006 4.347061 6334.844       202.1372 6768.419       285.5222 5899.180       286.2094 281.3899 5.941957 262.6773 6.380569 18.71259       8.718860 
1 1 1 -2  5  13 o 168.8406 3.179505 2434.889       91.67236 2589.260       129.4703 2279.686       129.8190 174.0837 4.355221 163.3380 4.654243 10.74568       6.374161 
1 1 1 -2  5  14 o 233.8395 3.343142 4670.852       133.4979 4552.675       188.6039 4789.508       188.9859 230.8098 4.785138 236.7419 4.674683 -5.932129      6.689559 
1 1 1 -2  5  15 o 186.1274 3.647099 2959.747       115.9204 2890.357       144.0661 3087.171       195.2273 183.9004 4.587511 189.9933 6.017284 -6.092850      7.566568 
1 1 1 -2  5  16 o 98.24871 6.278713 829.3830       104.7909 1255.311       249.6778 738.3127       115.4517 120.1151 12.34835 92.55621 7.365479 27.55888       14.37818 
1 1 1 -2  5  17 o 179.7370 2.933718 2760.014       90.04464 2709.295       127.2438 2810.890       127.4411 178.0218 4.185637 181.3326 4.115585 -3.310837      5.870060 
1 1 1 -2  5  18 o 134.8481 3.271458 1554.089       75.33349 1573.502       105.3653 1533.787       107.7500 135.6273 4.549342 133.8958 4.712467 1.731522       6.550104 
1 1 1 -2  5  19 o 147.9972 3.173111 1872.228       80.19376 1897.816       113.6211 1846.828       113.2023 148.9243 4.467776 146.9069 4.512439 2.017426       6.350049 
1 1 1 -2  5  20 o 162.0134 3.619976 2244.900       100.1517 2263.097       138.7053 2225.081       144.7606 162.5462 4.997056 161.1476 5.260473 1.398651       7.255559 
1 1 1 -2  5  21 o 126.3673 3.335774 1365.701       71.98357 1424.859       102.6135 1308.382       101.0058 128.9746 4.659064 123.5796 4.786273 5.394958       6.679468 
1 1 1 -2  5  22 o 128.9826 3.415444 1423.221       75.22812 1444.344       105.4483 1401.327       107.3546 129.8187 4.756641 127.8545 4.917028 1.964157       6.841258 
1 1 1 -2  5  23 o 55.77559 15.33847 285.9649       150.6469 319.3514       238.1156 263.6829       194.5269 59.89564 19.91403 54.69269 17.99045 5.202950       26.83700 
1 1 1 -2  5  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  5  25 o 51.55685 6.388745 232.3182       55.04280 154.8775       72.82647 335.4950       84.06126 41.33002 10.34333 61.73507 8.174805 -20.40504      13.18378 
1 1 1 -2  5  26 o 48.93616 6.578288 210.2630       53.58006 191.4893       66.30228 245.6007       90.96467 46.19797 8.724111 52.02192 10.59944 -5.823956      13.72801 
1 1 1 -2  5  27 o 73.46378 4.763856 466.1594       59.44091 460.5757       77.49189 474.1408       92.64835 72.70798 6.303638 73.48325 7.487870 -0.7752609     9.787954 
1 1 1 -2  5  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  5  29 o 42.20247 8.983034 163.7907       62.75186 260.8942       88.15698 64.05460       89.34400 53.15378 10.08114 30.93503 11.93850 22.21875       15.62553 
1 1 1 -2  5  30 o 100.0485 9.875191 912.9653       166.5154 0.000000       0.000000 912.9653       166.5154 ?        ?        100.0485 9.875191 0.000000       9.875191 
1 1 1 -2  5  31 o 76.98795 5.417760 519.8752       70.77292 501.2362       103.9637 535.9725       96.61575 74.26623 8.341928 77.30363 7.409689 -3.037407      11.15757 
1 1 1 -2  5  32 o 87.22750 5.267085 668.7502       78.08790 754.4963       111.4753 586.1378       109.4194 91.57297 7.186390 80.08864 8.112501 11.48433       10.83775 
1 1 1 -2  5  33 o 49.95562 8.197969 233.1584       67.50806 219.6801       100.0987 244.4034       91.43069 46.13784 12.42683 49.53590 11.08541 -3.398060      16.65270 
1 1 1 -2  6  1  o 381.9099 5.373363 12477.96       350.4362 12412.50       495.6797 12543.37       495.5037 380.5294 7.628006 382.5386 7.585245 -2.009247      10.75743 
1 1 1 -2  6  2  o 202.3685 3.599647 3499.755       124.3955 3610.178       175.9863 3389.492       175.8574 205.4517 5.016112 199.0624 5.173321 6.389282       7.205875 
1 1 1 -2  6  3  o 111.4956 3.059726 1062.062       58.25619 1003.149       83.47015 1118.011       81.34435 108.3207 4.512508 114.3652 4.165159 -6.044525      6.140951 
1 1 1 -2  6  4  o 549.0109 8.166355 25839.17       765.6163 24787.76       1094.693 26845.89       1071.180 536.4997 11.94871 558.6072 11.22933 -22.10748      16.39724 
1 1 1 -2  6  5  o 126.6090 3.310024 1369.486       71.56451 1270.161       101.6242 1467.198       100.7959 121.8891 4.882366 131.0150 4.505259 -9.125946      6.643407 
1 1 1 -2  6  6  o 197.5252 3.910542 3333.664       131.9050 3072.765       186.6292 3594.076       186.4547 189.5603 5.765410 205.0336 5.325329 -15.47327      7.848508 
1 1 1 -2  6  7  o 534.8681 11.30032 24546.51       1032.142 24728.65       1430.997 24349.00       1490.136 535.6523 15.64421 531.2715 16.42508 4.380737       22.68313 
1 1 1 -2  6  8  o 647.2139 11.68569 35927.18       1291.529 35127.13       1826.593 36727.05       1826.403 638.4553 16.75364 652.9656 16.37964 -14.51031      23.43026 
1 1 1 -2  6  9  o 385.2361 7.850773 12695.51       516.4655 12569.93       730.4683 12821.04       730.3168 382.9543 11.16998 386.7755 11.05733 -3.821106      15.71729 
1 1 1 -2  6  10 f 373.9650 6.436379 11956.23       411.0310 11980.53       581.0622 11931.88       581.5092 374.1047 9.095521 373.3416 9.121123 0.7631226      12.88113 
1 1 1 -2  6  11 o 189.4534 4.425890 3066.595       143.1875 2956.020       203.3438 3175.350       201.6620 185.9410 6.404038 192.7267 6.127458 -6.785736      8.863264 
1 1 1 -2  6  12 o 207.0735 4.877582 3664.241       172.4769 3558.461       247.7551 3763.715       240.2561 203.9666 7.113144 209.7873 6.706457 -5.820694      9.776164 
1 1 1 -2  6  13 o 100.6562 4.939047 865.8915       84.89565 895.8224       126.2089 841.1570       114.7313 102.0659 7.289093 98.93079 6.833117 3.135071       9.991114 
1 1 1 -2  6  14 o 68.90188 7.994582 411.9354       92.31702 334.0953       106.1015 654.4822       187.2913 61.55924 10.46790 86.26138 13.12872 -24.70214      16.79107 
1 1 1 -2  6  15 o 427.5236 5.860480 15635.52       427.8536 15596.38       718.8430 15656.99       532.4347 426.2490 9.875720 427.5959 7.291734 -1.346954      12.27596 
1 1 1 -2  6  16 o 264.3236 3.528986 5970.501       159.2897 6056.899       225.0733 5883.802       225.4666 266.1202 4.952724 262.2828 5.033968 3.837433       7.061892 
1 1 1 -2  6  17 o 244.0069 3.909819 5090.206       162.9149 5125.282       230.3333 5055.091       230.4597 244.6908 5.512354 243.0048 5.553645 1.685974       7.824897 
1 1 1 -2  6  18 o 295.4761 4.133497 7467.707       208.5653 7678.024       295.4741 7258.858       294.4402 299.3547 5.780048 291.0432 5.924309 8.311432       8.276859 
1 1 1 -2  6  19 f 147.9899 3.413870 1872.627       86.27424 2048.017       121.3023 1693.084       122.7306 154.6766 4.592430 140.5932 5.111950 14.08340       6.871859 
1 1 1 -2  6  20 f 232.3808 3.726065 4619.756       147.8606 4572.014       209.0484 4667.552       209.1648 230.9467 5.300698 233.3561 5.248889 -2.409424      7.459775 
1 1 1 -2  6  21 o 218.0424 3.609255 4067.756       134.3880 4111.936       189.3798 4022.942       190.7341 219.0035 5.063847 216.6043 5.156549 2.399170       7.227209 
1 1 1 -2  6  22 o 88.26253 3.425789 666.5353       51.63438 755.6198       73.85886 581.3768       72.21303 93.89754 4.606239 82.16265 5.173238 11.73489       6.926747 
1 1 1 -2  6  23 o 113.5628 21.55526 1228.198       402.7247 1253.659       491.7036 1176.310       701.9326 112.2357 26.14148 104.8455 34.15918 7.390167       43.01426 
1 1 1 -2  6  24 o 24.21327 7.953394 48.60106       38.02397 173.6491       54.12531 -73.25238      53.42948 44.27402 7.421608 15.20021 7.271045 29.07381       10.38982 
1 1 1 -2  6  25 o 46.26208 5.670925 186.7402       43.86219 209.9791       63.06227 164.9622       61.04778 48.66620 7.855775 42.86088 8.639185 5.805325       11.67684 
1 1 1 -2  6  26 o 88.89952 3.778128 677.5319       57.35589 729.2130       81.16899 625.9919       81.05808 91.91978 5.192300 85.06429 5.611692 6.855484       7.645330 
1 1 1 -2  6  27 o 101.1111 4.461972 879.4426       77.04199 786.0312       104.0526 992.7911       114.6200 94.99802 6.452363 106.8560 6.309433 -11.85796      9.024518 
1 1 1 -2  6  28 o 36.52234 9.585811 122.9103       60.53990 122.6851       85.01659 123.1420       86.22899 36.93128 11.87574 37.02788 11.96571 -0.9659958E-01 16.85857 
1 1 1 -2  6  29 o 128.1310 4.204124 1415.549       91.98812 1376.046       131.6594 1453.223       128.5771 125.6418 6.136430 129.2479 5.825566 -3.606178      8.461265 
1 1 1 -2  6  30 o 30.25206 10.19062 80.25877       62.33932 165.0521       82.59864 -31.96351      95.02361 41.49386 11.33569 24.24139 10.91474 17.25247       15.73624 
1 1 1 -2  6  31 o 70.08768 8.329344 449.0449       97.73879 343.1583       127.7755 598.3752       151.7404 58.38439 13.13391 78.77310 11.63010 -20.38871      17.54305 
1 1 1 -2  6  32 o 40.99345 13.62308 170.9465       111.4394 106.5814       189.5368 204.9528       137.7678 38.92839 16.48625 44.10060 15.14641 -5.172211      22.38773 
1 1 1 -2  6  33 o 76.25097 6.107861 520.9338       78.86343 556.6047       109.3276 482.2368       113.8705 77.25501 8.423598 70.95589 9.647846 6.299126       12.80773 
1 1 1 -2  7  1  o 207.3119 3.269889 3671.299       115.7601 3537.635       165.9784 3797.897       161.5313 203.4500 4.777404 210.8132 4.487010 -7.363220      6.554147 
1 1 1 -2  7  2  o 173.1723 3.672657 2561.982       108.6077 2515.709       151.8430 2610.452       155.4081 171.5529 5.183160 174.7525 5.207728 -3.199570      7.347488 
1 1 1 -2  7  3  o 217.5642 4.189201 4044.389       155.6397 3707.570       220.3117 4379.965       219.9045 208.2207 6.196006 226.3429 5.689384 -18.12228      8.411872 
1 1 1 -2  7  4  o 184.7581 3.358543 2915.829       105.9635 2966.398       150.1075 2865.599       149.6038 186.3151 4.717939 183.1201 4.784151 3.195023       6.719155 
1 1 1 -2  7  5  o 252.9109 4.530482 5465.289       195.6654 5375.031       276.7788 5555.460       276.6465 250.7224 6.464541 254.9019 6.355507 -4.179504      9.065472 
1 1 1 -2  7  6  o 401.2579 5.628755 13761.28       385.6896 13829.10       545.6492 13693.56       545.2459 402.0435 7.947646 400.0650 7.981049 1.978546       11.26331 
1 1 1 -2  7  7  o 85.80254 3.990687 628.9047       58.47225 556.4183       81.04101 707.6154       84.44871 80.46378 5.939965 90.82967 5.470084 -10.36590      8.074962 
1 1 1 -2  7  8  o 516.9651 8.902946 22874.88       785.9536 23166.13       1111.716 22583.86       1111.297 519.6226 12.52864 513.0197 12.68511 6.602905       17.82915 
1 1 1 -2  7  9  o 186.4838 5.082458 2971.769       161.8515 2897.169       231.6177 3042.958       226.2616 184.0441 7.369669 188.6330 7.024110 -4.588913      10.18087 
1 1 1 -2  7  10 o 392.9350 7.695798 13209.46       516.3882 13102.84       730.7762 13315.79       729.7911 390.9452 10.94628 394.1243 10.84335 -3.179108      15.40777 
1 1 1 -2  7  11 o 470.6672 7.521270 18953.61       604.5149 18799.96       855.4456 19106.89       854.3817 468.2641 10.69793 472.0894 10.59805 -3.825256      15.05869 
1 1 1 -2  7  12 o 443.0837 7.463889 16799.99       564.7457 16554.39       800.0837 17043.86       797.2656 439.3253 10.66467 445.8089 10.47255 -6.483582      14.94689 
1 1 1 -2  7  13 o 304.8661 7.479119 7956.193       389.3690 6015.830       1335.366 8136.492       407.0574 258.2451 30.89400 308.2738 7.732450 -50.02869      31.84698 
1 1 1 -2  7  14 o 81.37489 4.861291 568.1609       67.24406 587.9929       96.56250 549.4885       93.69714 82.58777 6.910358 79.81452 6.943708 2.773247       9.796332 
1 1 1 -2  7  15 o 179.2156 5.039578 2747.090       154.2311 2639.665       216.7639 2857.237       219.4931 175.5163 7.232155 182.6236 7.038208 -7.107300      10.09160 
1 1 1 -2  7  16 o 28.20021 5.606522 70.47749       26.04821 75.28898       31.99477 61.01906       44.85893 29.06791 6.596717 26.96602 8.621771 2.101891       10.85595 
1 1 1 -2  7  17 o 124.2274 3.151325 1319.003       66.85170 1230.678       94.98134 1405.715       94.10986 119.9253 4.637945 128.1900 4.299115 -8.264687      6.323996 
1 1 1 -2  7  18 o 96.45103 3.140786 795.2351       51.73056 699.3549       70.54145 906.7896       76.08926 90.27374 4.591082 102.9398 4.328507 -12.66606      6.309834 
1 1 1 -2  7  19 f 63.82109 3.630429 349.5224       39.40265 283.8638       53.84856 425.1957       57.80959 57.27050 5.576813 70.29059 4.845759 -13.02008      7.387978 
1 1 1 -2  7  20 o 140.8164 3.260095 1695.858       78.39446 1725.535       109.4951 1664.646       112.2908 141.9363 4.517512 139.3898 4.717491 2.546539       6.531664 
1 1 1 -2  7  21 o 137.2780 3.382341 1612.233       79.29032 1681.943       112.2339 1542.773       112.0333 140.0872 4.691628 134.1445 4.890714 5.942703       6.777201 
1 1 1 -2  7  22 f 33.67536 12.75073 73.74114       100.6585 155.4521       214.2176 50.58753       114.0314 48.21766 18.51851 33.12296 13.26902 15.09470       22.78162 
1 1 1 -2  7  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  7  24 o 289.7554 4.629464 7201.508       229.0678 7899.679       324.4987 6508.032       323.4058 302.8979 6.273568 274.6880 6.894553 28.20990       9.321615 
1 1 1 -2  7  25 o 83.68956 3.763294 600.2003       53.78254 747.1061       79.28077 474.9574       73.20235 93.10969 5.004575 74.03489 5.837464 19.07480       7.689067 
1 1 1 -2  7  26 o 144.3785 3.791647 1788.421       93.48292 1858.882       129.0953 1710.738       135.5504 146.8980 5.146269 140.7988 5.637675 6.099228       7.633313 
1 1 1 -2  7  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  7  28 o 19.26737 8.405237 -7.264005      52.11214 -40.71413      65.89106 48.60447       85.15517 19.34702 8.858003 29.10070 11.52868 -9.753674      14.53873 
1 1 1 -2  7  29 o 19.62119 8.679902 -13.86935      57.37949 62.64436       74.86944 -122.7804      89.32457 29.23916 11.01417 19.19115 9.237422 10.04801       14.37505 
1 1 1 -2  7  30 o 83.41355 5.170259 608.2698       73.28335 620.9831       100.3773 593.7589       107.2393 83.43047 7.113402 81.20500 7.830432 2.225471       10.57904 
1 1 1 -2  7  31 o 20.09667 9.119067 -28.85378      67.85175 -49.23435      86.43864 3.864681       109.5207 21.75171 10.02736 27.64529 12.11913 -5.893583      15.72963 
1 1 1 -2  7  32 o 92.38379 6.819721 767.9472       106.8275 719.9335       137.0948 842.1649       170.4479 87.55090 9.312738 93.23899 10.91150 -5.688087      14.34531 
1 1 1 -2  7  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  8  1  o 470.6920 6.218273 18939.10       499.8141 18712.33       699.0375 19176.28       714.9178 467.5943 8.754460 473.3441 8.844581 -5.749817      12.44456 
1 1 1 -2  8  2  o 228.2519 3.940412 4450.482       153.5882 4506.601       220.2277 4397.339       214.3063 229.6302 5.616182 226.8326 5.532578 2.797546       7.883586 
1 1 1 -2  8  3  o 78.64884 3.361341 528.3317       45.14471 484.5947       64.75562 569.6902       62.97034 75.13531 5.076763 81.53110 4.540854 -6.395782      6.811232 
1 1 1 -2  8  4  o 245.8999 3.972624 5165.323       166.8160 5075.514       236.1993 5254.700       235.6288 243.6918 5.675914 247.9609 5.564718 -4.269089      7.948716 
1 1 1 -2  8  5  o 524.1763 7.223845 23497.76       646.6180 22955.86       914.5908 24039.34       914.3210 517.6590 10.34621 529.7745 10.10662 -12.11548      14.46332 
1 1 1 -2  8  6  o 590.7187 8.001290 29854.57       807.1284 27866.18       1141.360 31843.60       1141.544 570.0485 11.72490 609.5392 10.96703 -39.49072      16.05456 
1 1 1 -2  8  7  o 369.8344 5.227668 11688.91       330.1545 11622.83       467.4202 11754.71       466.3995 368.6202 7.425512 370.7109 7.367511 -2.090637      10.46033 
1 1 1 -2  8  8  o 272.4595 3.814686 6341.483       177.4854 6453.787       251.8145 6230.617       250.1978 274.7949 5.366242 269.9989 5.426496 4.795959       7.631737 
1 1 1 -2  8  9  o 184.9530 3.736111 2922.217       118.0003 3193.069       169.4909 2667.448       164.3815 193.2914 5.134901 176.6568 5.449049 16.63460       7.487279 
1 1 1 -2  8  10 o 70.34325 5.424683 425.4831       64.65951 492.2049       88.19123 347.9279       95.08174 75.54102 6.913270 63.09262 9.087153 12.44840       11.41795 
1 1 1 -2  8  11 o 83.07876 5.841105 593.0853       82.34100 664.1039       87.83911 78.47018       236.4521 87.93116 5.883783 46.72195 18.96913 41.20921       19.86068 
1 1 1 -2  8  12 o 237.9764 6.474315 4845.588       263.1053 3665.910       877.8898 4962.005       275.7822 202.3357 26.00995 240.7998 6.706690 -38.46405      26.86070 
1 1 1 -2  8  13 o 75.46674 6.519607 491.1208       83.19426 405.7492       119.3438 571.8241       116.0349 67.90716 10.64117 81.22463 8.491153 -13.31747      13.61375 
1 1 1 -2  8  14 o 448.6579 8.395849 17273.25       643.2531 17723.95       910.2257 16823.59       909.1699 453.3886 11.75646 441.6118 12.05598 11.77679       16.83927 
1 1 1 -2  8  15 o 376.2169 7.356933 12141.42       472.6471 11933.91       669.8522 12347.17       667.0048 372.0792 10.54245 378.5423 10.31841 -6.463074      14.75171 
1 1 1 -2  8  16 o 92.04482 5.098822 727.5396       79.83113 693.1406       119.7009 755.0968       107.1375 89.46719 7.916595 93.58070 6.749603 -4.113518      10.40335 
1 1 1 -2  8  17 o 173.3898 5.128813 2575.028       151.8596 2551.931       215.5127 2597.806       214.0190 172.3302 7.323346 173.8896 7.207367 -1.559464      10.27509 
1 1 1 -2  8  18 o 208.9142 4.998186 3739.141       178.3127 3574.935       253.2226 3900.650       251.1348 203.8925 7.272760 213.0535 6.902659 -9.160965      10.02695 
1 1 1 -2  8  19 o 126.8003 3.358208 1375.185       72.71600 1225.520       102.0909 1529.301       103.5976 119.5765 4.999646 133.6217 4.540154 -14.04527      6.753478 
1 1 1 -2  8  20 f 97.38716 3.514966 811.4954       58.45542 635.6428       82.64488 987.5486       82.69202 85.86377 5.668320 107.3604 4.510427 -21.49660      7.243881 
1 1 1 -2  8  21 o 256.2550 15.13295 5862.302       659.2755 5381.910       922.6227 6363.515       942.4047 238.9502 22.89087 261.5918 21.28102 -22.64160      31.25498 
1 1 1 -2  8  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  8  23 o 90.60825 3.692850 702.9987       57.13882 723.8041       75.33383 674.8173       87.67628 91.72096 4.826701 88.39459 5.841304 3.326370       7.577458 
1 1 1 -2  8  24 o 153.2579 3.558924 2011.593       93.14153 1992.884       130.9475 2030.752       132.5105 152.3118 5.034562 153.7498 5.047005 -1.437988      7.128750 
1 1 1 -2  8  25 o 74.86306 4.556308 483.3401       57.97108 543.6899       81.80058 422.4475       82.16763 79.11702 6.101708 69.47510 7.022197 9.641922       9.302800 
1 1 1 -2  8  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  8  27 o 58.29987 5.521052 296.8825       54.31075 278.3640       82.61157 310.9788       72.07589 55.40616 9.043362 59.20430 7.282654 -3.798138      11.61118 
1 1 1 -2  8  28 o 114.4370 3.877592 1127.815       75.77579 1322.958       112.4039 965.2505       102.5931 123.4731 5.330981 105.1891 5.733070 18.28404       7.828630 
1 1 1 -2  8  29 o 58.72621 6.084334 304.9267       60.13121 329.7146       90.53439 285.3604       80.43536 59.87721 9.144221 55.80600 8.726220 4.071209       12.63977 
1 1 1 -2  8  30 o 118.4719 4.204323 1216.660       85.05762 1388.756       122.3217 1055.543       118.3556 125.7885 5.694566 109.1220 6.379250 16.66652       8.551194 
1 1 1 -2  8  31 f 60.81305 6.047418 329.9709       61.96836 393.9142       79.22478 229.1915       99.46011 65.95648 7.148395 47.57753 12.18754 18.37896       14.12925 
1 1 1 -2  8  32 o 47.87895 7.957439 214.5343       62.77711 261.5368       76.82012 120.0443       108.9200 52.42910 8.898398 35.51084 13.30269 16.91826       16.00447 
1 1 1 -2  9  1  o 324.1984 4.714154 8980.646       260.9856 8949.561       369.4660 9011.603       368.7138 323.5185 6.687650 324.6405 6.650968 -1.122009      9.431863 
1 1 1 -2  9  2  o 437.2892 5.812615 16345.16       434.0524 16004.81       614.1401 16684.85       613.5459 432.4626 8.316048 441.5758 8.136541 -9.113251      11.63443 
1 1 1 -2  9  3  o 225.3541 3.746215 4338.151       144.1651 4179.759       201.8946 4502.931       205.9256 221.1487 5.346118 229.5427 5.253455 -8.393997      7.495316 
1 1 1 -2  9  4  o 189.4707 3.139396 3066.199       101.5758 2908.035       143.3302 3225.782       143.9717 184.4856 4.549601 194.3094 4.338916 -9.823807      6.286895 
1 1 1 -2  9  5  o 243.2184 4.032352 5053.684       167.4776 5049.083       237.2707 5058.251       236.4299 243.0390 5.716974 243.2607 5.691522 -0.2217712     8.067045 
1 1 1 -2  9  6  o 300.0481 5.017045 7693.856       257.0638 7115.288       359.8811 8296.586       367.3191 288.4009 7.307360 311.4542 6.906332 -23.05328      10.05460 
1 1 1 -2  9  7  o 450.7721 5.388803 17368.34       414.8120 17335.71       587.4733 17400.79       585.7957 450.1011 7.643217 450.9498 7.607046 -0.8486633     10.78359 
1 1 1 -2  9  8  o 209.4655 3.056175 3747.646       109.3183 3703.602       156.5097 3789.602       152.7573 208.1895 4.402310 210.5983 4.247615 -2.408875      6.117399 
1 1 1 -2  9  9  o 479.3804 7.313046 19666.96       598.6604 18955.10       996.3434 20069.17       748.9282 469.6024 12.42444 483.9582 9.062134 -14.35571      15.37820 
1 1 1 -2  9  10 f 90.86795 6.128983 709.5027       94.54881 477.7169       254.3727 746.6588       101.8455 72.91248 19.88201 93.19789 6.438803 -20.28541      20.89862 
1 1 1 -2  9  11 o 161.3576 4.459213 2225.591       122.8711 2315.540       175.5528 2139.214       172.0326 164.4958 6.249582 158.1017 6.371947 6.394073       8.925188 
1 1 1 -2  9  12 o 130.3981 5.201410 1454.437       115.8228 1319.341       165.7047 1583.490       161.9561 123.8031 7.878902 135.7816 7.008712 -11.97842      10.54510 
1 1 1 -2  9  13 o 312.4231 7.026723 8366.207       374.8849 8121.089       530.6997 8610.344       529.6365 307.1803 10.11704 316.3745 9.803348 -9.194275      14.08759 
1 1 1 -2  9  14 o 174.9619 4.790113 2619.283       143.1170 2631.141       203.1096 2607.589       201.6937 175.1698 6.789995 174.3859 6.772968 0.7838898      9.590470 
1 1 1 -2  9  15 o 234.4875 5.420120 4709.762       217.0354 4589.180       307.7083 4829.140       306.1663 231.0722 7.798114 237.0829 7.562324 -6.010696      10.86275 
1 1 1 -2  9  16 o 63.19963 5.853046 345.3655       62.45106 373.2192       90.61018 320.1610       86.19352 65.32605 8.310631 60.37145 8.604113 4.954597       11.96233 
1 1 1 -2  9  17 o 298.8760 6.695807 7674.404       341.7401 7656.328       483.1811 7692.498       483.4059 297.5913 9.507970 298.3004 9.489779 -0.7091370     13.43344 
1 1 1 -2  9  18 o 92.69775 5.037806 738.7148       79.44720 751.1346       114.4291 727.1563       110.3904 93.14081 7.251554 91.65794 7.108360 1.482872       10.15450 
1 1 1 -2  9  19 o 172.2482 4.952009 2543.877       145.6592 2337.220       205.1615 2753.918       206.8353 164.7024 7.294473 178.8943 6.770583 -14.19191      9.952394 
1 1 1 -2  9  20 o 45.45254 19.27333 39.28616       259.5561 38.18417       303.1154 42.31519       502.5408 48.52978 20.71042 60.24496 26.19412 -11.71518      33.39242 
1 1 1 -2  9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  9  22 o 176.1591 5.285213 2665.017       158.9899 2578.765       228.8065 2745.545       221.0837 172.7096 7.758002 178.3444 7.259311 -5.634781      10.62470 
1 1 1 -2  9  23 o 113.9242 3.847196 1111.980       74.84489 1008.510       97.03691 1263.934       117.5942 108.3349 5.245255 121.2137 5.681098 -12.87875      7.732243 
1 1 1 -2  9  24 o 140.5709 3.793817 1694.331       91.06966 1699.816       124.8612 1688.097       133.1189 140.5374 5.202756 139.9715 5.569270 0.5659332      7.621380 
1 1 1 -2  9  25 o 101.7249 3.935722 888.7374       68.36811 754.3903       90.86793 1064.010       103.7896 93.24660 5.734375 111.0015 5.475493 -17.75489      7.928687 
1 1 1 -2  9  26 o 39.83388 7.698976 143.4940       50.47560 207.1094       64.35356 41.78778       81.37014 47.92709 8.155116 28.16124 11.23376 19.76584       13.88176 
1 1 1 -2  9  27 o 25.70516 8.644968 55.76770       44.86221 3.032930       56.49601 145.7750       73.80878 20.95931 8.942762 39.42320 10.69300 -18.46389      13.93963 
1 1 1 -2  9  28 o 50.95444 6.264858 230.4335       53.36408 133.2558       70.33767 362.2334       81.91478 37.58220 10.53555 63.51369 7.710649 -25.93149      13.05572 
1 1 1 -2  9  29 o 60.76577 5.564712 325.5853       57.10229 321.0228       78.24151 330.7852       83.52705 59.40412 7.909493 60.10291 8.365008 -0.6987839     11.51232 
1 1 1 -2  9  30 o 23.58298 9.472877 30.77591       58.28978 41.69632       77.83392 16.82915       87.96017 26.91828 10.89918 26.03846 11.13541 0.8798199      15.58171 
1 1 1 -2  9  31 o 35.91784 10.18495 126.6151       65.34445 71.09267       92.22911 182.5778       92.59399 30.53120 12.02881 42.17934 12.17677 -11.64814      17.11625 
1 1 1 -2  10 1  o 30.67182 4.804085 82.33241       24.33631 78.12715       37.55584 85.37646       31.95263 29.64177 7.432956 31.04536 6.243481 -1.403587      9.707208 
1 1 1 -2  10 2  o 389.2063 5.313769 12947.99       353.1705 12428.80       500.0895 13464.58       498.8300 381.0979 7.684387 396.6966 7.363633 -15.59869      10.64297 
1 1 1 -2  10 3  o 313.3916 4.048553 8391.209       216.6652 7873.862       309.7962 8886.544       303.1341 303.4626 5.978180 322.4213 5.505657 -18.95871      8.127171 
1 1 1 -2  10 4  o 283.9244 4.598856 6888.831       222.9742 6499.967       315.6520 7276.126       315.0151 275.6631 6.705451 291.6865 6.324310 -16.02335      9.217373 
1 1 1 -2  10 5  o 295.7046 4.502558 7472.317       227.3627 7254.945       326.2142 7677.662       317.0600 291.2336 6.559331 299.6268 6.196676 -8.393280      9.023504 
1 1 1 -2  10 6  f 189.0871 3.369887 3054.313       108.8126 3006.304       156.6187 3099.108       151.2881 187.5431 4.890358 190.4254 4.652410 -2.882248      6.749853 
1 1 1 -2  10 7  f 170.1582 3.589995 2473.696       104.3154 2412.253       148.4552 2533.622       146.6107 167.9756 5.175441 172.1574 4.986985 -4.181763      7.187156 
1 1 1 -2  10 8  o 169.6054 5.884445 2460.672       170.4304 2557.431       187.2935 1994.763       410.9857 172.8819 6.344117 150.9653 16.19515 21.91660       17.39341 
1 1 1 -2  10 9  o 98.65842 4.124426 831.9224       69.48637 707.8916       114.6421 903.9494       87.36287 90.59633 7.477032 102.8168 4.975776 -12.22047      8.981334 
1 1 1 -2  10 10 o 115.8854 3.797127 1147.764       75.14249 1189.684       108.5763 1109.230       104.1000 117.9242 5.391757 113.8686 5.353587 4.055618       7.598154 
1 1 1 -2  10 11 o 178.2213 5.647619 2718.685       171.8807 2634.059       244.3624 2801.552       241.8097 175.1910 8.168093 180.7120 7.835824 -5.521042      11.31892 
1 1 1 -2  10 12 o 275.2108 6.241905 6489.568       293.3489 6203.062       415.4417 6774.469       414.2768 268.5509 9.059027 280.7398 8.641411 -12.18887      12.51958 
1 1 1 -2  10 13 o 78.61668 5.463483 531.8774       72.89207 497.2584       104.9238 564.1716       101.3395 75.60782 8.260958 80.72009 7.435413 -5.112274      11.11435 
1 1 1 -2  10 14 o 152.5520 4.777217 1992.341       124.4500 1897.839       177.2230 2084.276       174.7997 148.6660 6.980822 155.8477 6.568078 -7.181778      9.584963 
1 1 1 -2  10 15 o 84.60164 5.117112 615.4114       73.57959 567.4019       106.2087 659.7185       102.0314 80.83776 7.790296 87.36618 6.894977 -6.528419      10.40334 
1 1 1 -2  10 16 o 209.9005 4.805209 3774.488       172.2375 3973.038       244.6434 3579.351       242.5315 215.0180 6.662800 204.0271 6.961109 10.99091       9.635868 
1 1 1 -2  10 17 o 108.0189 5.143679 1000.476       94.88022 828.0054       136.0434 1163.814       132.3928 97.61113 8.238604 116.1432 6.703763 -18.53212      10.62144 
1 1 1 -2  10 18 o 105.2724 4.894319 950.1866       87.98498 868.4301       126.4305 1026.965       122.5207 100.0998 7.449675 109.0610 6.609877 -8.961151      9.959324 
1 1 1 -2  10 19 o 226.1360 20.00911 4721.542       764.7038 5029.247       1054.990 4380.900       1110.017 225.7540 27.96443 205.7590 32.68429 19.99493       43.01479 
1 1 1 -2  10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  10 21 o 167.3824 5.236285 2405.917       149.6701 2330.282       215.3048 2476.645       208.2046 164.1915 7.678940 169.3949 7.197606 -5.203461      10.52481 
1 1 1 -2  10 22 o 142.2137 5.460353 1738.834       132.6063 1601.469       179.0751 1905.611       197.3164 135.7943 7.754555 148.1426 7.827545 -12.34828      11.01833 
1 1 1 -2  10 23 f 122.1362 5.955445 1286.823       124.2111 1169.969       191.1267 1372.263       163.4294 115.0714 9.820408 125.4850 7.663432 -10.41356      12.45667 
1 1 1 -2  10 24 o 15.95015 7.872794 -166.5681      77.56966 -368.6389      107.2535 55.05294       112.3221 15.75755 7.979547 32.75804 13.15280 -17.00048      15.38406 
1 1 1 -2  10 25 o 83.59469 6.861494 612.8857       97.08493 469.3577       144.7782 730.1627       130.8704 70.93384 12.40387 90.65730 8.554641 -19.72346      15.06778 
1 1 1 -2  10 26 o 116.7499 5.651948 1183.664       112.6826 1156.815       163.8838 1207.739       155.1861 113.9513 8.482754 116.8020 7.825630 -2.850685      11.54113 
1 1 1 -2  10 27 f 46.70514 9.930722 204.2238       76.76600 69.20943       115.3098 311.6945       102.8777 33.37020 13.35199 57.55802 10.86510 -24.18782      17.21412 
1 1 1 -2  10 28 o 38.23529 10.43578 139.8535       70.04280 -39.26670      136.0981 204.3891       81.69202 28.54604 12.93807 46.17095 10.58694 -17.62491      16.71756 
1 1 1 -2  10 29 o 38.85115 9.314829 144.1679       60.99806 43.77336       86.54006 243.2929       85.99113 28.04230 11.44093 50.20945 10.37243 -22.16714      15.44287 
1 1 1 -2  10 30 f 42.60550 8.557278 171.5990       60.09729 181.6913       84.04962 161.0417       85.96350 42.57089 11.35321 39.98605 11.78747 2.584839       16.36581 
1 1 1 -2  10 31 o 17.76622 8.145772 -29.92307      55.99331 99.18979       77.06950 -174.2652      81.48811 32.26359 11.31444 15.87668 7.878024 16.38691       13.78695 
1 1 1 -2  11 1  o 224.3281 4.005724 4300.315       153.4499 4491.780       220.4996 4120.506       213.6828 229.1745 5.634296 219.4946 5.700905 9.679901       8.015336 
1 1 1 -2  11 2  o 78.97386 2.869592 532.7532       38.69952 575.6506       55.54499 492.2862       53.94867 82.07574 3.963037 75.78149 4.185065 6.294258       5.763717 
1 1 1 -2  11 3  o 127.9966 3.194149 1399.610       69.81611 1299.007       100.7160 1492.670       96.86629 123.2686 4.784581 132.1542 4.292298 -8.885559      6.427755 
1 1 1 -2  11 4  o 347.4207 5.043934 10320.55       299.2451 9877.526       423.8358 10760.90       422.5599 339.6161 7.308149 354.5240 6.979764 -14.90784      10.10575 
1 1 1 -2  11 5  o 425.4646 6.151685 15490.69       446.9506 15052.59       625.4984 15947.75       638.8812 418.9276 8.743499 431.2192 8.676010 -12.29163      12.31754 
1 1 1 -2  11 6  o 257.1846 4.456711 5654.666       195.7318 5236.980       270.2777 6115.297       283.8326 247.3392 6.399047 267.2960 6.218244 -19.95683      8.922688 
1 1 1 -2  11 7  o 215.0993 5.190491 3957.763       190.6555 3586.665       240.8263 4580.886       312.0659 204.6231 6.892033 231.1330 7.906468 -26.50983      10.48868 
1 1 1 -2  11 8  o 256.1894 4.389435 5612.028       192.0312 5566.688       272.7137 5656.618       270.4467 254.9623 6.263673 257.0257 6.161737 -2.063385      8.786387 
1 1 1 -2  11 9  o 253.7878 4.176599 5507.383       181.0070 5472.706       256.8829 5541.578       255.0916 252.7984 5.950577 254.3939 5.872021 -1.595551      8.360023 
1 1 1 -2  11 10 o 235.7849 3.884952 4753.546       156.4240 4687.937       223.6354 4816.394       218.8753 233.9743 5.597196 237.1818 5.403977 -3.207550      7.780203 
1 1 1 -2  11 11 o 312.8493 6.699945 8396.286       357.9384 8171.711       506.6647 8620.043       505.7393 307.8650 9.637367 316.2832 9.363727 -8.418213      13.43720 
1 1 1 -2  11 12 o 326.8513 6.623586 9168.217       369.6965 8642.229       522.3987 9695.945       523.2620 316.4296 9.667700 335.3582 9.137100 -18.92862      13.30229 
1 1 1 -2  11 13 o 165.1796 4.571225 2335.810       128.9409 2427.205       183.8698 2247.375       180.8673 168.1658 6.402812 161.7973 6.546164 6.368515       9.156870 
1 1 1 -2  11 14 o 256.3297 5.557125 5634.444       243.2489 5608.734       346.7037 5659.369       341.3702 255.1657 7.956724 256.3596 7.797836 -1.193924      11.14072 
1 1 1 -2  11 15 o 90.73738 5.011554 707.8185       77.35238 748.0198       107.6258 664.8644       111.2498 93.02275 6.822839 87.55082 7.513910 5.471931       10.14938 
1 1 1 -2  11 16 o 82.79107 5.228261 590.2192       73.53706 537.6503       106.3996 638.2943       101.7503 78.53316 8.047517 85.83343 7.002913 -7.300262      10.66786 
1 1 1 -2  11 17 o 43.11784 7.848313 165.3500       55.65872 208.1332       83.92967 131.7646       74.36249 47.99424 10.52993 38.36559 10.86016 9.628651       15.12688 
1 1 1 -2  11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  11 20 o 123.3231 5.344385 1306.474       112.5497 1232.956       170.9569 1362.714       149.5257 118.9733 8.469947 125.4876 7.005679 -6.514366      10.99179 
1 1 1 -2  11 21 o 140.0046 5.582304 1686.179       133.4620 1569.279       193.7503 1791.732       184.1063 134.1522 8.501456 143.6940 7.529073 -9.541794      11.35613 
1 1 1 -2  11 22 o 177.2217 5.561686 2706.459       168.3160 2712.164       242.0051 2701.115       234.2536 176.5348 8.027724 176.2752 7.782033 0.2595520      11.18054 
1 1 1 -2  11 23 o 64.23926 9.567293 371.5487       101.7498 345.0330       153.6318 392.2675       135.8036 59.95117 15.03377 64.87316 12.71330 -4.921993      19.68864 
1 1 1 -2  11 24 o 84.24194 6.879185 622.4741       98.09794 380.2908       145.1519 826.0917       133.0939 63.06373 13.85684 96.64075 8.140657 -33.57702      16.07117 
1 1 1 -2  11 25 f 63.33102 8.469212 360.9722       89.29871 285.0876       145.5958 406.7322       113.0615 53.66814 15.19765 66.53057 10.28318 -12.86243      18.34973 
1 1 1 -2  11 26 o 19.94189 9.113955 -39.34603      69.33389 -183.8170      107.0352 65.10039       91.00870 19.69997 9.626199 30.94306 12.01901 -11.24309      15.39872 
1 1 1 -2  11 27 o 33.16755 11.12423 99.93531       74.28175 183.7286       112.3551 34.86931       99.00690 43.10824 13.63028 28.95487 12.06588 14.15337       18.20357 
1 1 1 -2  11 28 o 89.73191 7.182053 723.6252       109.1296 757.5268       161.7887 695.3248       147.8205 89.09244 10.85887 85.76642 10.29882 3.326019       14.96599 
1 1 1 -2  11 29 o 56.62289 8.866739 300.8115       82.92115 303.8456       123.9121 298.3508       111.5899 53.93673 13.48834 54.24387 12.32670 -0.3071442     18.27246 
1 1 1 -2  11 30 o 86.09737 6.632739 669.6024       96.76698 796.5037       142.9335 562.2224       131.4810 91.66054 9.258572 75.92678 10.41509 15.73376       13.93540 
1 1 1 -2  12 1  o 109.8926 2.788312 1031.721       52.32529 1137.271       79.03410 949.3513       69.81815 115.3410 4.012629 105.3858 3.879576 9.955154       5.581425 
1 1 1 -2  12 2  o 81.91598 3.807448 573.5705       53.26042 523.1165       78.69267 616.2186       72.34969 77.94228 5.957456 84.72440 5.023055 -6.782127      7.792456 
1 1 1 -2  12 3  o 56.03115 5.031001 270.7419       47.62477 249.8876       71.62035 287.2724       63.76514 53.36488 8.114895 57.53203 6.610494 -4.167152      10.46662 
1 1 1 -2  12 4  o 189.9278 4.557051 3085.165       147.8000 3094.155       212.8805 3076.798       205.3636 190.0335 6.560000 189.5209 6.345478 0.5125885      9.126812 
1 1 1 -2  12 5  o 56.87107 3.959080 277.8612       38.20945 266.7944       53.97378 288.9794       54.09908 55.52223 5.777249 57.83718 5.545465 -2.314957      8.008046 
1 1 1 -2  12 6  o 342.0965 5.042815 10015.42       294.5938 10240.07       504.1797 9898.966       363.0079 345.1675 8.553689 339.8915 6.254230 5.276031       10.59627 
1 1 1 -2  12 7  o 318.9104 4.836932 8703.586       263.4151 8431.468       374.0203 8971.396       371.0479 313.4984 6.986471 323.4382 6.717950 -9.939728      9.692349 
1 1 1 -2  12 8  o 58.11910 4.063352 290.3168       40.07412 258.6035       62.41941 312.5543       52.26879 54.47551 6.862174 60.20240 5.133290 -5.726887      8.569719 
1 1 1 -2  12 9  o 187.2054 3.971965 2997.693       126.9772 2631.860       182.2128 3343.067       177.0444 175.1989 6.090397 197.5639 5.247746 -22.36499      8.039389 
1 1 1 -2  12 10 o 218.8465 3.951689 4097.088       147.6809 3910.214       210.2124 4279.202       207.5182 213.5691 5.763921 223.4681 5.437994 -9.899048      7.924303 
1 1 1 -2  12 11 o 47.78547 4.746121 197.4527       38.21666 302.5203       77.79616 164.0333       43.87558 58.76057 7.957725 43.30648 6.102090 15.45409       10.02801 
1 1 1 -2  12 12 o 228.6856 5.705264 4486.036       222.8007 4354.771       316.0448 4615.724       314.1394 224.7527 8.234584 231.4648 7.947592 -6.712021      11.44433 
1 1 1 -2  12 13 o 196.0294 4.972116 3293.496       166.4426 3137.340       236.1689 3447.596       234.6094 190.9216 7.243787 200.2214 6.861719 -9.299789      9.977757 
1 1 1 -2  12 14 o 30.31811 9.691306 78.07907       56.68127 158.8636       77.84686 -13.07240      82.69114 41.94773 10.80226 24.38010 10.61292 17.56763       15.14341 
1 1 1 -2  12 15 o 99.53201 5.169543 852.1082       87.56268 726.9068       132.5030 949.1724       116.6677 91.28547 8.601480 104.8391 6.549469 -13.55366      10.81115 
1 1 1 -2  12 16 o 101.4180 19.06843 962.8175       318.1191 973.4570       401.4432 944.8594       521.5478 99.80045 23.87570 96.31100 29.18641 3.489449       37.70803 
1 1 1 -2  12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12 18 o 92.46239 6.041189 738.4313       94.86275 730.0894       142.6573 745.0441       127.0137 91.22919 9.286588 92.45316 8.127568 -1.223969      12.34091 
1 1 1 -2  12 19 o 30.53812 11.17901 67.05578       76.12720 -9.539264      112.0408 132.7422       103.7561 28.66373 12.41535 39.53337 13.14541 -10.86964      18.08156 
1 1 1 -2  12 20 o 94.31302 6.335703 770.6747       101.4472 910.8455       150.3728 653.5872       137.4345 101.9396 8.722210 86.00632 9.517085 15.93327       12.90937 
1 1 1 -2  12 21 o 83.23039 7.222214 605.5455       101.6313 582.9823       141.3518 629.6926       146.2289 80.62073 10.51780 83.86279 10.43663 -3.242065      14.81713 
1 1 1 -2  12 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12 23 o 129.0655 5.649518 1443.007       124.5155 1361.594       181.0895 1516.014       171.4859 123.9347 8.609982 131.2875 7.682457 -7.352844      11.53915 
1 1 1 -2  12 24 o 80.08739 7.197820 567.1378       97.38765 498.5236       135.1609 641.2217       140.4449 73.32154 11.14587 83.92290 9.996642 -10.60136      14.97209 
1 1 1 -2  12 25 o 26.19081 10.76895 28.24893       77.42165 -77.91658      132.9613 82.71101       95.23153 26.82439 12.39052 32.89381 12.41486 -6.069426      17.54006 
1 1 1 -2  12 26 o 37.59626 11.02937 135.2288       75.42358 102.7824       113.4553 160.9239       100.9642 35.52999 13.51684 40.67641 12.92722 -5.146420      18.70342 
1 1 1 -2  12 27 f 54.24538 10.76198 284.7495       96.17180 464.7987       145.6816 145.6765       128.0356 68.01768 13.01660 39.22834 14.47632 28.78934       19.46781 
1 1 1 -2  12 28 o 44.15115 10.63122 191.7271       79.19537 259.1664       119.3234 138.6310       105.8767 49.65653 13.64907 37.65230 13.25751 12.00423       19.02784 
1 1 1 -2  12 29 o 32.96368 11.34841 104.7276       77.36129 36.47941       117.1924 157.4356       102.9893 29.73610 12.78853 38.92631 13.09839 -9.190214      18.30613 
1 1 1 -2  13 1  o 161.1460 4.120546 2221.302       113.3904 2119.986       163.2026 2315.850       157.6576 157.2589 6.077290 164.4108 5.615425 -7.151855      8.274446 
1 1 1 -2  13 2  o 175.2840 3.731633 2627.329       111.6974 2410.093       194.5982 2734.067       136.4056 167.5869 6.799812 178.7503 4.468722 -11.16342      8.136764 
1 1 1 -2  13 3  o 81.51637 3.765219 568.2546       52.41275 628.2491       68.71745 484.8058       81.04408 85.54362 4.722400 74.91342 6.396499 10.63020       7.950865 
1 1 1 -2  13 4  o 137.3942 3.593008 1614.152       84.30017 1649.903       108.8296 1560.523       133.2929 138.8432 4.590084 134.9354 5.784679 3.907776       7.384536 
1 1 1 -2  13 5  o 238.5739 3.894547 4868.407       158.6652 4830.336       225.7137 4905.596       223.0824 237.4201 5.567223 239.2790 5.459573 -1.858978      7.797493 
1 1 1 -2  13 6  o 100.2583 2.850169 859.0921       48.79695 893.2184       71.68355 829.6223       66.61365 102.1760 4.108361 98.47853 3.961136 3.697495       5.706945 
1 1 1 -2  13 7  o 111.1806 3.481173 1057.051       66.09315 981.7111       98.63166 1118.452       89.04191 106.8926 5.421137 114.3013 4.561853 -7.408730      7.085142 
1 1 1 -2  13 8  o 236.9208 4.108305 4803.407       166.2141 4659.438       235.6907 4945.851       234.4387 233.0629 5.921987 240.1571 5.716523 -7.094223      8.230951 
1 1 1 -2  13 9  o 193.2837 3.501440 3195.345       115.5697 3269.185       164.3194 3123.065       162.5750 195.3381 4.926063 190.9146 4.986692 4.423462       7.009507 
1 1 1 -2  13 10 o 154.5523 3.307717 2042.857       87.29831 2157.276       123.9095 1930.089       123.0123 158.7028 4.572126 150.0897 4.799497 8.613068       6.628688 
1 1 1 -2  13 11 o 173.0144 3.495964 2560.842       103.2883 2292.233       146.7772 2824.347       145.3763 163.4887 5.257375 181.5568 4.688989 -18.06810      7.044615 
1 1 1 -2  13 12 o 146.9079 4.919737 1850.239       123.4210 1766.903       179.9354 1924.284       169.6092 143.0111 7.393198 149.5695 6.640556 -6.558395      9.937624 
1 1 1 -2  13 13 o 190.9766 5.225669 3129.288       170.4214 3074.073       242.5952 3183.086       239.4598 188.7930 7.524790 192.1687 7.297061 -3.375671      10.48187 
1 1 1 -2  13 14 o 82.14015 20.51240 644.1389       286.8577 770.7168       353.6999 400.8723       490.3398 89.01304 23.07710 71.78270 27.89370 17.23034       36.20236 
1 1 1 -2  13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  13 16 o 143.9129 5.172621 1777.769       127.1195 1552.076       183.5933 1985.612       176.1838 133.7258 8.077611 151.8015 6.796542 -18.07571      10.55655 
1 1 1 -2  13 17 o 48.18180 8.886738 207.6679       70.42465 294.8409       100.1941 122.5476       99.00746 57.21082 10.64746 38.23125 12.84279 18.97957       16.68250 
1 1 1 -2  13 18 o 142.7517 5.591062 1752.865       136.2943 1607.267       197.3537 1885.626       188.4526 135.7703 8.555899 147.4393 7.509780 -11.66905      11.38421 
1 1 1 -2  13 19 o 98.73950 6.204279 844.7499       104.0808 901.8850       153.6187 796.2665       141.5106 101.2520 8.977718 95.14709 8.809434 6.104958       12.57798 
1 1 1 -2  13 20 o 83.47643 6.774804 608.3420       95.74135 362.7445       141.4806 815.8235       130.0393 62.08683 13.71056 96.37025 7.973488 -34.28342      15.86051 
1 1 1 -2  13 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  13 22 o 86.27498 7.436874 656.7519       108.4959 749.7429       161.9732 581.0721       146.1211 90.75832 10.65356 79.58268 11.05028 11.17564       15.34949 
1 1 1 -2  13 23 o 134.9094 5.513674 1580.556       127.0238 1648.743       183.9601 1518.419       175.6084 136.3633 7.934246 130.8706 7.894766 5.492645       11.19284 
1 1 1 -2  13 24 o 14.07382 7.002829 -160.1705      66.18859 -153.9555      101.9728 -164.6952      87.00790 19.90952 9.652910 17.35265 8.520375 2.556868       12.87538 
1 1 1 -2  13 25 o 51.36335 10.18131 250.2119       86.14588 178.2841       143.2301 290.9782       107.8293 42.86510 15.38457 54.58502 11.90347 -11.71992      19.45193 
1 1 1 -2  13 26 o 35.73736 11.23152 123.3011       76.39322 158.7496       115.6636 95.87193       101.7429 40.04570 13.87111 33.76401 12.81085 6.281696       18.88188 
1 1 1 -2  13 27 o 22.03709 9.920949 -22.50938      78.47746 191.3740       135.3271 -130.8826      96.32907 42.72883 14.99239 19.54188 9.452174 23.18695       17.72330 
1 1 1 -2  13 28 o 36.15961 11.40241 131.5635       78.66891 125.8046       118.7133 136.0726       105.0455 36.23858 13.81693 36.80931 13.17900 -0.5707321     19.09433 
1 1 1 -2  14 1  o 287.0403 8.246221 7100.933       404.2033 7886.021       1063.834 6968.474       436.9731 294.1906 21.32064 284.0956 9.007168 10.09494       23.14517 
1 1 1 -2  14 2  o 232.1450 5.183237 4618.592       205.4765 4071.060       256.6436 5596.255       342.9415 217.6371 6.905508 254.9160 7.878089 -37.27893      10.47618 
1 1 1 -2  14 3  o 173.6734 3.979003 2581.118       118.0075 2696.396       198.6882 2518.291       146.6817 177.1693 6.567221 171.4348 5.010427 5.734436       8.260313 
1 1 1 -2  14 4  f 64.93523 4.794594 363.1708       52.78999 364.3762       78.41535 362.1717       71.39075 64.69084 7.221570 64.60131 6.562515 0.8953094E-01  9.757955 
1 1 1 -2  14 5  o 157.2749 3.299839 2115.386       88.62457 2158.153       129.4222 2077.626       121.6104 158.7172 4.775103 155.7498 4.572369 2.967484       6.611215 
1 1 1 -2  14 6  o 108.5527 3.580306 1008.086       66.36861 1048.500       102.0174 978.4302       87.38998 110.5703 5.402989 106.8623 4.788894 3.707947       7.219820 
1 1 1 -2  14 7  o 128.2875 3.296796 1407.608       72.22345 1466.157       106.1483 1357.138       98.55289 130.8082 4.751995 125.8664 4.585194 4.941826       6.603443 
1 1 1 -2  14 8  o 259.4440 4.228949 5764.101       187.3605 5408.484       269.7322 6095.656       260.4471 250.8673 6.296320 266.4774 5.723443 -15.61008      8.508904 
1 1 1 -2  14 9  o 80.58073 3.373174 555.4875       46.41645 664.1504       71.67676 477.0069       60.91420 87.89467 4.793549 74.44341 4.817532 13.45126       6.796082 
1 1 1 -2  14 10 o 105.5900 3.619692 954.1682       65.26738 898.9969       96.34287 1000.965       88.73038 102.1849 5.541889 108.0525 4.808785 -5.867599      7.337367 
1 1 1 -2  14 11 o 185.0885 3.815790 2932.925       120.6052 2999.804       174.5968 2871.890       166.7935 186.9219 5.469835 182.9169 5.339781 4.004974       7.644106 
1 1 1 -2  14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  14 14 o 83.45414 5.960758 601.8942       84.38869 429.4846       120.0671 770.2099       118.6331 69.44424 10.44846 94.17009 7.437729 -24.72585      12.82537 
1 1 1 -2  14 15 o 199.5055 5.631309 3421.666       191.8519 3283.296       275.7786 3551.434       267.0701 194.6588 8.296305 202.6508 7.717471 -7.992050      11.33084 
1 1 1 -2  14 16 o 181.2663 5.579990 2825.902       172.7239 2451.768       246.1593 3188.757       242.4206 167.7933 8.620026 192.0290 7.392658 -24.23575      11.35589 
1 1 1 -2  14 17 o 130.3484 5.664956 1463.470       126.0968 1243.080       183.4858 1660.709       173.5818 118.9945 9.098667 138.2482 7.379309 -19.25372      11.71495 
1 1 1 -2  14 18 o 68.20753 7.778043 410.0486       88.97486 488.8753       133.3824 346.8511       119.4296 73.51970 10.95896 61.42152 11.81548 12.09818       16.11535 
1 1 1 -2  14 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  14 20 o 59.58429 9.828109 323.3734       96.51379 -40.27560      161.5837 525.0693       120.3386 32.05836 14.34918 76.41250 9.421844 -44.35414      17.16596 
1 1 1 -2  14 21 o 68.17210 8.079799 415.3535       92.23035 497.1455       152.3106 367.9975       115.8944 72.47351 12.77364 62.85504 11.20847 9.618473       16.99399 
1 1 1 -2  14 22 o 102.4281 6.317693 920.4383       109.9650 864.9731       153.3361 979.1706       157.7875 97.77810 9.295157 104.2877 8.946706 -6.509560      12.90130 
1 1 1 -2  14 23 o 43.50545 10.57521 180.3305       77.80015 135.4258       116.6249 216.3379       104.4338 38.77263 13.88591 46.94000 12.71419 -8.167370      18.82735 
1 1 1 -2  14 24 o 51.73038 10.17872 254.6520       86.71426 283.2487       143.3704 238.1566       108.8886 51.88974 15.20182 48.68211 12.89361 3.207626       19.93341 
1 1 1 -2  14 25 o 37.65901 11.24342 139.2011       77.82349 8.407335       117.8638 240.3002       103.6241 28.69984 12.57707 48.70285 12.42074 -20.00302      17.67647 
1 1 1 -2  14 26 o 49.95440 9.931141 241.2385       81.73425 371.1922       123.1811 139.0197       109.2484 60.53888 12.33411 37.62749 13.44343 22.91138       18.24435 
1 1 1 -2  14 27 o 61.91824 8.476721 360.6274       87.27543 304.4158       130.3215 406.3387       117.5209 52.57220 14.18745 63.73270 11.20732 -11.16049      18.08003 
1 1 1 -2  15 1  f 180.3771 4.614768 2787.994       142.1455 2588.647       178.5247 3133.267       234.9500 173.5906 6.022411 190.7283 7.213705 -17.13773      9.397180 
1 1 1 -2  15 2  o 83.50818 5.046408 600.1556       71.62561 521.1024       92.72459 717.1122       112.7840 77.47773 7.086852 90.94564 7.324204 -13.46791      10.19154 
1 1 1 -2  15 3  o 62.17643 4.750392 333.2731       50.05623 233.1261       81.71257 393.4294       63.33014 51.02578 9.732901 67.47910 5.544949 -16.45333      11.20160 
1 1 1 -2  15 4  o 93.24014 3.763700 744.1232       59.92663 688.8414       87.21114 793.5749       82.48437 89.38289 5.744094 96.06385 5.045837 -6.680962      7.645593 
1 1 1 -2  15 5  o 107.9647 3.684075 997.6422       67.92229 979.1966       100.0585 1013.406       92.49943 106.6641 5.512146 108.7067 4.982883 -2.042664      7.430537 
1 1 1 -2  15 6  o 109.5517 3.833434 1027.454       71.71486 1038.919       109.3205 1018.793       95.01729 109.8151 5.850681 108.9773 5.105809 0.8377380      7.765292 
1 1 1 -2  15 7  o 75.94603 6.437416 499.7213       82.70123 420.3847       127.0728 558.0175       108.9271 68.53716 11.24766 79.96601 8.088007 -11.42886      13.85373 
1 1 1 -2  15 8  o 110.4050 11.55410 1077.728       214.6080 1191.965       270.3863 883.2361       352.8010 115.2728 14.02488 95.73701 22.03653 19.53580       26.12098 
1 1 1 -2  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  15 11 o 207.3059 3.774143 3679.819       133.6078 3749.354       196.4809 3620.010       182.2236 208.9217 5.507251 205.3541 5.196361 3.567581       7.571788 
1 1 1 -2  15 12 o 136.4531 3.883947 1594.870       90.50208 1884.071       177.7602 1493.677       105.1503 147.7713 7.044373 131.9600 4.666229 15.81131       8.449668 
1 1 1 -2  15 13 o 73.79593 6.036463 471.7731       75.40474 419.4076       114.5764 511.7822       100.1504 68.64321 10.07429 76.53401 7.770716 -7.890800      12.72303 
1 1 1 -2  15 14 o 157.6708 5.318138 2137.392       143.1900 2095.527       212.1738 2172.408       194.0415 155.2367 8.031275 158.5106 7.168600 -3.273895      10.76523 
1 1 1 -2  15 15 o 25.88874 10.65630 21.11362       75.91251 -130.4535      117.0038 131.2963       99.75945 23.31400 11.03974 38.98714 12.88621 -15.67314      16.96851 
1 1 1 -2  15 16 o 117.3935 5.771774 1189.729       115.7059 1053.189       169.3179 1309.355       158.4845 109.1947 9.165054 122.4353 7.617911 -13.24063      11.91767 
1 1 1 -2  15 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  15 19 o 58.65250 8.576732 310.1132       83.36486 401.0218       125.6845 238.6996       111.3959 65.55094 11.65504 49.90432 12.95714 15.64662       17.42778 
1 1 1 -2  15 20 o 55.69962 8.875444 282.6097       81.58662 348.1393       123.2009 231.4262       108.8830 60.38638 12.36354 48.91070 12.86421 11.47568       17.84223 
1 1 1 -2  15 21 o 19.14001 9.049823 -81.06513      78.08107 -194.5843      107.9522 43.47752       113.0723 19.48642 9.552404 31.23894 12.94569 -11.75251      16.08848 
1 1 1 -2  15 22 o 71.87643 7.868329 466.4268       94.99892 452.7141       132.3686 480.9919       136.4206 68.65846 11.70995 70.82558 11.68713 -2.167122      16.54424 
1 1 1 -2  15 23 o 50.19255 10.44541 242.7434       86.61623 168.4772       145.3424 283.6457       107.8625 41.60444 15.40966 53.40589 12.10650 -11.80145      19.59655 
1 1 1 -2  15 24 f 43.66236 10.76206 187.6681       79.72898 -61.99013      120.5328 381.8816       106.3095 25.36840 11.74579 63.14623 10.20698 -37.77782      15.56104 
1 1 1 -2  15 25 o 45.52200 10.59425 205.4043       80.81037 282.7537       123.0671 146.7734       107.1462 51.39690 13.75192 38.12939 13.34248 13.26751       19.16082 
1 1 1 -2  15 26 o 41.98414 11.68598 182.2618       86.86049 270.5280       146.6474 134.5604       107.8060 48.25882 15.60546 36.57765 13.31632 11.68117       20.51474 
1 1 1 -2  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  16 7  o 139.3365 3.610763 1662.042       85.91434 1827.858       131.2740 1537.806       113.6295 145.9059 5.268706 133.8706 4.970545 12.03523       7.243313 
1 1 1 -2  16 8  o 84.63400 3.886874 613.5311       56.17554 575.7834       88.69486 638.8161       72.59139 81.52023 6.423385 86.13479 4.956103 -4.614555      8.113127 
1 1 1 -2  16 9  o 172.8257 3.531224 2557.161       104.2163 2766.607       153.6267 2378.608       141.8454 179.5195 5.011334 166.4597 4.990040 13.05972       7.072055 
1 1 1 -2  16 10 o 59.90564 4.652831 309.7353       47.22437 351.5675       80.46902 287.7591       58.32433 63.32336 7.592955 57.51173 6.028316 5.811630       9.695027 
1 1 1 -2  16 11 f 108.7360 3.441966 1012.477       63.91192 1295.344       107.2399 856.6666       79.59089 122.7751 5.114980 99.89821 4.665559 22.87691       6.923183 
1 1 1 -2  16 12 o 18.95170 7.636673 14.32092       38.01279 -24.70967      110.1445 19.59827       40.50121 27.38609 12.07482 20.11048 7.955913 7.275614       14.46022 
1 1 1 -2  16 13 o 95.05493 4.336629 775.9940       70.39290 661.2521       129.4622 824.1556       83.87514 86.52384 8.888364 97.73326 5.042798 -11.20942      10.21924 
1 1 1 -2  16 14 o 77.11411 7.474193 522.4683       97.18822 523.2497       160.0773 522.0120       122.3109 75.17202 12.93675 76.40147 9.585811 -1.229446      16.10115 
1 1 1 -2  16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  16 17 o 89.73188 7.222967 709.6917       109.7414 598.1259       164.5982 798.9716       147.2435 79.90326 12.47038 94.32676 9.260519 -14.42350      15.53279 
1 1 1 -2  16 18 o 108.8857 6.479726 1039.760       119.9397 1001.386       177.6537 1071.901       162.5866 104.9488 10.03510 109.3773 8.778704 -4.428543      13.33300 
1 1 1 -2  16 19 o 21.70960 9.841732 -35.56458      78.80103 97.34323       108.8644 -181.8469      114.2107 35.15810 13.27273 20.71414 10.08251 14.44397       16.66800 
1 1 1 -2  16 20 o 71.08826 8.539812 459.7100       101.5942 459.0519       153.3599 460.2246       135.6216 67.98859 13.68283 69.24273 11.89852 -1.254143      18.13270 
1 1 1 -2  16 21 o 21.64606 10.01083 -55.02139      87.18631 7.646134       134.6606 -100.2515      114.4018 30.53261 13.41024 23.28260 10.99188 7.250004       17.33944 
1 1 1 -2  16 22 o 37.42557 11.72800 137.6143       83.36392 102.7419       142.1769 155.8843       102.9101 36.43451 14.73828 39.51237 13.08948 -3.077862      19.71170 
1 1 1 -2  16 23 o 17.23399 8.279392 -90.51332      70.95071 -31.73485      109.3739 -133.2188      93.22801 25.43474 11.55533 19.00603 9.218273 6.428707       14.78182 
1 1 1 -2  16 24 f 60.07841 8.663363 340.6895       86.31161 408.2537       129.9827 287.4031       115.4344 62.81922 12.55591 52.07468 13.01657 10.74453       18.08541 
1 1 1 -2  17 1  o 49.26004 6.988127 213.4160       57.13578 259.3185       99.68199 190.9566       69.72632 53.42418 11.28035 46.09215 9.181170 7.332024       14.54442 
1 1 1 -2  17 2  f 107.4342 4.144254 989.2069       76.03104 838.1200       116.9646 1099.763       100.0534 98.30612 7.013437 113.1600 5.177701 -14.85386      8.717619 
1 1 1 -2  17 3  o 103.0894 4.821829 912.0609       84.88435 865.2614       108.2208 986.8895       136.8435 100.0228 6.369066 106.5796 7.567993 -6.556793      9.891386 
1 1 1 -2  17 4  o 53.95473 5.895849 253.4124       53.43811 262.1880       90.42040 248.7021       66.24495 53.95491 10.18714 53.12943 7.510936 0.8254776      12.65669 
1 1 1 -2  17 5  o 93.23212 4.220922 745.2379       67.20085 586.0096       110.5054 838.6780       84.65258 81.86506 8.007173 98.69159 5.039743 -16.82653      9.461175 
1 1 1 -2  17 6  o 78.34358 5.611384 530.7234       74.57437 566.1679       117.3995 506.7468       96.55735 80.24713 8.706805 76.15962 7.522671 4.087509       11.50648 
1 1 1 -2  17 7  o 138.9360 3.742269 1654.134       88.78746 1516.854       133.8517 1761.999       118.6475 132.6893 5.907261 143.2187 4.851286 -10.52943      7.643999 
1 1 1 -2  17 8  o 50.89914 5.386197 225.4035       46.10475 238.1342       80.05022 219.0844       56.39819 51.42147 9.465010 49.89681 6.795738 1.524662       11.65197 
1 1 1 -2  17 9  o 42.47518 5.908719 158.5485       41.69706 121.6538       78.00597 173.3075       49.33715 36.91711 11.30838 44.26853 6.739154 -7.351418      13.16418 
1 1 1 -2  17 10 o 67.75381 4.567324 396.4228       52.53587 329.5342       87.04262 434.7530       65.89108 60.82186 8.621901 70.79634 5.493229 -9.974480      10.22315 
1 1 1 -2  17 11 o 97.76421 3.954497 820.7897       66.01962 865.4202       110.7845 796.2117       82.21236 99.68694 6.544213 95.99091 5.032928 3.696022       8.255731 
1 1 1 -2  17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  17 14 o 104.5555 6.282808 954.1763       111.6561 915.4318       157.5581 993.2645       158.2552 101.1452 9.223503 105.5686 8.860478 -4.423378      12.78988 
1 1 1 -2  17 15 o 134.7516 5.767045 1577.871       132.7056 1496.354       202.5578 1639.170       175.6526 129.1884 9.242769 136.2947 7.576902 -7.106339      11.95150 
1 1 1 -2  17 16 o 111.6207 6.053365 1089.738       114.9520 1169.762       180.8070 1035.447       148.9252 113.8032 9.387556 107.7608 8.153266 6.042397       12.43390 
1 1 1 -2  17 17 o 27.33794 10.74854 45.94885       73.49940 123.0348       113.8373 -9.158086      96.24989 37.68056 13.68895 25.81326 11.33747 11.86731       17.77429 
1 1 1 -2  17 18 o 76.08023 7.007635 515.8779       90.01933 437.9670       135.1259 578.0461       120.7044 67.28593 12.20980 79.49987 9.052513 -12.21394      15.19958 
1 1 1 -2  17 19 o 48.95488 9.916774 227.9087       80.06130 136.5639       121.7708 297.4598       106.2560 38.50385 14.13195 55.14838 11.64803 -16.64453      18.31362 
1 1 1 -2  17 20 o 40.69250 11.00072 163.0617       78.27107 94.96416       119.5044 214.2197       103.5797 34.65198 13.67967 45.83120 12.76276 -11.17923      18.70886 
1 1 1 -2  17 21 o 50.19590 9.881329 242.5851       81.68510 342.2961       123.9743 166.0870       108.5889 57.78724 12.89086 40.36503 13.44932 17.42221       18.62951 
1 1 1 -2  17 22 o 38.38519 11.33090 148.7233       79.38560 30.78221       121.5211 236.5255       104.8509 29.86799 12.93345 47.53187 12.68253 -17.66388      18.11411 
1 1 1 -2  17 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  18 1  o 139.7545 3.815642 1675.458       91.06161 1692.127       138.6733 1662.822       120.7419 140.0208 5.799603 138.9746 5.087690 1.046188       7.714920 
1 1 1 -2  18 2  f 204.7326 4.039883 3597.836       141.2400 3430.951       205.0906 3748.385       194.7940 199.2854 6.026543 208.5145 5.470631 -9.229080      8.139228 
1 1 1 -2  18 3  o 205.2863 4.033349 3617.657       141.3930 3508.697       204.9927 3716.537       195.2803 201.5340 5.956460 207.5918 5.508666 -6.057755      8.113249 
1 1 1 -2  18 4  o 105.7117 4.622128 961.1152       83.43858 909.8531       174.5956 976.2880       94.98753 100.9622 10.26978 106.4356 5.226102 -5.473320      11.52304 
1 1 1 -2  18 5  o 125.4183 3.887373 1350.287       83.25663 1389.821       129.0493 1322.100       108.9671 126.7831 5.960637 123.8516 5.152191 2.931503       7.878722 
1 1 1 -2  18 6  o 71.97424 4.635319 447.6601       56.66865 343.9305       92.66645 509.6257       71.62200 61.94492 9.025439 76.63268 5.509840 -14.68776      10.57435 
1 1 1 -2  18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  18 10 o 89.53600 4.292352 690.3153       65.62888 666.5317       108.2082 704.1550       82.54382 86.98704 7.353455 90.05534 5.392320 -3.068306      9.118685 
1 1 1 -2  18 11 o 90.72547 4.398981 709.5544       68.15273 665.4749       116.8714 732.2678       83.89374 86.58684 7.994405 91.80099 5.375000 -5.214149      9.633335 
1 1 1 -2  18 12 o 133.8757 3.942426 1543.151       90.12954 1605.234       149.0750 1507.384       113.1520 135.6040 6.437693 131.9737 5.020800 3.630356       8.164087 
1 1 1 -2  18 13 o 40.04288 8.475938 147.5273       56.15173 415.6593       180.1349 118.6688       59.09627 63.75275 16.43985 35.71253 9.517830 28.04023       18.99626 
1 1 1 -2  18 14 o 65.48645 5.389736 375.2479       59.73759 469.0187       153.9774 358.6331       64.81418 69.37966 13.48214 63.82033 6.018214 5.559330       14.76439 
1 1 1 -2  18 15 o 178.9599 5.708179 2796.402       174.4436 2815.699       258.4360 2780.251       236.4311 177.1634 8.542344 176.7230 7.834470 0.4404602      11.59097 
1 1 1 -2  18 16 o 45.71308 10.26727 199.5704       78.18983 267.2076       120.8962 150.9349       102.5171 51.40263 13.57247 39.55680 13.06256 11.84583       18.83726 
1 1 1 -2  18 17 o 48.02248 10.88258 224.4182       87.18015 165.6233       122.3279 285.1026       124.2779 40.94382 14.26042 52.62673 13.69649 -11.68291      19.77254 
1 1 1 -2  18 18 o 82.29808 7.756585 616.2458       107.7230 478.6821       162.7122 723.5907       143.7337 67.47642 14.54912 87.72229 9.760532 -20.24587      17.51984 
1 1 1 -2  18 19 o 41.88240 11.53416 176.1265       85.11551 576.3997       146.8657 -26.30720      104.4440 76.53563 11.60075 25.17146 11.37800 51.36417       16.24919 
1 1 1 -2  18 20 o 66.33585 8.491326 411.5219       93.98141 512.9470       155.9884 353.7253       117.7525 69.87932 13.56112 58.90266 12.11119 10.97666       18.18199 
1 1 1 -2  18 21 o 26.33222 10.95702 36.02775       81.47646 199.0854       143.0892 -42.20550      99.11331 42.26258 15.34823 23.36135 10.75767 18.90123       18.74288 
1 1 1 -2  19 1  o 85.69276 4.523166 634.5885       65.95494 587.8286       105.2070 664.8646       84.65590 81.55838 7.643092 87.41521 5.702346 -5.856834      9.535911 
1 1 1 -2  19 2  o 62.15289 5.333652 336.5163       56.06087 369.8177       88.11177 313.8668       72.66617 64.35094 8.204906 59.48923 7.306665 4.861710       10.98671 
1 1 1 -2  19 3  o 114.3081 3.981220 1123.907       77.71324 1047.725       119.3521 1179.978       102.3931 109.5512 6.407775 116.8409 5.131845 -7.289772      8.209471 
1 1 1 -2  19 4  f 116.2605 3.847028 1162.213       76.37642 1293.363       118.5053 1069.031       99.88991 122.1411 5.681645 111.1641 5.262050 10.97694       7.744047 
1 1 1 -2  19 5  o 67.16017 5.458897 393.2161       62.06460 484.9687       145.5681 372.8313       68.61356 71.94873 12.28918 65.17789 6.240941 6.770836       13.78308 
1 1 1 -2  19 6  o 130.3987 4.503623 1466.895       100.2853 1416.451       125.9132 1554.411       165.8466 127.7159 5.773305 132.9244 7.334727 -5.208504      9.334306 
1 1 1 -2  19 7  o 90.71729 4.314586 709.6644       66.83918 569.2479       105.6076 803.4956       86.32958 80.00680 7.830137 96.15572 5.277723 -16.14893      9.442743 
1 1 1 -2  19 8  f 133.9449 3.689656 1543.549       84.39450 1489.488       128.0305 1585.089       112.2283 130.8825 5.728358 135.3615 4.855177 -4.479050      7.509117 
1 1 1 -2  19 9  o 24.22860 8.785544 44.71369       46.85852 267.0464       100.4586 -17.11097      52.97444 53.04929 11.42681 18.54933 8.265469 34.49996       14.10284 
1 1 1 -2  19 10 o 139.1422 5.075710 1679.577       120.6029 1994.435       190.8915 1470.409       155.5882 150.2689 7.439015 129.0510 7.087284 21.21790       10.27466 
1 1 1 -2  19 11 o 96.79388 4.265858 809.5755       70.51089 928.2816       119.9045 746.8256       87.17770 102.4632 6.892844 92.43272 5.548719 10.03049       8.848704 
1 1 1 -2  19 12 o 26.58267 8.898207 61.24434       47.52681 122.8286       116.1663 48.86372       52.08547 37.52915 13.79857 25.23669 9.245524 12.29246       16.60965 
1 1 1 -2  19 13 o 20.15749 8.472671 9.307345       49.45632 54.34404       184.7209 5.829730       51.33027 37.01787 15.98769 20.13367 8.555649 16.88419       18.13300 
1 1 1 -2  19 14 o 34.31919 9.014430 111.5109       53.51130 55.11523       188.3264 116.4640       55.81172 36.89159 16.03769 35.02369 9.209370 1.867905       18.49378 
1 1 1 -2  19 15 o 33.17009 11.63903 100.7066       81.56046 263.8548       155.0688 38.31355       95.89625 49.12487 16.05788 28.50422 11.87618 20.62065       19.97246 
1 1 1 -2  19 16 o 45.25410 12.20583 207.9820       96.49026 224.7821       160.3426 198.4441       120.8144 45.54242 16.28486 43.53896 14.17094 2.003464       21.58732 
1 1 1 -2  19 17 o 79.33854 7.386823 572.9132       98.92913 493.1388       163.0720 619.3712       124.4451 67.95718 14.49435 81.23976 9.128331 -13.28258      17.12929 
1 1 1 -2  19 18 o 24.94120 10.65571 18.78835       80.40272 -183.1729      143.3021 111.5755       97.13203 23.30366 11.33165 34.28297 12.61567 -10.97931      16.95764 
1 1 1 -2  19 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  20 1  o 50.11052 6.532826 223.5021       54.57293 278.7030       95.60094 196.8196       66.46638 54.44695 10.66375 46.25311 8.735268 8.193844       13.78479 
1 1 1 -2  20 2  o 42.75424 6.595329 163.7475       46.60349 157.9371       79.81178 166.7536       57.40667 40.74267 11.14793 42.66503 8.176941 -1.922359      13.82529 
1 1 1 -2  20 3  o 22.20444 8.264019 35.02264       41.90107 1.412683       80.97024 47.31495       48.96754 24.50552 10.58435 24.77908 8.981703 -0.2735653     13.88163 
1 1 1 -2  20 4  o 36.13095 7.407597 119.2758       44.16982 131.8852       74.70502 112.4985       54.76840 37.39921 10.97818 34.74195 9.116921 2.657257       14.27020 
1 1 1 -2  20 5  o 88.07024 4.231184 670.1457       63.63455 624.8681       106.5560 695.2449       79.33521 83.68142 7.537602 89.28490 5.226171 -5.603485      9.172149 
1 1 1 -2  20 6  o 61.48158 5.491894 331.8977       57.05234 253.1781       121.5809 354.1265       64.60732 50.35004 13.75197 63.34114 6.046454 -12.99110      15.02253 
1 1 1 -2  20 7  o 136.7562 4.600311 1621.293       107.4326 1594.765       137.5493 1662.793       172.0378 134.9393 5.969227 136.6961 7.397499 -1.756821      9.505507 
1 1 1 -2  20 8  o 134.1790 3.896420 1555.093       89.27961 1615.615       137.4385 1510.910       117.4301 135.7439 5.929068 131.6582 5.223114 4.085663       7.901567 
1 1 1 -2  20 9  o 76.67274 4.862919 513.4869       63.34118 367.2289       112.8734 580.7167       76.52668 61.88644 11.08780 81.28805 5.546068 -19.40160      12.39751 
1 1 1 -2  20 10 o 104.6685 4.252782 950.0995       76.01356 1007.472       133.9140 922.8264       92.32968 105.8773 7.454215 102.5977 5.287879 3.279655       9.139310 
1 1 1 -2  20 11 o 55.11457 6.438742 272.4521       59.45732 273.1028       123.2989 272.2549       67.86980 51.27126 13.78459 54.65601 7.467062 -3.384754      15.67711 
1 1 1 -2  20 12 o 102.0110 5.315878 915.2397       92.28230 1052.257       142.2055 815.5640       121.2896 107.6448 7.788696 94.88441 7.547998 12.76042       10.84602 
1 1 1 -2  20 13 o 18.67710 8.370863 -17.14641      55.18409 0.000000       0.000000 -17.14641      55.18409 ?        ?        18.67710 8.370863 0.000000       8.370863 
1 1 1 -2  20 14 o 47.28284 7.926175 208.1371       61.73341 326.3941       194.4843 194.8870       65.10008 51.98927 17.98806 45.34131 8.724576 6.647953       19.99221 
1 1 1 -2  20 15 o 77.46324 8.351832 558.8842       108.7317 606.5322       174.5583 528.6760       138.9889 75.45894 14.06395 72.68787 11.58638 2.771065       18.22193 
1 1 1 -2  20 16 o 26.17665 11.08682 28.57784       85.72807 18.01447       193.9400 31.14310       95.57217 33.90395 15.39691 27.34188 11.64780 6.562077       19.30637 
1 1 1 -2  21 1  o 110.7015 4.081008 1061.865       77.14764 1078.014       123.9482 1051.653       98.56798 110.0577 6.625936 109.6372 5.264727 0.4204330      8.462882 
1 1 1 -2  21 2  o 90.93984 3.965498 716.0566       61.58201 592.8212       96.14582 801.7827       80.18983 81.30499 6.992909 95.75440 4.920720 -14.44941      8.550689 
1 1 1 -2  21 3  o 75.03162 4.610540 491.6529       58.78816 536.2160       91.86969 460.7515       76.50211 77.25797 7.040797 71.93860 6.290689 5.319374       9.441694 
1 1 1 -2  21 4  o 22.40812 8.691224 32.56413       47.53564 59.35726       84.22307 20.03948       57.58404 29.20587 11.49862 22.41768 9.260018 6.788193       14.76368 
1 1 1 -2  21 5  o 75.33910 4.884205 497.3932       62.49850 425.3486       99.34102 544.5894       80.40466 67.72788 8.797063 78.31688 6.059216 -10.58900      10.68187 
1 1 1 -2  21 6  o 43.77244 7.167379 175.4081       51.72033 258.8110       83.07433 122.6197       66.09146 52.11479 9.691483 35.59266 10.29115 16.52213       14.13622 
1 1 1 -2  21 7  o 36.05082 9.250224 124.6330       57.22876 301.3956       174.4926 103.3277       60.57958 51.43256 17.04470 32.87944 9.943352 18.55312       19.73302 
1 1 1 -2  21 8  o 33.19131 11.02778 104.4640       73.02530 169.5768       98.83493 26.18313       108.3690 40.83862 12.76548 28.74059 12.32724 12.09802       17.74594 
1 1 1 -2  21 9  o 14.78063 6.945851 -42.41055      44.74368 -35.07965      96.01747 -44.44404      50.56998 23.65996 10.77900 15.87516 7.435833 7.784797       13.09498 
1 1 1 -2  21 10 o 21.41633 8.861694 18.52574       52.86814 297.7286       116.9749 -53.14741      59.26673 53.47162 12.94839 17.00158 7.990977 36.47004       15.21567 
1 1 1 -2  21 11 o 22.25890 9.362644 16.52558       60.46191 28.34134       129.9032 13.25805       68.31233 30.38784 13.26314 23.04531 9.833219 7.342529       16.51069 
1 1 1 -2  21 12 o 48.42400 7.351261 217.2606       58.87865 289.3374       132.9998 199.6918       65.66360 50.84111 14.56951 45.67969 8.736186 5.161423       16.98798 
1 1 1 -2  21 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  22 1  o 42.94460 7.654230 171.9200       54.07407 99.50502       85.54716 220.1054       69.78294 32.79332 11.87386 48.11997 8.817165 -15.32665      14.78955 
1 1 1 -2  22 2  o 51.21103 5.967384 235.6996       51.20685 241.6151       80.98152 231.7586       66.09885 49.86263 9.859976 49.80508 8.046044 0.5754852E-01  12.72627 
1 1 1 -2  22 3  o 75.34006 4.966016 500.3249       63.53218 543.0145       107.7184 477.5535       78.67272 76.36918 8.398571 72.85990 6.387635 3.509277       10.55168 
1 1 1 -2  22 4  o 86.48853 4.606350 656.2442       67.78748 580.8024       114.2269 697.2570       84.22124 78.76729 8.633690 88.60212 5.595153 -9.834831      10.28817 
1 1 1 -2  22 5  o 13.17401 6.412917 -76.00621      46.23142 -140.5503      88.29407 -51.62642      54.26480 17.92059 8.753818 16.09176 7.588862 1.828825       11.58534 
1 1 1 -2  22 6  o 45.12568 6.913760 187.4558       51.57935 176.5054       88.73533 193.0437       63.38792 41.25328 11.92352 44.99063 8.563372 -3.737350      14.67997 
1 1 1 -2  22 7  o 64.40276 5.403463 369.3340       58.87703 142.7033       109.8479 460.6841       69.74081 37.33432 13.46470 71.79120 5.736622 -34.45688      14.63582 
1 1 1 -1  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  2  o 207.8745 3.899562 3694.423       138.3166 3694.423       138.3166 3694.423       138.3166 207.8745 3.899562 207.8745 3.899562 0.000000       0.000000 
1 1 1 -1  0  3  o 196.8085 4.373625 3313.186       146.8260 3313.186       146.8260 3313.186       146.8260 196.8085 4.373625 196.8085 4.373625 0.000000       0.000000 
1 1 1 -1  0  4  o 515.5107 12.71460 22795.47       1117.751 22795.47       1117.751 22795.47       1117.751 515.5107 12.71460 515.5107 12.71460 0.000000       0.000000 
1 1 1 -1  0  5  o 361.2759 7.246932 11167.81       446.6843 11167.81       446.6843 11167.81       446.6843 361.2759 7.246932 361.2759 7.246932 0.000000       0.000000 
1 1 1 -1  0  6  o 131.9521 4.096346 1491.392       92.10141 1491.392       92.10141 1491.392       92.10141 131.9521 4.096346 131.9521 4.096346 0.000000       0.000000 
1 1 1 -1  0  7  o 83.22047 4.813627 597.5507       67.88391 597.5507       67.88391 597.5507       67.88391 83.22047 4.813627 83.22047 4.813627 0.000000       0.000000 
1 1 1 -1  0  8  o 43.23803 4.921024 165.8436       35.11914 165.8436       35.11914 165.8436       35.11914 43.23803 4.921024 43.23803 4.921024 0.000000       0.000000 
1 1 1 -1  0  9  o 36.00154 7.133376 123.0049       38.97075 123.0049       38.97075 123.0049       38.97075 36.00154 7.133376 36.00154 7.133376 0.000000       0.000000 
1 1 1 -1  0  10 o 347.0027 5.992628 10301.70       354.8624 10301.70       354.8624 10301.70       354.8624 347.0027 5.992628 347.0027 5.992628 0.000000       0.000000 
1 1 1 -1  0  11 o 383.0349 6.288462 12548.21       411.0746 12548.21       411.0746 12548.21       411.0746 383.0349 6.288462 383.0349 6.288462 0.000000       0.000000 
1 1 1 -1  0  12 o 231.0143 5.586860 4567.021       220.1073 4567.021       220.1073 4567.021       220.1073 231.0143 5.586860 231.0143 5.586860 0.000000       0.000000 
1 1 1 -1  0  13 o 191.5217 4.914036 3139.226       160.4766 3139.226       160.4766 3139.226       160.4766 191.5217 4.914036 191.5217 4.914036 0.000000       0.000000 
1 1 1 -1  0  14 o 202.8633 5.029357 3521.718       173.9860 3521.718       173.9860 3521.718       173.9860 202.8633 5.029357 202.8633 5.029357 0.000000       0.000000 
1 1 1 -1  0  15 o 93.33303 4.607043 749.4760       73.01960 749.4760       73.01960 749.4760       73.01960 93.33303 4.607043 93.33303 4.607043 0.000000       0.000000 
1 1 1 -1  0  16 o 469.4915 9.422204 18876.79       754.7227 18876.79       754.7227 18876.79       754.7227 469.4915 9.422204 469.4915 9.422204 0.000000       0.000000 
1 1 1 -1  0  17 o 419.1664 8.390632 15046.51       600.0538 15046.51       600.0538 15046.51       600.0538 419.1664 8.390632 419.1664 8.390632 0.000000       0.000000 
1 1 1 -1  0  18 o 51.54108 9.209511 247.9180       73.34987 247.9180       73.34987 247.9180       73.34987 51.54108 9.209511 51.54108 9.209511 0.000000       0.000000 
1 1 1 -1  0  19 o 237.2766 5.328970 4820.035       215.6777 4820.035       215.6777 4820.035       215.6777 237.2766 5.328970 237.2766 5.328970 0.000000       0.000000 
1 1 1 -1  0  20 o 433.5768 7.575841 16114.22       560.5312 16114.22       560.5312 16114.22       560.5312 433.5768 7.575841 433.5768 7.575841 0.000000       0.000000 
1 1 1 -1  0  21 o 101.1130 4.968504 880.5737       85.31721 880.5737       85.31721 880.5737       85.31721 101.1130 4.968504 101.1130 4.968504 0.000000       0.000000 
1 1 1 -1  0  22 o 142.1654 7.345637 1746.150       177.2435 1746.150       177.2435 1746.150       177.2435 142.1654 7.345637 142.1654 7.345637 0.000000       0.000000 
1 1 1 -1  0  23 o 43.86085 21.70494 250.7113       195.5780 250.7113       195.5780 250.7113       195.5780 43.86085 21.70494 43.86085 21.70494 0.000000       0.000000 
1 1 1 -1  0  24 f 31.87538 20.55703 13.29157       259.5351 13.29157       259.5351 13.29157       259.5351 31.87538 20.55703 31.87538 20.55703 0.000000       0.000000 
1 1 1 -1  0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  26 o 22.31916 12.49473 58.59185       71.47585 58.59185       71.47585 58.59185       71.47585 22.31916 12.49473 22.31916 12.49473 0.000000       0.000000 
1 1 1 -1  0  27 o 36.59834 14.09591 158.5254       83.47082 158.5254       83.47082 158.5254       83.47082 36.59834 14.09591 36.59834 14.09591 0.000000       0.000000 
1 1 1 -1  0  28 o 80.49457 6.748080 569.1439       91.25762 569.1439       91.25762 569.1439       91.25762 80.49457 6.748080 80.49457 6.748080 0.000000       0.000000 
1 1 1 -1  0  29 o 23.04600 12.77070 65.37967       73.81238 65.37967       73.81238 65.37967       73.81238 23.04600 12.77070 23.04600 12.77070 0.000000       0.000000 
1 1 1 -1  0  30 o 68.40306 8.146379 422.8443       91.59528 422.8443       91.59528 422.8443       91.59528 68.40306 8.146379 68.40306 8.146379 0.000000       0.000000 
1 1 1 -1  0  31 f 32.63712 13.50898 133.0758       74.81826 133.0758       74.81826 133.0758       74.81826 32.63712 13.50898 32.63712 13.50898 0.000000       0.000000 
1 1 1 -1  0  32 o 12.84653 8.929347 -56.82484      69.21321 -56.82484      69.21321 -56.82484      69.21321 12.84653 8.929347 12.84653 8.929347 0.000000       0.000000 
1 1 1 -1  0  33 o 23.37726 13.40210 69.02139       84.90484 69.02139       84.90484 69.02139       84.90484 23.37726 13.40210 23.37726 13.40210 0.000000       0.000000 
1 1 1 -1  0  34 o 20.67485 12.64768 42.31357       85.14037 42.31357       85.14037 42.31357       85.14037 20.67485 12.64768 20.67485 12.64768 0.000000       0.000000 
1 1 1 -1  1  1  o 105.2514 3.408516 946.2413       61.26253 921.6908       86.64140 970.7883       86.63519 103.8550 4.885355 106.5875 4.759773 -2.732460      6.820714 
1 1 1 -1  1  2  o 108.5998 3.427748 1007.410       63.56817 963.4355       87.84082 1055.762       92.10892 106.1815 4.844461 111.1527 4.852659 -4.971169      6.856902 
1 1 1 -1  1  3  o 429.5307 5.470425 15769.23       401.2520 15693.19       567.4564 15845.27       567.4555 428.2694 7.759139 430.3439 7.721724 -2.074463      10.94666 
1 1 1 -1  1  4  o 427.4549 5.791938 15619.15       422.7817 15925.48       597.9023 15312.82       597.9048 431.3849 8.116400 422.9863 8.277589 8.398560       11.59286 
1 1 1 -1  1  5  o 206.7359 3.893318 3651.169       137.4477 3658.350       194.3605 3643.985       194.4004 206.8849 5.501453 206.4778 5.513428 0.4070129      7.788702 
1 1 1 -1  1  6  o 103.5457 2.788676 915.7256       49.30965 858.6064       69.58974 973.3221       69.87991 100.2475 4.065086 106.7382 3.833809 -6.490730      5.587756 
1 1 1 -1  1  7  o 250.1695 3.921075 5347.526       167.5103 5310.203       236.8700 5384.864       236.9207 249.2041 5.566124 250.9523 5.528532 -1.748215      7.845151 
1 1 1 -1  1  8  o 139.7079 2.554147 1667.211       60.93525 1692.737       86.07590 1641.565       86.27536 140.7457 3.581332 138.6000 3.645203 2.145706       5.110132 
1 1 1 -1  1  9  o 196.9445 3.388056 3314.467       113.9453 3185.378       161.1094 3443.663       161.1765 192.9861 4.888694 200.6704 4.703450 -7.684280      6.783935 
1 1 1 -1  1  10 o 88.72532 2.880163 672.4875       43.63818 750.8292       61.73201 594.2386       61.69542 93.73245 3.856724 83.26349 4.354194 10.46896       5.816642 
1 1 1 -1  1  11 o 232.3329 4.030754 4612.077       159.9186 4578.768       226.0747 4645.437       226.2435 231.4106 5.720932 233.0914 5.683920 -1.680740      8.064491 
1 1 1 -1  1  12 o 264.3335 4.508959 5969.844       203.5309 5846.217       287.7197 6093.673       287.9528 261.4922 6.443308 266.9761 6.316071 -5.483856      9.022692 
1 1 1 -1  1  13 o 331.9212 4.965493 9413.861       281.4487 9441.428       398.0262 9386.294       398.0310 332.2827 7.014585 331.3097 7.035270 0.9730530      9.934758 
1 1 1 -1  1  14 o 378.8893 5.261287 12268.36       340.4131 12289.19       481.4187 12247.54       481.4149 379.0408 7.437639 378.3968 7.450239 0.6440125      10.52732 
1 1 1 -1  1  15 o 179.2203 2.994302 2743.375       91.63993 2534.678       129.0150 2955.891       130.1899 172.2370 4.386436 186.0065 4.098709 -13.76953      6.003352 
1 1 1 -1  1  16 o 303.6574 3.885646 7877.860       201.4879 7882.104       285.4328 7873.646       284.4637 303.6447 5.504732 303.4828 5.488969 0.1619263      7.773729 
1 1 1 -1  1  17 o 95.24108 3.162813 774.8975       51.43987 710.1066       73.38241 837.4916       72.12772 91.02034 4.737560 98.99216 4.266773 -7.971817      6.375721 
1 1 1 -1  1  18 o 176.2076 3.555016 2653.281       106.9715 2783.492       153.5651 2530.541       149.0951 180.4070 4.984680 172.0093 5.075858 8.397690       7.114167 
1 1 1 -1  1  19 o 278.8870 4.188365 6650.803       199.4687 6553.104       282.6223 6747.771       281.5634 276.6174 5.983082 280.7113 5.873735 -4.093903      8.384393 
1 1 1 -1  1  20 o 159.9774 4.077929 2189.067       111.4039 2193.007       138.7052 2181.906       186.9976 160.0435 5.075196 159.4566 6.867391 0.5869751      8.539243 
1 1 1 -1  1  21 o 212.9239 6.369275 3890.610       231.5882 3446.565       582.5630 3973.955       252.3880 196.4765 17.54789 215.1036 6.870986 -18.62715      18.84513 
1 1 1 -1  1  22 o 65.84538 4.729270 373.2968       52.82249 432.1387       76.42615 319.4799       73.09003 70.64540 6.404767 60.52087 7.214314 10.12453       9.647143 
1 1 1 -1  1  23 o 20.71006 8.639112 7.687465       50.83068 -34.00075      81.08784 34.67300       65.24010 22.72170 10.16792 25.85095 10.13851 -3.129251      14.35883 
1 1 1 -1  1  24 o 170.3044 12.55502 2560.107       362.5534 2813.959       523.5790 2326.259       502.5247 175.8690 17.67293 159.0879 18.86531 16.78107       25.85019 
1 1 1 -1  1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  1  26 o 246.6041 4.320183 5212.947       181.9300 5180.278       257.9457 5245.286       256.6351 245.3333 6.157009 246.8900 6.087101 -1.556686      8.658034 
1 1 1 -1  1  27 o 171.2412 3.869855 2513.733       113.1631 2464.973       159.1395 2563.608       160.9494 169.2276 5.506869 172.5917 5.460941 -3.364075      7.755481 
1 1 1 -1  1  28 o 69.32105 5.562799 417.4371       65.29604 395.1615       90.54437 441.5746       94.25230 66.79266 8.104333 70.70353 7.943864 -3.910866      11.34836 
1 1 1 -1  1  29 o 55.66237 5.917299 271.4931       55.38292 314.4349       75.47920 221.4087       81.51516 59.48742 7.604205 49.02979 10.07286 10.45763       12.62087 
1 1 1 -1  1  30 o 54.38879 6.396216 261.4703       58.27172 143.6634       85.83726 362.1701       79.36060 39.19916 11.83193 63.78975 7.424259 -24.59058      13.96833 
1 1 1 -1  1  31 o 51.27278 7.153197 236.0308       60.92513 253.0294       85.89433 218.8193       86.43044 51.99257 10.03785 47.96698 10.81051 4.025593       14.75214 
1 1 1 -1  1  32 o 23.79674 9.066506 39.49402       51.09251 15.26547       71.75134 64.41602       72.77089 24.04925 10.16193 28.85030 10.86047 -4.801043      14.87328 
1 1 1 -1  1  33 o 43.14826 8.941791 176.3899       63.72060 259.2354       94.63300 107.6721       86.18709 51.34768 11.11478 34.05889 11.96383 17.28880       16.33009 
1 1 1 -1  1  34 o 86.95927 5.583661 671.4296       82.47739 744.7717       121.8667 609.4452       112.0340 89.81905 8.030068 81.06178 8.206488 8.757271       11.48166 
1 1 1 -1  2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  2  2  o 346.2954 5.109483 10248.45       302.1521 10669.45       427.3330 9827.545       427.2822 353.1894 7.085277 338.9433 7.382201 14.24612       10.23221 
1 1 1 -1  2  3  o 251.4446 4.698838 5402.426       201.7598 5305.086       248.9759 5588.613       344.3389 249.1165 5.852654 255.5630 7.890168 -6.446442      9.823864 
1 1 1 -1  2  4  o 106.7165 3.667098 972.8323       66.82765 1031.594       94.59722 914.2904       94.42017 109.8695 5.041960 103.2888 5.371690 6.580719       7.367252 
1 1 1 -1  2  5  o 459.1028 6.042500 18020.75       473.7274 18107.50       669.9458 17934.00       669.9578 459.9013 8.530474 457.6867 8.571901 2.214539       12.09324 
1 1 1 -1  2  6  o 252.9929 4.157000 5468.994       179.5934 5443.910       253.9323 5494.099       254.0345 252.3186 5.893413 253.4806 5.868756 -1.161987      8.317127 
1 1 1 -1  2  7  o 609.3732 8.501080 31828.13       884.6253 30281.23       1492.033 32666.68       1098.536 592.0941 14.75658 616.7496 10.43046 -24.65552      18.07073 
1 1 1 -1  2  8  o 260.2078 3.625592 5786.286       161.1021 5743.745       227.8224 5828.836       227.8431 259.1321 5.148412 261.0479 5.111093 -1.915802      7.254613 
1 1 1 -1  2  9  f 80.48190 2.711856 553.3342       37.27063 593.5090       53.88678 516.4904       51.60454 83.33244 3.786746 77.63755 3.904831 5.694893       5.439407 
1 1 1 -1  2  10 o 253.2154 4.117995 5479.627       178.0647 5338.855       248.8097 5627.427       254.9454 249.8263 5.832130 256.4901 5.820692 -6.663803      8.239794 
1 1 1 -1  2  11 o 377.4563 5.444613 12178.73       350.9422 12419.62       496.3206 11937.86       496.2939 380.9613 7.629209 373.4826 7.781559 7.478729       10.89759 
1 1 1 -1  2  12 o 350.0377 4.907313 10469.53       293.3327 10157.97       414.7493 10781.34       414.9210 344.6530 7.046958 355.0865 6.842730 -10.43347      9.822555 
1 1 1 -1  2  13 o 157.5775 3.362589 2120.858       90.48363 2174.917       128.1899 2067.180       127.7377 159.5465 4.705052 155.5423 4.809152 4.004227       6.727962 
1 1 1 -1  2  14 o 259.1446 3.480733 5736.287       154.0334 5080.028       217.2036 6400.246       218.4742 243.8098 5.216917 273.6875 4.674587 -29.87776      7.004854 
1 1 1 -1  2  15 o 554.2968 7.087515 26281.90       670.8699 26603.67       948.9248 25960.36       948.5820 557.1774 9.973243 550.3754 10.09285 6.801941       14.18912 
1 1 1 -1  2  16 o 232.7627 3.874011 4628.883       153.9842 4516.652       220.4069 4735.893       215.2188 229.8428 5.615552 235.3693 5.354617 -5.526566      7.759275 
1 1 1 -1  2  17 o 101.0971 3.667870 873.3061       63.32201 899.9034       89.38693 846.5129       89.71565 102.5901 5.102309 99.35343 5.307107 3.236641       7.361994 
1 1 1 -1  2  18 o 74.08020 3.749869 470.2277       47.28282 489.6173       66.95904 450.9431       66.77734 75.47470 5.227433 72.39599 5.441279 3.078712       7.545434 
1 1 1 -1  2  19 o 157.7415 3.190445 2126.451       85.94074 2134.218       105.9940 2111.546       146.8289 157.9926 3.928643 157.0502 5.474837 0.9423981      6.738551 
1 1 1 -1  2  20 o 53.67011 7.268759 251.8104       64.90447 264.8353       157.6956 249.1540       71.21613 54.40516 15.94448 53.23702 8.088097 1.168144       17.87858 
1 1 1 -1  2  21 o 494.4733 6.175326 20978.10       521.4404 20863.84       737.2140 21092.49       737.6424 491.9115 8.776162 494.6233 8.733119 -2.711761      12.38097 
1 1 1 -1  2  22 o 43.57111 6.354130 166.4353       45.88654 73.75588       66.50480 250.6464       63.39368 30.53314 10.52144 53.52078 7.112329 -22.98765      12.69984 
1 1 1 -1  2  23 o 137.5567 3.713594 1619.356       87.23248 1638.750       124.4196 1600.605       122.3375 138.2157 5.271440 136.6009 5.244501 1.614838       7.435917 
1 1 1 -1  2  24 o 28.70158 12.92247 -60.00601      133.1832 -94.39368      220.2147 -40.17427      167.2343 36.70179 16.56193 33.60641 14.84486 3.095375       22.24112 
1 1 1 -1  2  25 o 258.7824 6.275404 5761.166       277.3182 5761.166       277.3182 0.000000       0.000000 258.7824 6.275404 ?        ?        0.000000       6.275404 
1 1 1 -1  2  26 o 62.20460 5.945368 335.8620       62.38520 385.4939       86.67702 282.5166       89.86111 66.32128 7.802504 56.19873 9.715075 10.12255       12.46041 
1 1 1 -1  2  27 o 188.1452 3.933555 3035.406       126.3806 2885.869       175.5745 3196.195       182.0601 183.0465 5.616916 192.6616 5.533728 -9.615067      7.884915 
1 1 1 -1  2  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  2  29 o 68.85272 5.242822 412.0646       61.18036 430.3517       83.40362 390.7616       90.01874 69.87451 7.087885 66.22125 8.131218 3.653259       10.78679 
1 1 1 -1  2  30 o 99.85806 4.416347 860.6705       75.30924 794.9926       106.3167 926.8116       106.6910 95.13862 6.584485 102.9554 6.095580 -7.816742      8.972822 
1 1 1 -1  2  31 o 65.73618 5.330281 378.4232       59.31994 345.9029       83.29034 411.8989       84.50498 61.83546 8.081086 67.83829 7.415437 -6.002831      10.96780 
1 1 1 -1  2  32 o 40.18186 9.044707 152.6080       60.56499 210.4861       83.42543 88.11111       88.06657 46.60857 10.70692 32.37347 11.99418 14.23510       16.07789 
1 1 1 -1  2  33 f 54.83908 7.892991 276.9054       71.78567 385.5625       106.3795 186.0583       97.27132 63.50580 10.15129 42.77555 12.51866 20.73025       16.11725 
1 1 1 -1  2  34 o 83.00411 5.328893 610.0648       75.13415 579.7258       110.2744 636.3519       102.6466 78.94209 8.304742 83.52502 7.269058 -4.582932      11.03666 
1 1 1 -1  3  1  o 556.5588 10.27533 26544.77       976.5819 26522.73       1412.825 26564.94       1351.412 555.2133 14.90139 555.8398 14.23758 -0.6264648     20.60970 
1 1 1 -1  3  2  o 612.5641 15.52685 32306.38       1624.190 32164.38       1691.359 33988.40       5821.161 610.9885 16.21067 595.3387 57.99538 15.64984       60.21835 
1 1 1 -1  3  3  o 476.1187 7.936984 19398.45       645.3163 19723.54       912.6855 19073.46       912.5446 479.5750 11.14455 471.5706 11.33197 8.004425       15.89386 
1 1 1 -1  3  4  o 230.2882 5.272429 4532.912       207.3406 4759.469       293.3408 4306.715       293.1071 235.8592 7.283123 224.3371 7.651092 11.52214       10.56329 
1 1 1 -1  3  5  o 132.7698 3.678401 1506.002       83.39890 1473.612       118.0818 1538.240       117.8064 131.2939 5.266675 134.1458 5.142685 -2.851913      7.361052 
1 1 1 -1  3  6  o 513.2570 8.462395 22577.36       741.7030 22019.49       1071.153 23091.22       1028.029 505.7888 12.40167 518.2061 11.61718 -12.41727      16.99295 
1 1 1 -1  3  7  o 375.5450 4.957349 12061.60       317.9168 12218.57       449.5941 11904.62       449.6104 377.6798 6.970998 372.7802 7.062877 4.899628       9.923660 
1 1 1 -1  3  8  o 79.11791 3.015269 534.8098       40.73830 541.6605       57.57017 527.9387       57.65522 79.48442 4.256900 78.46302 4.319643 1.021400       6.064694 
1 1 1 -1  3  9  o 249.7750 4.047609 5332.110       172.6432 5333.231       244.0673 5330.987       244.2415 249.6780 5.724367 249.6250 5.729669 0.5300903E-01  8.099227 
1 1 1 -1  3  10 o 215.8112 3.420355 3978.741       126.0512 3951.461       178.2252 4006.043       178.3015 215.0134 4.854022 216.4947 4.822871 -1.481354      6.842632 
1 1 1 -1  3  11 o 463.0933 6.984550 18340.87       552.3429 18286.47       781.1439 18395.27       781.1177 462.0245 9.900658 463.4016 9.870908 -1.377014      13.98062 
1 1 1 -1  3  12 o 65.50086 2.782706 366.4108       31.12550 366.3360       43.45218 366.4896       44.60673 65.36975 3.910482 65.37640 4.014986 -0.6652832E-02 5.604640 
1 1 1 -1  3  13 f 181.4662 3.553167 2812.792       110.1066 2962.136       155.0920 2661.026       156.3441 186.1884 4.877921 176.4628 5.188316 9.725601       7.121288 
1 1 1 -1  3  14 f 252.0313 4.697282 5427.621       202.1636 5681.302       285.8752 5173.843       285.9299 257.7649 6.494575 245.9662 6.807414 11.79866       9.408527 
1 1 1 -1  3  15 o 149.6542 2.923691 1912.904       74.71750 1980.346       105.4685 1844.952       105.8656 152.2463 4.056711 146.9459 4.218865 5.300415       5.852839 
1 1 1 -1  3  16 o 341.7850 4.828579 9984.917       281.8216 10030.95       398.4042 9938.816       398.7078 342.3896 6.813988 340.8097 6.850792 1.579926       9.662494 
1 1 1 -1  3  17 o 46.97014 4.331229 190.1804       34.34906 255.8711       45.89860 106.5552       51.78642 54.47504 4.989439 34.58417 8.759228 19.89087       10.08060 
1 1 1 -1  3  18 o 51.92430 5.481922 233.2766       47.87293 230.2107       70.69456 235.8734       65.06087 51.13377 8.386970 51.91255 7.561232 -0.7787743     11.29219 
1 1 1 -1  3  19 o 199.2070 3.763646 3392.864       128.0311 3459.063       181.6581 3327.526       180.4743 201.0088 5.292218 197.1431 5.360827 3.865738       7.532997 
1 1 1 -1  3  20 o 248.8719 3.975460 5298.032       168.9527 5408.794       239.4481 5188.213       238.4255 251.2381 5.581154 246.0469 5.674569 5.191193       7.959272 
1 1 1 -1  3  21 o 176.8353 3.263279 2673.805       98.54282 2679.489       140.7415 2668.339       138.0195 176.8921 4.659205 176.5325 4.578403 0.3596039      6.532226 
1 1 1 -1  3  22 o 62.59555 5.040077 338.0100       53.41792 398.3677       74.91923 275.5948       76.18537 67.77084 6.555541 55.94565 8.219557 11.82518       10.51362 
1 1 1 -1  3  23 o 115.6118 3.466326 1143.603       68.43424 1101.763       97.35175 1184.475       96.21944 113.3477 5.029552 117.5488 4.793391 -4.201088      6.947876 
1 1 1 -1  3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  3  25 o 125.7967 4.097857 1355.659       88.02949 1214.752       119.6455 1521.963       129.9807 118.8697 5.894179 133.0809 5.719543 -14.21125      8.213070 
1 1 1 -1  3  26 o 179.0550 4.603720 2750.508       140.7658 2629.295       247.9990 2808.122       170.9776 174.1238 8.340458 180.7283 5.540016 -6.604523      10.01274 
1 1 1 -1  3  27 o 85.58381 8.697864 645.4698       125.3513 645.4698       125.3513 0.000000       0.000000 85.58381 8.697864 ?        ?        0.000000       8.697864 
1 1 1 -1  3  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  3  29 o 114.1568 3.959567 1120.916       77.18829 1191.540       107.6225 1046.105       110.7669 117.3371 5.371130 109.6278 5.938960 7.709312       8.007514 
1 1 1 -1  3  30 o 126.8467 3.779695 1385.181       81.87247 1396.987       112.5632 1371.919       119.3006 126.9249 5.193353 125.6397 5.560498 1.285194       7.608552 
1 1 1 -1  3  31 o 100.0150 4.943795 869.0258       84.43594 891.5658       119.2404 846.3568       119.5812 100.2186 7.011621 97.51466 7.232644 2.703911       10.07343 
1 1 1 -1  3  32 o 29.76886 10.00671 79.88543       60.10832 131.2549       85.25157 29.10356       84.76255 36.86660 11.89604 26.72075 11.15203 10.14585       16.30593 
1 1 1 -1  3  33 o 60.49841 7.257971 333.1207       73.48595 291.6202       108.3745 368.4422       99.98174 53.75393 12.09838 62.23055 9.726764 -8.476620      15.52355 
1 1 1 -1  3  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  4  1  o 553.0654 6.927688 26167.46       654.2846 25797.89       935.5424 26521.26       915.3834 548.5772 9.986740 556.2917 9.636038 -7.714539      13.87761 
1 1 1 -1  4  2  o 129.5875 2.981012 1434.361       65.96730 1432.982       93.38565 1435.734       93.19833 129.5011 4.222840 129.6257 4.210319 -0.1245728     5.963151 
1 1 1 -1  4  3  o 210.6825 3.949839 3792.549       142.1051 3480.656       200.9423 4104.595       200.9917 201.7507 5.832494 219.1138 5.371636 -17.36302      7.929215 
1 1 1 -1  4  4  o 149.7197 3.083048 1914.859       78.82447 1868.045       111.5630 1961.525       111.3865 147.8411 4.418990 151.4988 4.305480 -3.657715      6.169654 
1 1 1 -1  4  5  o 241.8682 5.545082 5004.016       229.0280 5227.493       324.0576 4780.988       323.7318 247.0040 7.682744 236.1821 8.026690 10.82191       11.11091 
1 1 1 -1  4  6  o 294.2001 6.456129 7411.292       324.3523 7319.399       458.8129 7503.096       458.5940 291.9427 9.203143 295.6052 9.084780 -3.662506      12.93179 
1 1 1 -1  4  7  o 154.3681 5.075244 2038.293       133.7878 2007.679       189.4130 2068.773       188.9967 153.0620 7.246705 155.3830 7.122769 -2.321014      10.16113 
1 1 1 -1  4  8  o 68.44282 3.191889 400.2172       37.30590 369.0265       46.49976 456.5560       62.49462 65.57489 4.174230 72.89384 5.051691 -7.318947      6.553150 
1 1 1 -1  4  9  o 364.2292 5.364045 11342.27       333.6330 11517.63       471.7759 11166.83       471.8808 366.7968 7.531965 361.1527 7.651375 5.644104       10.73657 
1 1 1 -1  4  10 o 529.4277 7.150264 23975.58       646.4437 23408.63       924.2863 24518.46       904.4551 522.6135 10.35676 534.9459 9.900913 -12.33234      14.32796 
1 1 1 -1  4  11 o 244.5695 3.594988 5109.145       150.1418 4864.595       212.0396 5355.051       212.6267 238.5928 5.204246 250.3407 4.973755 -11.74786      7.198779 
1 1 1 -1  4  12 o 438.5479 5.829905 16438.56       436.5966 16560.99       617.5479 16316.21       617.3339 439.9490 8.219898 436.6790 8.278579 3.269928       11.66626 
1 1 1 -1  4  13 o 369.8268 4.940524 11687.51       312.0135 12063.56       441.2865 11311.56       441.2209 375.5862 6.880327 363.6725 7.104668 11.91373       9.890157 
1 1 1 -1  4  14 o 249.1536 3.516797 5302.771       149.6292 5466.111       211.8426 5140.154       211.3735 252.9078 4.905116 245.2448 5.047182 7.662979       7.038054 
1 1 1 -1  4  15 o 571.6436 6.281451 27947.35       613.1790 29010.54       867.4210 26885.41       866.9113 581.9683 8.728280 560.1776 9.062478 21.79071       12.58218 
1 1 1 -1  4  16 o 224.2489 3.673826 4296.739       140.6859 4420.253       175.4487 4074.288       235.4550 227.4081 4.517958 218.2162 6.318573 9.191925       7.767645 
1 1 1 -1  4  17 o 292.3582 6.755506 7319.958       337.2680 5601.896       882.7399 7613.625       364.9559 251.8247 20.71090 298.1086 7.169089 -46.28387      21.91660 
1 1 1 -1  4  18 o 171.8858 3.521188 2525.235       103.3549 2516.512       147.2450 2533.706       145.1102 171.4965 5.027863 172.0878 4.937940 -0.5913239     7.047174 
1 1 1 -1  4  19 o 124.2389 3.074649 1319.214       65.23114 1382.338       94.35027 1261.412       90.28545 127.1140 4.346581 121.4265 4.354141 5.687538       6.152342 
1 1 1 -1  4  20 o 23.32404 7.084738 46.93091       30.70504 -2.692251      46.02679 86.72515       41.21721 18.74119 8.035933 31.14898 7.773587 -12.40779      11.18056 
1 1 1 -1  4  21 o 148.8387 3.267437 1894.382       83.04719 1945.844       118.3820 1844.516       116.5328 150.7338 4.599101 146.7517 4.650107 3.982086       6.540277 
1 1 1 -1  4  22 o 100.8652 3.446548 870.3337       59.36461 855.5585       85.56873 884.0441       82.42782 99.77124 5.038663 101.5691 4.752369 -1.797890      6.926264 
1 1 1 -1  4  23 o 61.85951 4.895980 330.1540       51.29616 308.9764       68.44708 357.2875       77.47659 59.52181 6.859585 63.99635 7.215399 -4.474533      9.955696 
1 1 1 -1  4  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  4  25 o 93.66228 4.294419 751.8862       68.68645 768.9776       93.92467 732.2386       100.7039 94.38950 5.856025 91.99162 6.451378 2.397873       8.712824 
1 1 1 -1  4  26 o 36.92945 8.226844 122.8978       50.55198 78.51507       64.27042 194.9022       81.86222 30.80414 10.34740 46.26366 10.59053 -15.45953      14.80635 
1 1 1 -1  4  27 o 97.45869 4.156274 815.5206       69.17142 826.9534       94.83002 802.5212       101.1189 97.73805 5.706528 96.16216 6.190706 1.575890       8.419579 
1 1 1 -1  4  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  4  29 f 58.90196 6.084989 304.7569       60.32357 367.3940       74.91486 189.2489       101.7321 64.48530 6.910738 44.62256 12.72733 19.86274       14.48251 
1 1 1 -1  4  30 o 126.4260 4.105900 1378.668       88.64345 1421.050       127.2758 1338.744       123.5297 127.6970 5.836643 123.9439 5.836386 3.753067       8.254078 
1 1 1 -1  4  31 o 153.3016 4.043222 2031.571       105.8464 1912.643       151.2998 2145.566       148.1294 147.6606 6.000284 156.7048 5.535504 -9.044189      8.163652 
1 1 1 -1  4  32 o 85.29706 5.548654 641.2773       80.38124 762.8405       113.4733 518.8407       113.8802 92.05675 7.277665 74.72399 9.113355 17.33276       11.66266 
1 1 1 -1  4  33 o 25.30395 10.03356 41.38695       64.55405 66.16281       98.78247 22.91956       85.28413 30.66096 12.32621 25.99328 11.03634 4.667677       16.54497 
1 1 1 -1  5  1  o 82.00188 2.599892 574.3713       36.40667 519.2404       51.70402 628.5854       51.27232 77.94802 3.884340 85.77076 3.500595 -7.822739      5.228983 
1 1 1 -1  5  2  o 41.83466 3.558002 150.6304       25.17685 117.8409       36.00073 182.0183       35.22289 36.64197 5.958191 45.91713 4.552073 -9.275154      7.498094 
1 1 1 -1  5  3  o 286.1313 4.063233 6998.066       198.5359 6829.296       280.8922 7166.547       280.6523 282.4972 5.822689 289.4043 5.678868 -6.907104      8.133465 
1 1 1 -1  5  4  o 281.4039 4.421834 6770.519       212.4880 6650.832       304.0995 6884.708       297.0320 278.6998 6.389652 283.5892 6.133547 -4.889435      8.857090 
1 1 1 -1  5  5  o 133.6418 3.336822 1526.149       76.15130 1447.300       106.2501 1609.435       109.1989 130.0900 4.782814 137.1888 4.661197 -7.098862      6.678477 
1 1 1 -1  5  6  o 340.3460 7.375187 9925.703       428.6429 9967.276       606.3232 9884.166       606.0620 340.4531 10.42906 339.0216 10.46858 1.431519       14.77689 
1 1 1 -1  5  7  o 26.68828 7.316591 62.90011       34.34016 102.7669       47.47537 19.15367       49.73180 33.95552 8.265410 21.85199 8.759659 12.10353       12.04361 
1 1 1 -1  5  8  o 305.1587 5.633960 7961.904       293.5902 7822.340       415.3446 8101.273       415.0540 302.2578 8.046910 307.6150 7.901238 -5.357178      11.27751 
1 1 1 -1  5  9  o 240.0569 5.447374 4925.425       223.3075 4665.464       315.9234 5184.995       315.6856 233.5030 7.922958 246.1881 7.509064 -12.68503      10.91601 
1 1 1 -1  5  10 o 202.3827 4.064575 3498.956       140.4722 3419.343       197.1972 3580.972       200.1512 200.0155 5.773447 204.6899 5.726110 -4.674408      8.131484 
1 1 1 -1  5  11 o 212.7058 3.399533 3864.433       123.4811 3856.269       176.6127 3872.240       172.7100 212.4411 4.868346 212.8843 4.750857 -0.4431763     6.802311 
1 1 1 -1  5  12 o 266.1042 3.753413 6048.906       170.5611 6245.096       241.5981 5853.971       240.8234 270.3259 5.233640 261.7169 5.388465 8.609070       7.511760 
1 1 1 -1  5  13 o 396.2003 4.465208 13412.54       302.1053 13130.68       427.2772 13694.30       427.2057 391.8693 6.385082 400.2034 6.251070 -8.334045      8.935612 
1 1 1 -1  5  14 o 468.0823 5.422967 18729.62       433.4720 19019.57       612.8914 18439.42       613.1527 471.4216 7.613286 464.1586 7.735712 7.262939       10.85373 
1 1 1 -1  5  15 o 565.1617 6.670161 27330.71       643.7406 27818.39       800.0677 26435.33       1084.091 569.8640 8.221548 554.6701 11.44535 15.19385       14.09219 
1 1 1 -1  5  16 o 102.7377 4.501624 902.3333       78.97707 1233.173       129.9540 708.5824       99.44945 119.8620 6.371901 90.75519 6.459113 29.10681       9.073106 
1 1 1 -1  5  17 o 339.0148 4.368252 9827.367       252.8880 10006.03       358.0648 9649.553       357.2121 341.8427 6.133852 335.6829 6.231535 6.159851       8.743922 
1 1 1 -1  5  18 o 32.08781 5.867496 90.95505       30.96622 118.3857       43.00810 61.42683       44.62219 36.52340 7.151612 27.00126 8.595397 9.522137       11.18152 
1 1 1 -1  5  19 o 38.79332 5.205006 131.1828       33.61132 157.8166       48.33579 106.2465       46.77005 42.33477 6.925584 34.46257 8.086474 7.872204       10.64682 
1 1 1 -1  5  20 o 166.8385 3.264522 2379.990       93.00745 2387.685       131.4925 2372.285       131.5724 166.9912 4.611108 166.4501 4.628911 0.5411835      6.533692 
1 1 1 -1  5  21 o 46.77965 4.663417 189.3070       36.75663 162.5887       52.71565 214.5874       51.27763 42.84928 7.476272 49.61094 6.187176 -6.761662      9.704421 
1 1 1 -1  5  22 o 80.59054 3.242553 555.5403       44.62447 490.6730       64.91780 613.6483       61.44255 75.47474 5.066243 84.53822 4.269945 -9.063477      6.625650 
1 1 1 -1  5  23 o 27.82844 12.34268 -35.73248      116.7615 -188.9008      207.7744 34.96480       141.1591 32.24468 15.09337 34.90490 14.46463 -2.660221      20.90539 
1 1 1 -1  5  24 o 67.88553 4.097507 396.1775       47.27793 433.2180       65.15821 354.9950       68.70486 70.82607 5.428658 63.92038 6.379499 6.905689       8.376655 
1 1 1 -1  5  25 f 107.5043 3.969015 990.1140       72.86357 1024.775       99.27792 949.6436       107.2755 109.2234 5.322736 104.8879 6.014375 4.335518       8.031452 
1 1 1 -1  5  26 o 159.7049 3.780661 2186.175       103.1069 2094.979       141.4727 2289.495       150.5838 156.0465 5.309051 163.1072 5.406336 -7.060776      7.577236 
1 1 1 -1  5  27 o 74.83835 4.762723 484.0258       60.55038 491.9968       80.05152 473.3674       92.56801 75.12080 6.298463 73.36037 7.494440 1.760429       9.789651 
1 1 1 -1  5  28 o 106.9615 4.297838 984.7711       78.50174 990.8494       109.6463 978.3787       112.4429 106.7107 6.041863 105.9679 6.241336 0.7427444      8.686679 
1 1 1 -1  5  29 o 67.85596 8.777904 415.2764       99.32983 373.4642       181.6234 433.1192       118.6455 60.52247 16.91672 68.58886 10.46078 -8.066387      19.88978 
1 1 1 -1  5  30 o 129.3808 4.825048 1450.895       106.6040 1357.980       129.2378 1648.707       188.5702 124.6281 6.072559 135.8305 8.167658 -11.20236      10.17775 
1 1 1 -1  5  31 o 34.81784 10.16732 115.2398       64.22556 213.1553       86.57089 -4.624452      95.78354 46.86042 11.00589 25.74022 11.30757 21.12020       15.77944 
1 1 1 -1  5  32 o 27.27053 9.937542 61.20707       60.05961 -10.15705      87.86279 123.7987       82.28549 24.19010 10.71899 35.80310 11.69707 -11.61300      15.86563 
1 1 1 -1  5  33 o 38.96382 10.57936 151.2517       72.20422 175.7550       101.2923 125.9386       102.9523 41.03658 12.93829 35.97427 13.02584 5.062309       18.35952 
1 1 1 -1  6  1  o 368.3680 5.424597 11609.47       341.2332 11353.48       482.6511 11865.31       482.5023 363.8988 7.766954 372.0446 7.594556 -8.145874      10.86291 
1 1 1 -1  6  2  o 283.1931 4.279335 6856.110       206.9478 6850.694       292.7787 6861.518       292.5582 282.9043 6.060355 283.1288 6.050989 -0.2244873     8.564015 
1 1 1 -1  6  3  o 299.7819 4.826597 7684.942       247.0861 7340.643       349.4974 8028.987       349.3677 292.7464 6.991180 306.2066 6.681382 -13.46021      9.670443 
1 1 1 -1  6  4  o 279.1850 4.839391 6664.471       230.7197 6262.486       326.3638 7066.078       326.2103 270.4195 7.067439 287.2951 6.649170 -16.87564      9.703615 
1 1 1 -1  6  5  o 238.7781 4.399835 4873.059       179.4042 4594.000       253.7340 5152.037       253.6978 231.7083 6.412615 245.4067 6.053805 -13.69843      8.818741 
1 1 1 -1  6  6  o 291.3568 4.581970 7254.777       227.9709 6971.621       322.5998 7537.232       322.1996 285.4711 6.617591 296.8477 6.356081 -11.37659      9.175635 
1 1 1 -1  6  7  o 334.9865 7.332601 9600.274       419.4568 9551.174       593.3625 9649.321       593.0406 333.7947 10.40971 335.5129 10.35079 -1.718170      14.67995 
1 1 1 -1  6  8  o 457.0532 7.464799 17868.15       582.6218 16596.28       823.5369 19142.59       824.3672 440.0336 10.95961 472.7052 10.21241 -32.67154      14.98021 
1 1 1 -1  6  9  o 633.9713 11.04122 34444.57       1195.332 34421.76       1690.821 34467.35       1690.088 632.5810 15.65235 633.0049 15.63508 -0.4239502     22.12356 
1 1 1 -1  6  10 o 455.1917 8.399491 17730.45       652.9037 17154.72       923.1091 18306.78       923.5817 447.2122 12.08753 462.0504 11.70534 -14.83823      16.82627 
1 1 1 -1  6  11 o 281.7782 5.230652 6785.504       251.6896 6762.606       355.2842 6808.573       356.6051 281.1744 7.399429 282.1282 7.401830 -0.9537964     10.46607 
1 1 1 -1  6  12 o 652.6067 10.97569 36521.57       1223.165 36328.14       1730.092 36714.88       1729.542 649.4510 15.59986 652.9306 15.51180 -3.479553      21.99936 
1 1 1 -1  6  13 o 351.0614 5.024480 10533.58       301.2147 10141.22       430.8660 10908.65       421.2603 344.2655 7.329035 357.0966 6.908167 -12.83115      10.07162 
1 1 1 -1  6  14 o 333.7035 8.526482 9540.738       485.8840 9487.759       1289.276 9549.509       524.5610 328.4695 23.13299 333.7626 9.203572 -5.293121      24.89661 
1 1 1 -1  6  15 o 639.4362 7.193569 35017.40       785.4952 34329.37       1110.958 35705.19       1110.757 632.1215 10.29189 644.7419 10.08861 -12.62036      14.41191 
1 1 1 -1  6  16 o 55.13287 3.244739 260.6305       30.41399 212.8523       41.69958 314.9348       44.45641 49.63601 4.987100 60.53791 4.328924 -10.90190      6.603843 
1 1 1 -1  6  17 o 234.9102 3.947089 4718.298       158.3364 4727.389       223.6422 4709.162       224.2020 234.9727 5.573581 234.5164 5.598405 0.4563446      7.899807 
1 1 1 -1  6  18 o 411.0834 5.499415 14476.71       386.0544 14746.69       546.0322 14206.87       545.8945 414.2352 7.719147 406.5329 7.863412 7.702240       11.01901 
1 1 1 -1  6  19 o 181.2175 3.229342 2807.644       99.93467 2780.420       142.5009 2833.990       140.1855 180.2121 4.630539 181.9523 4.511736 -1.740158      6.465110 
1 1 1 -1  6  20 o 78.35617 3.363708 525.0901       45.00839 520.3783       64.30910 529.6140       63.01363 77.78329 4.866017 78.48952 4.723327 -0.7062378     6.781441 
1 1 1 -1  6  21 o 98.72865 3.368791 833.7941       56.79618 789.0248       80.05183 879.1729       80.59476 95.81823 4.908874 101.2946 4.659279 -5.476326      6.768008 
1 1 1 -1  6  22 o 94.53590 5.031579 768.6868       80.93507 814.4008       125.6157 736.2397       105.8297 96.86176 7.656754 92.23840 6.766040 4.623360       10.21789 
1 1 1 -1  6  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  6  24 o 140.7951 3.539908 1696.944       85.11015 1831.206       120.5500 1563.508       120.1788 146.0965 4.831983 134.9428 5.215261 11.15370       7.109642 
1 1 1 -1  6  25 o 75.98891 3.966868 496.2200       51.29688 512.3355       73.48160 480.9008       71.64285 76.96986 5.629624 74.55141 5.669993 2.418449       7.990087 
1 1 1 -1  6  26 o 150.4071 3.753291 1940.046       96.40122 2123.728       134.8776 1748.222       137.8343 157.0937 5.027814 142.3795 5.669018 14.71419       7.577379 
1 1 1 -1  6  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  6  28 o 54.10898 6.897663 259.5286       62.28468 199.2886       88.22992 319.3713       87.93848 46.04702 11.30398 59.44192 8.940119 -13.39489      14.41200 
1 1 1 -1  6  29 o 54.51851 6.922123 264.6767       62.99203 185.4927       84.27715 364.9121       94.82035 44.19918 11.16299 63.34151 9.021091 -19.14233      14.35244 
1 1 1 -1  6  30 o 59.68111 6.415376 316.3846       64.35589 261.2805       89.42606 375.5812       92.68747 52.58863 10.32650 64.11636 8.689315 -11.52773      13.49596 
1 1 1 -1  6  31 o 20.07372 9.327850 -54.91360      77.04873 -50.68519      144.2518 -56.60146      91.13831 28.56519 13.08876 22.08327 10.22082 6.481922       16.60665 
1 1 1 -1  6  32 o 66.97229 6.191258 400.7741       70.00564 422.0565       98.56817 379.1120       99.44349 67.29480 8.787133 63.30481 9.491508 3.989986       12.93454 
1 1 1 -1  6  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  7  1  o 85.08216 3.638438 618.4528       52.86345 517.7593       76.14350 712.1476       73.44966 77.59843 5.787802 91.15849 4.734658 -13.56005      7.477676 
1 1 1 -1  7  2  o 527.7073 7.125165 23829.30       642.0812 23439.54       908.1456 24218.88       907.9343 522.7791 10.17268 531.4378 10.00461 -8.658691      14.26799 
1 1 1 -1  7  3  o 506.4296 6.880118 21940.28       594.9999 21749.77       841.5787 22130.69       841.3352 503.7334 9.783450 508.1430 9.695745 -4.409576      13.77401 
1 1 1 -1  7  4  o 105.9901 3.086889 959.5255       55.87125 886.4521       79.57276 1030.581       78.46660 101.8528 4.574985 109.8282 4.183781 -7.975456      6.199557 
1 1 1 -1  7  5  o 338.4347 5.231107 9788.641       302.3224 9413.402       427.6733 10163.44       427.4237 331.7188 7.549881 344.7057 7.261196 -12.98688      10.47500 
1 1 1 -1  7  6  o 735.8370 12.51239 46458.52       1572.258 44455.54       1967.054 50002.04       2616.342 718.6740 16.02812 760.4257 20.14818 -41.75171      25.74587 
1 1 1 -1  7  7  o 480.8868 6.376970 19769.52       523.6718 19141.46       732.7242 20425.26       748.7017 472.8865 9.073643 488.5005 8.975153 -15.61398      12.76262 
1 1 1 -1  7  8  o 266.8059 5.944351 6084.683       270.8331 6128.544       383.3895 6040.993       382.6433 267.6207 8.389162 265.6992 8.433387 1.921509       11.89538 
1 1 1 -1  7  9  o 96.52678 4.319785 796.0313       71.20522 775.9434       101.7320 815.3237       99.69758 95.06047 6.302693 97.47639 6.018845 -2.415924      8.714954 
1 1 1 -1  7  10 o 233.4305 5.324584 4657.024       212.2488 4393.434       301.0071 4917.686       299.3301 226.6035 7.778720 239.7714 7.310568 -13.16789      10.67487 
1 1 1 -1  7  11 o 238.0027 5.723406 4842.422       232.6154 4521.192       329.6719 5160.923       328.2682 229.8123 8.400530 245.5755 7.827836 -15.76321      11.48233 
1 1 1 -1  7  12 o 405.4461 10.22080 14096.22       707.6521 14127.79       737.9769 13735.55       2494.224 405.8257 10.64882 388.1104 38.12595 17.71530       39.58517 
1 1 1 -1  7  13 o 520.1411 11.66266 23252.50       1035.907 19380.38       3682.258 23585.29       1079.505 449.4984 48.75314 523.7280 12.07027 -74.22958      50.22509 
1 1 1 -1  7  14 o 607.4872 10.92795 31733.07       1133.647 30471.72       1603.479 32993.61       1602.959 593.0024 15.83452 617.4070 15.20369 -24.40460      21.95186 
1 1 1 -1  7  15 o 451.4297 8.089355 17482.01       623.5998 17298.97       901.5435 17649.92       863.4931 447.8835 11.78745 452.6317 11.17151 -4.748260      16.24028 
1 1 1 -1  7  16 o 179.5631 3.586513 2756.142       109.9744 2721.699       157.5848 2788.843       153.5483 178.3277 5.174800 180.5298 4.980744 -2.202011      7.182365 
1 1 1 -1  7  17 o 54.22330 4.143406 252.9658       38.07548 217.6804       52.08264 293.4728       55.80344 50.00559 6.234624 58.25204 5.682157 -8.246445      8.435487 
1 1 1 -1  7  18 o 321.0219 4.500584 8821.117       246.7206 8479.883       348.7822 9162.875       349.0492 314.3275 6.497855 326.8029 6.254590 -12.47543      9.018981 
1 1 1 -1  7  19 o 98.37341 3.153971 827.4470       52.98310 828.8208       73.07189 825.9239       76.93620 98.39254 4.348969 98.20560 4.587674 0.1869354      6.321414 
1 1 1 -1  7  20 o 54.93915 3.802708 259.5347       35.45663 257.0354       48.59121 262.3809       51.85418 54.49246 5.288375 55.01692 5.597274 -0.5244560     7.700415 
1 1 1 -1  7  21 o 221.2019 3.874948 4188.807       146.3715 4306.859       207.5403 4071.975       206.4652 224.0153 5.425288 217.7948 5.551334 6.220490       7.762156 
1 1 1 -1  7  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  7  23 o 29.81034 6.510483 79.45081       32.21407 84.75659       41.03551 70.92970       52.00357 30.73618 7.804039 28.91519 9.287018 1.820993       12.13061 
1 1 1 -1  7  24 o 35.61470 5.853029 111.9159       34.35993 70.24564       44.30120 174.8271       54.43356 28.30887 8.490101 44.40104 7.442510 -16.09216      11.29038 
1 1 1 -1  7  25 o 163.4711 3.520349 2289.538       98.27175 2361.314       139.7044 2219.237       138.2614 165.7391 4.936090 160.6527 5.039773 5.086472       7.054381 
1 1 1 -1  7  26 o 58.57835 5.988964 299.7859       59.06632 332.0135       87.72089 273.0542       79.89175 60.96950 8.669560 55.15675 8.776093 5.812748       12.33617 
1 1 1 -1  7  27 o 24.62057 9.315819 40.28366       53.70723 28.63868       81.32553 49.29042       71.52232 27.01632 11.06442 27.77671 10.69230 -0.7603951     15.38658 
1 1 1 -1  7  28 o 47.97831 6.820000 205.1371       54.30389 188.0954       72.26329 227.2457       82.30804 45.03556 9.684137 49.46582 10.08591 -4.430256      13.98242 
1 1 1 -1  7  29 o 20.71618 8.400590 18.35632       46.31305 27.93097       57.71068 1.034946       77.62221 23.52964 9.434788 23.99894 10.36439 -0.4693031     14.01556 
1 1 1 -1  7  30 o 101.2926 4.479705 890.2258       77.48702 938.9305       108.2797 839.1032       110.9349 103.1222 6.177285 97.16940 6.726930 5.952782       9.132931 
1 1 1 -1  7  31 o 68.13735 5.794197 411.6127       66.77884 291.4679       90.29492 556.6616       99.21284 55.27974 9.930222 78.38580 7.503568 -23.10606      12.44640 
1 1 1 -1  7  32 o 22.76075 9.593544 16.59833       63.69332 19.58311       73.36371 7.462345       128.3520 24.27438 10.26727 29.24762 12.95797 -4.973232      16.53257 
1 1 1 -1  8  1  o 216.4122 3.609700 4000.453       133.3997 4039.219       188.9656 3961.941       188.3472 217.4153 5.089684 215.3244 5.122290 2.090927       7.220993 
1 1 1 -1  8  2  o 509.2768 7.258292 22180.96       631.2337 21326.57       892.8111 23034.92       892.5875 498.9362 10.47883 518.5997 10.07898 -19.66357      14.53931 
1 1 1 -1  8  3  o 391.6535 5.419348 13108.88       362.4524 13081.80       512.7628 13135.91       512.4077 391.0723 7.678167 391.8823 7.656990 -0.8099976     10.84360 
1 1 1 -1  8  4  o 353.1302 5.155242 10655.96       310.8750 10527.29       439.8652 10784.37       439.4225 350.8460 7.341775 355.1117 7.246285 -4.265686      10.31554 
1 1 1 -1  8  5  o 489.6339 5.978935 20492.45       499.9163 19995.10       707.2608 20989.03       706.7164 483.3753 8.568272 495.2709 8.356039 -11.89560      11.96824 
1 1 1 -1  8  6  o 297.5471 4.333552 7563.820       220.1921 7444.539       312.1938 7681.894       310.6095 295.1001 6.195166 299.7750 6.067606 -4.674866      8.671558 
1 1 1 -1  8  7  o 384.3869 5.284070 12627.19       346.8480 11681.85       491.1232 13567.87       489.9132 369.5208 7.783045 398.2912 7.203051 -28.77039      10.60470 
1 1 1 -1  8  8  o 306.4840 4.778289 8026.515       250.0819 7080.780       350.2647 9009.935       357.1749 287.7247 7.128815 324.6134 6.443363 -36.88870      9.609211 
1 1 1 -1  8  9  o 413.0176 7.070832 14591.48       498.7019 14750.65       705.9039 14432.88       704.6397 414.8927 9.963406 410.3858 10.05479 4.506958       14.15515 
1 1 1 -1  8  10 o 288.1479 6.463656 7100.983       318.0501 6607.375       449.0645 7597.797       450.5207 277.6905 9.469907 297.8422 8.857814 -20.15170      12.96688 
1 1 1 -1  8  11 o 350.6750 9.426275 10541.17       564.4777 10562.59       589.0991 10300.93       1973.128 350.9709 9.829138 336.9133 34.79652 14.05756       36.15812 
1 1 1 -1  8  12 o 247.9334 5.033220 5255.573       213.0997 5222.428       304.3905 5287.434       298.4348 246.9770 7.217267 248.5265 7.031933 -1.549576      10.07656 
1 1 1 -1  8  13 o 408.6736 7.634462 14312.34       532.7911 14287.71       754.7191 14336.81       752.2479 407.5668 10.84388 408.2816 10.78945 -0.7147827     15.29712 
1 1 1 -1  8  14 o 119.5409 4.627826 1222.085       94.47031 1297.702       139.6182 1158.231       128.3006 122.8973 6.677765 116.1057 6.497097 6.791626       9.316911 
1 1 1 -1  8  15 o 210.8172 5.197812 3804.095       187.1236 3808.045       265.2941 3800.184       263.9763 210.6649 7.374515 210.4515 7.345325 0.2134399      10.40852 
1 1 1 -1  8  16 o 121.5108 4.828990 1263.861       100.2013 1277.176       143.1011 1251.053       140.3509 121.7956 6.908780 120.5486 6.846148 1.247047       9.726303 
1 1 1 -1  8  17 o 174.6261 5.182995 2612.320       154.5582 2658.035       221.8679 2569.220       215.4307 175.8481 7.388478 172.8995 7.296453 2.948547       10.38402 
1 1 1 -1  8  18 o 91.55557 3.799560 717.1742       59.40459 737.2194       109.2708 708.7643       70.77747 92.34605 6.980771 90.86151 4.576234 1.484543       8.347040 
1 1 1 -1  8  19 o 163.6217 3.631275 2290.634       101.4617 2207.258       145.9375 2368.640       141.1587 160.4246 5.327138 166.2335 4.972641 -5.808899      7.287357 
1 1 1 -1  8  20 o 90.96499 3.553311 708.0553       55.19623 713.1008       99.38106 705.8047       66.37486 90.83832 6.448577 90.77563 4.281859 0.6268311E-01  7.740702 
1 1 1 -1  8  21 o 44.64024 19.45875 -16.11850      278.8120 5.007111       343.3949 -56.98614      477.6162 49.98680 21.69326 56.13996 24.92831 -6.153156      33.04570 
1 1 1 -1  8  22 o 87.09215 3.512533 649.1696       52.23977 713.8322       74.52885 586.7167       73.24429 91.10751 4.807380 82.51600 5.224942 8.591507       7.100065 
1 1 1 -1  8  23 o 89.39231 3.506021 684.0773       53.52006 637.2809       74.29700 734.5521       77.16185 86.00967 5.081059 92.38766 4.908488 -6.377991      7.064730 
1 1 1 -1  8  24 o 152.0703 3.753847 1981.724       97.48168 2058.831       136.7284 1902.010       139.0200 154.7476 5.174080 148.6759 5.475637 6.071655       7.533505 
1 1 1 -1  8  25 o 41.26563 7.689026 152.8088       52.18930 128.0325       76.90054 173.9638       71.05877 37.60500 11.16503 43.62454 9.780252 -6.019539      14.84289 
1 1 1 -1  8  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  27 o 27.86357 9.115951 67.14648       49.97084 163.3092       72.55117 -19.64874      68.92692 41.85287 10.23602 21.29559 9.462348 20.55728       13.93959 
1 1 1 -1  8  28 o 19.84562 8.379645 6.161101       48.73319 -19.58127      70.12459 30.20647       67.77379 21.40054 9.524786 25.17582 10.17858 -3.775278      13.94005 
1 1 1 -1  8  29 o 23.62623 9.346955 31.99014       55.90309 131.1427       75.03631 -91.69498      83.80658 37.11283 11.03115 19.49291 9.262979 17.61992       14.40448 
1 1 1 -1  8  30 o 67.79658 5.517719 405.6048       63.32644 339.5712       83.33414 495.8501       97.42105 60.78903 8.240169 73.84688 7.845520 -13.05785      11.37772 
1 1 1 -1  8  31 o 21.89250 9.131817 16.85730       56.78913 -12.53498      70.37840 71.70914       96.14315 21.50860 9.559016 31.04204 12.26506 -9.533442      15.55013 
1 1 1 -1  8  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  1  o 159.8048 3.298036 2181.243       90.00093 2155.715       127.7521 2206.398       126.8142 158.8379 4.709903 160.6964 4.621254 -1.858505      6.598422 
1 1 1 -1  9  2  o 229.7931 4.280457 4511.333       167.9690 4459.474       237.7784 4562.988       237.3104 228.3985 6.096451 231.0379 6.014945 -2.639328      8.564244 
1 1 1 -1  9  3  o 331.3408 5.014494 9381.706       283.7292 9112.399       406.1499 9638.406       396.5303 326.4002 7.286751 335.7177 6.916720 -9.317505      10.04678 
1 1 1 -1  9  4  o 120.9424 2.523606 1249.171       52.11971 1215.296       73.93835 1282.628       73.48059 119.2776 3.630020 122.5390 3.511529 -3.261429      5.050533 
1 1 1 -1  9  5  o 438.5929 5.598400 16442.36       419.3025 16605.29       593.5455 16280.04       592.4228 440.5263 7.890059 436.1830 7.953551 4.343231       11.20321 
1 1 1 -1  9  6  o 370.5098 4.955571 11731.50       313.5417 12341.18       445.0106 11130.50       441.8363 379.8622 6.860288 360.7206 7.172797 19.14163       9.925349 
1 1 1 -1  9  7  o 377.5914 5.134612 12185.63       331.0789 11505.30       468.5264 12864.17       467.9069 366.6946 7.482171 387.7895 7.065803 -21.09482      10.29118 
1 1 1 -1  9  8  o 168.4844 3.272800 2424.817       94.16317 2388.633       136.8153 2457.383       129.7955 167.1813 4.792312 169.5800 4.482114 -2.398666      6.561677 
1 1 1 -1  9  9  o 438.9879 11.52609 16551.40       864.0453 16478.11       900.7839 17395.29       3056.642 437.8963 12.04613 433.2867 41.83123 4.609589       43.53115 
1 1 1 -1  9  10 o 246.4799 7.123025 5200.661       299.8113 4462.844       1005.738 5272.621       314.0917 223.0949 26.94515 248.1528 7.411998 -25.05792      27.94600 
1 1 1 -1  9  11 o 51.63396 6.528834 231.8254       56.28044 201.2533       87.92643 253.0450       73.25286 47.43710 11.05829 53.71603 8.249569 -6.278931      13.79642 
1 1 1 -1  9  12 o 489.9558 8.922327 20609.92       746.5123 20350.37       1056.159 20869.05       1055.297 485.4787 12.73964 491.6997 12.56820 -6.221039      17.89575 
1 1 1 -1  9  13 o 108.3906 5.376137 1005.502       99.50938 967.1610       141.5009 1043.017       139.9667 105.8720 7.883137 110.0200 7.494559 -4.147942      10.87714 
1 1 1 -1  9  14 o 240.9203 5.401496 4969.925       222.2232 4861.271       315.0442 5077.520       313.5035 237.9151 7.754388 243.1862 7.549212 -5.271088      10.82225 
1 1 1 -1  9  15 o 98.05849 4.902282 823.2250       82.08910 735.5437       117.4444 906.9794       114.7843 92.22010 7.523253 102.6062 6.585773 -10.38612      9.998588 
1 1 1 -1  9  16 o 306.5708 6.399561 8066.298       335.0294 8097.667       475.4366 8035.356       472.1865 306.3661 9.087616 305.1946 9.060137 1.171509       12.83241 
1 1 1 -1  9  17 o 156.0137 4.797857 2085.128       127.8239 2118.021       181.9121 2053.048       179.6497 156.9806 6.785997 154.5510 6.806954 2.429672       9.611680 
1 1 1 -1  9  18 o 345.9557 7.130440 10301.93       421.2488 9763.436       595.6082 10840.89       595.8635 335.2749 10.40298 353.5911 9.868327 -18.31622      14.33896 
1 1 1 -1  9  19 o 48.54698 7.577854 207.9346       60.76955 315.3326       101.1036 147.1881       76.03775 59.41000 10.34131 40.41255 10.80811 18.99744       14.95854 
1 1 1 -1  9  20 o 55.61149 20.56803 240.1576       258.7511 277.0020       307.7411 151.2716       477.9880 59.75741 22.36531 62.37793 26.28586 -2.620514      34.51310 
1 1 1 -1  9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  22 o 164.2284 4.135623 2311.173       115.9821 2676.630       206.6276 2143.063       140.1418 176.1807 6.867967 157.9789 5.194775 18.20184       8.611310 
1 1 1 -1  9  23 o 64.42368 5.324959 359.2682       58.05682 570.9540       87.23640 190.9721       77.78373 81.12604 6.347633 45.84155 10.19943 35.28448       12.01336 
1 1 1 -1  9  24 o 87.97764 4.338433 664.8548       65.17892 667.1869       103.0788 663.3011       84.13370 87.45741 6.959517 87.51426 5.660065 -0.5685425E-01 8.970574 
1 1 1 -1  9  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  26 o 41.88789 6.833290 156.8237       47.19329 90.11808       69.10952 215.1101       64.60113 32.21820 10.72917 48.86990 8.019230 -16.65170      13.39489 
1 1 1 -1  9  27 o 26.15269 8.397228 59.80584       42.51845 198.9319       61.01805 -71.50703      59.27995 46.85876 7.906874 16.29901 7.758284 30.55975       11.07744 
1 1 1 -1  9  28 o 56.29551 5.562933 278.8594       52.77891 255.9835       75.78525 300.4037       73.54639 52.80531 8.707952 57.72371 7.649573 -4.918404      11.59070 
1 1 1 -1  9  29 o 53.04903 5.796578 249.8267       51.65651 240.1395       76.20839 258.0607       70.26027 50.62600 9.151955 53.05184 8.004451 -2.425838      12.15852 
1 1 1 -1  9  30 o 45.66766 7.441312 191.5855       56.03250 168.1176       83.70809 210.6372       75.42194 41.10368 11.48299 46.86237 9.742565 -5.758686      15.05910 
1 1 1 -1  9  31 o 45.31404 7.705296 191.3642       57.48984 243.6029       79.89693 135.2796       82.78581 50.15290 9.679559 36.69116 11.71054 13.46173       15.19311 
1 1 1 -1  10 1  o 281.7753 4.378751 6784.094       210.6954 6788.916       298.5208 6779.308       297.4188 281.7728 6.204028 281.5745 6.185477 0.1982727      8.760713 
1 1 1 -1  10 2  o 423.6887 6.021337 15348.49       435.6540 14700.19       616.6174 15994.64       615.5994 414.3312 8.714977 432.2412 8.340076 -17.91006      12.06266 
1 1 1 -1  10 3  o 383.1268 4.961212 12545.05       324.5878 12592.57       459.9052 12497.88       458.1726 383.6681 7.019574 382.2229 7.019569 1.445190       9.927174 
1 1 1 -1  10 4  o 322.3065 5.092110 8878.930       280.2649 8836.819       392.9168 8922.547       399.8839 321.3785 7.159487 322.9250 7.251540 -1.546570      10.19034 
1 1 1 -1  10 5  o 60.24629 4.556546 311.9460       46.53130 292.5497       72.73192 325.3858       60.54262 57.98418 7.522639 61.41169 5.843542 -3.427509      9.525601 
1 1 1 -1  10 6  o 238.2063 2.869099 4846.610       116.7080 5135.242       167.4022 4573.649       162.7944 245.1542 3.998709 231.3560 4.120564 13.79823       5.741840 
1 1 1 -1  10 7  o 138.5607 3.130084 1640.061       74.06242 1697.172       129.4811 1612.289       90.29163 140.8866 5.381891 137.3657 3.849173 3.520920       6.616712 
1 1 1 -1  10 8  o 196.1807 4.959727 3290.554       166.1560 3301.929       174.1846 3175.626       553.6672 196.5069 5.190749 190.5794 17.19789 5.927460       17.96417 
1 1 1 -1  10 9  o 63.98534 3.710405 351.0400       40.36780 258.8636       71.52295 394.1290       48.90108 54.39207 7.933837 67.77082 4.246909 -13.37875      8.999001 
1 1 1 -1  10 10 o 296.5462 5.974785 7527.256       302.5635 7491.603       429.9755 7562.225       425.8333 295.4637 8.521924 296.8744 8.399723 -1.410706      11.96572 
1 1 1 -1  10 11 o 338.0537 6.543600 9791.183       377.7499 9652.107       534.8226 9929.631       533.6175 335.0470 9.347644 339.8682 9.194279 -4.821198      13.11157 
1 1 1 -1  10 12 o 285.5695 6.312210 6988.830       307.8188 6816.185       435.7862 7160.741       434.8585 281.4676 9.066572 288.5515 8.825161 -7.083954      12.65252 
1 1 1 -1  10 13 o 135.4101 4.590957 1569.116       106.1589 1421.168       148.4227 1724.077       151.9004 128.5201 6.786875 141.8005 6.273056 -13.28044      9.241910 
1 1 1 -1  10 14 o 126.0578 4.917619 1360.713       105.8587 1343.377       154.5251 1376.043       145.3127 124.8292 7.280645 126.4268 6.755188 -1.597610      9.931785 
1 1 1 -1  10 15 o 255.6944 5.760354 5606.883       251.5199 5408.606       358.0369 5800.072       353.4138 250.5238 8.369066 259.5418 7.973965 -9.018021      11.55965 
1 1 1 -1  10 16 o 74.45596 5.471240 477.9730       69.07717 393.5875       95.63244 570.0323       99.88607 67.00672 8.552749 81.06793 7.293361 -14.06121      11.24022 
1 1 1 -1  10 17 f 127.7819 4.713202 1399.192       102.8460 1334.057       146.4747 1462.530       144.4391 124.3244 6.926805 130.4326 6.484805 -6.108192      9.488588 
1 1 1 -1  10 18 o 211.8178 5.258017 3849.580       190.1895 3827.382       269.7243 3871.531       268.2190 210.6779 7.497202 211.9130 7.411908 -1.235153      10.54251 
1 1 1 -1  10 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  10 21 f 174.0412 5.329334 2601.838       158.3897 2584.616       232.3022 2616.799       216.5231 172.8554 7.869887 174.0900 7.283305 -1.234665      10.72295 
1 1 1 -1  10 22 o 318.5794 7.025535 8772.203       382.2074 9036.534       544.6035 8515.648       536.5326 321.4100 9.922453 311.8947 10.07363 9.515289       14.13977 
1 1 1 -1  10 23 o 52.12289 9.946683 246.4754       85.30364 416.4277       137.9867 141.3468       108.5261 67.27407 12.47044 40.31691 13.44602 26.95716       18.33868 
1 1 1 -1  10 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  10 25 o 53.16876 9.690678 258.7018       84.74398 160.9277       136.1538 320.5325       108.2729 42.71198 15.03461 58.75177 11.20073 -16.03980      18.74822 
1 1 1 -1  10 26 o 36.92735 9.802325 126.9900       62.84365 -12.27779      118.8130 181.0869       74.04992 28.54406 12.56523 44.02262 10.06890 -15.47857      16.10179 
1 1 1 -1  10 27 o 50.57191 8.457624 233.8987       70.46044 246.2646       144.5948 230.0479       80.68881 49.38132 15.44114 49.59284 9.874846 -0.2115173     18.32870 
1 1 1 -1  10 28 o 36.73179 9.279944 127.7977       58.22941 152.8810       91.56483 110.7657       75.45197 39.57812 12.27321 34.39865 11.19902 5.179470       16.61475 
1 1 1 -1  10 29 o 23.41807 9.372925 30.92536       56.84264 -111.4845      84.93837 146.4381       76.49780 18.66916 8.991611 38.61103 11.04479 -19.94188      14.24207 
1 1 1 -1  10 30 o 66.90963 5.838996 399.1287       66.04731 519.9961       96.95583 294.4773       90.21775 75.36127 7.639548 55.22791 9.931147 20.13336       12.52958 
1 1 1 -1  11 1  o 422.8024 5.222446 15284.39       377.0625 15506.37       534.6803 15064.77       531.8251 425.5717 7.357317 419.4576 7.424698 6.114166       10.45257 
1 1 1 -1  11 2  o 222.9341 4.011199 4247.040       152.7048 4127.580       217.4143 4363.349       214.5288 219.6770 5.795643 225.8794 5.561694 -6.202423      8.032554 
1 1 1 -1  11 3  o 170.1110 3.691430 2472.595       107.2332 2474.616       154.5132 2470.718       148.9414 170.1139 5.318923 169.9888 5.130897 0.1251373      7.390335 
1 1 1 -1  11 4  o 298.9067 3.967599 7635.310       202.5188 7930.714       288.1164 7346.821       284.7235 304.5064 5.540763 293.0689 5.689206 11.43750       7.941481 
1 1 1 -1  11 5  o 251.5373 3.670037 5406.605       157.6430 5583.762       225.7462 5237.989       220.2376 255.5241 5.173526 247.4832 5.211273 8.040939       7.343211 
1 1 1 -1  11 6  o 305.2061 10.07836 8005.125       525.2731 7779.961       546.4073 10748.08       1907.113 300.7724 10.63841 341.7805 33.09018 -41.00806      34.75825 
1 1 1 -1  11 7  o 94.05343 3.221707 755.8475       51.74432 668.7760       89.78249 799.1530       63.31770 88.18951 5.997368 96.69573 3.834563 -8.506218      7.118448 
1 1 1 -1  11 8  o 247.0876 4.083995 5219.486       172.3210 4915.468       244.8093 5518.048       242.6031 239.6087 5.983059 253.9145 5.595089 -14.30571      8.191583 
1 1 1 -1  11 9  o 68.01711 3.686430 396.6301       42.65808 314.2031       67.20905 452.2379       55.20276 60.18540 6.650462 72.57770 4.475896 -12.39230      8.016376 
1 1 1 -1  11 10 o 243.4812 4.650206 5072.326       193.3480 4879.393       334.9229 5168.763       236.7898 238.2778 8.231128 245.6641 5.644421 -7.386261      9.980529 
1 1 1 -1  11 11 o 165.2775 5.056563 2338.831       142.7154 2212.827       200.5209 2468.182       203.1653 160.5219 7.315156 169.5701 7.016144 -9.048187      10.13596 
1 1 1 -1  11 12 f 233.1246 5.681944 4658.101       226.1971 4285.578       320.6070 5027.315       319.1797 223.1008 8.415305 241.7951 7.730114 -18.69427      11.42681 
1 1 1 -1  11 13 o 50.40107 6.405386 221.4947       53.88468 194.1568       78.52079 245.8289       74.08170 46.49436 10.17249 52.76226 8.511827 -6.267906      13.26389 
1 1 1 -1  11 14 o 177.3807 5.132703 2696.711       155.4728 2518.596       220.7002 2872.176       219.0526 171.0447 7.555985 182.7594 7.018864 -11.71468      10.31297 
1 1 1 -1  11 15 o 204.1073 5.124639 3571.686       178.6174 3486.570       253.5160 3655.586       251.7000 201.2186 7.377944 206.0907 7.151923 -4.872055      10.27541 
1 1 1 -1  11 16 o 137.6078 4.968680 1623.587       116.7579 1479.150       166.3909 1763.696       163.8788 130.7914 7.480924 143.1776 6.702640 -12.38614      10.04438 
1 1 1 -1  11 17 o 106.9086 19.16140 1066.261       336.9679 1253.020       431.5999 774.6937       539.2744 114.2019 22.92788 88.58772 29.97196 25.61418       37.73600 
1 1 1 -1  11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11 19 o 284.4434 6.473618 6965.391       314.4450 6907.015       446.8968 7022.630       442.5204 282.0300 9.279188 284.4668 9.109610 -2.436829      13.00340 
1 1 1 -1  11 20 o 168.0856 5.473668 2427.857       157.1126 2290.638       223.8109 2561.174       220.6053 162.6600 8.057467 172.1548 7.504035 -9.494812      11.01060 
1 1 1 -1  11 21 o 31.72484 11.54079 74.48446       80.95170 106.8048       133.1503 55.53276       101.9597 38.98639 14.68781 32.04758 12.64070 6.938812       19.37831 
1 1 1 -1  11 22 o 119.6575 5.810574 1235.810       118.7301 1409.505       180.0994 1102.294       157.9013 126.8046 8.364141 112.0948 8.308087 14.70979       11.78911 
1 1 1 -1  11 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11 24 o 59.59179 9.315111 321.9223       91.68990 159.3251       158.7305 403.3455       112.3254 43.57402 16.11077 66.48360 10.22103 -22.90959      19.07948 
1 1 1 -1  11 25 o 40.40821 11.66586 153.9783       84.98559 192.6360       120.5668 115.8029       119.8122 44.83457 14.11308 37.69543 13.98517 7.139137       19.86867 
1 1 1 -1  11 26 o 29.99488 10.91911 72.05011       72.48351 -32.55905      108.6424 155.9677       97.30627 26.01521 11.69605 40.44501 12.67029 -14.42979      17.24337 
1 1 1 -1  11 27 o 91.84192 6.574100 748.3995       102.4230 824.0638       160.1712 696.0559       133.2203 94.05691 10.13213 87.08562 9.092295 6.971283       13.61359 
1 1 1 -1  11 28 o 34.10168 11.71064 108.6625       82.35352 226.9671       113.1507 -24.59698      120.0896 46.88218 13.43942 27.18376 12.25199 19.69842       18.18596 
1 1 1 -1  11 29 o 20.54902 9.327564 -27.79605      71.06879 10.08011       107.0411 -57.65451      95.03889 27.46689 12.01253 22.33851 10.37344 5.128380       15.87164 
1 1 1 -1  12 1  o 299.0055 4.455767 7644.806       227.5116 7668.796       323.5420 7621.341       319.9875 299.2512 6.331299 298.3308 6.281061 0.9203796      8.918356 
1 1 1 -1  12 2  o 133.1017 3.263651 1513.861       74.18040 1543.363       107.8316 1487.356       102.2080 134.3348 4.700627 131.8822 4.538336 2.452576       6.533942 
1 1 1 -1  12 3  o 52.38224 4.507773 236.3811       39.92980 244.0766       64.15749 231.5157       51.01403 52.86354 7.301991 51.67084 5.886597 1.192703       9.379291 
1 1 1 -1  12 4  o 79.12044 5.221188 538.0011       70.14740 494.1492       100.4440 579.7516       98.00771 75.47753 7.910556 81.93449 7.074098 -6.456963      10.61225 
1 1 1 -1  12 5  o 335.0072 5.046683 9603.440       288.7102 9789.738       360.5062 9270.287       482.0923 338.0456 6.245043 328.4663 8.594831 9.579285       10.62411 
1 1 1 -1  12 6  o 209.9474 4.224326 3769.658       151.4502 3978.473       258.8610 3660.981       186.7480 215.3722 7.038417 206.8034 5.288059 8.568848       8.803573 
1 1 1 -1  12 7  o 183.0534 3.429753 2864.387       107.2118 2634.701       152.9996 3085.974       150.2779 175.4371 5.107013 189.9111 4.633858 -14.47404      6.895957 
1 1 1 -1  12 8  o 231.3126 4.327614 4577.618       170.9424 4425.784       243.1337 4726.041       240.3876 227.1951 6.266779 234.8171 5.994880 -7.622009      8.672434 
1 1 1 -1  12 9  o 126.6774 3.466127 1372.053       74.98003 1357.771       111.4451 1383.864       101.3481 125.9089 5.183258 127.1500 4.667640 -1.241158      6.975172 
1 1 1 -1  12 10 o 207.4969 4.424883 3685.048       156.7889 3686.624       266.5346 3684.214       193.8827 207.0674 7.537721 207.3407 5.475862 -0.2733765     9.316775 
1 1 1 -1  12 11 o 104.7996 3.567976 939.3423       63.85333 1026.430       118.1115 903.3779       75.90133 109.1668 6.363365 102.7331 4.326504 6.433723       7.694871 
1 1 1 -1  12 12 o 224.4895 5.426724 4321.372       208.0347 4160.322       294.9849 4480.730       293.4322 219.7522 7.860762 228.1407 7.531874 -8.388489      10.88672 
1 1 1 -1  12 13 o 243.2715 5.715287 5078.783       237.4276 4807.571       336.4233 5347.908       335.1270 236.0106 8.347429 249.0664 7.879388 -13.05579      11.47886 
1 1 1 -1  12 14 o 76.83991 5.630471 509.4746       73.36671 450.7874       106.0260 563.3921       101.6262 71.67282 8.850746 80.51944 7.476323 -8.846619      11.58582 
1 1 1 -1  12 15 o 103.8218 5.105289 924.6326       90.51299 778.6130       129.9996 1062.021       126.0989 94.60033 8.126128 110.8869 6.690645 -16.28655      10.52610 
1 1 1 -1  12 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  12 18 o 42.53881 9.213543 163.0933       64.99236 194.9717       95.08195 135.1366       89.04131 46.24577 11.95308 39.16105 12.09616 7.084724       17.00568 
1 1 1 -1  12 19 o 177.7613 5.799670 2718.478       176.0526 2797.534       267.3266 2657.929       233.9502 179.4777 8.722273 175.2327 7.818190 4.245010       11.71333 
1 1 1 -1  12 20 o 205.9069 5.875422 3654.057       206.5913 3254.533       298.7464 4020.213       285.9987 193.0902 9.060260 215.2231 7.781679 -22.13290      11.94332 
1 1 1 -1  12 21 f 65.69299 8.231198 382.4278       90.31158 373.1448       143.5662 388.5068       116.1776 63.03339 13.72658 65.41133 10.77616 -2.377937      17.45120 
1 1 1 -1  12 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  12 23 o 43.50884 10.85711 177.0396       80.40694 -114.8130      125.4750 380.3989       104.7387 24.71881 11.62106 64.66084 9.792073 -39.94203      15.19650 
1 1 1 -1  12 24 o 67.00301 8.196531 402.9802       91.82797 330.0615       152.6700 444.3145       114.9448 57.44275 15.29269 69.64085 9.948199 -12.19810      18.24371 
1 1 1 -1  12 25 o 136.7330 5.517381 1628.218       128.8274 1522.288       185.6365 1726.631       178.9275 130.3173 8.386328 139.4433 7.542153 -9.125977      11.27894 
1 1 1 -1  12 26 o 47.22916 10.01620 212.0871       78.27742 319.5839       116.7469 124.2935       105.5065 56.94328 12.36071 36.93140 13.20945 20.01188       18.09080 
1 1 1 -1  12 27 o 60.33405 8.951883 339.5371       89.43417 295.4416       145.0640 366.5739       113.5899 52.31955 15.28096 61.31468 11.26366 -8.995136      18.98362 
1 1 1 -1  12 28 o 89.21600 6.395750 712.0117       96.79322 836.4853       142.4087 605.1332       131.9602 94.78696 8.902345 79.74911 9.902970 15.03786       13.31618 
1 1 1 -1  12 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13 1  o 71.72321 4.023320 441.3672       49.07827 412.3463       74.11299 464.0328       65.49712 69.05640 6.356102 73.42567 5.258444 -4.369263      8.249320 
1 1 1 -1  13 2  o 168.5579 4.629942 2431.502       133.2682 2481.727       195.0038 2387.488       182.5513 170.0732 6.714368 166.8490 6.407067 3.224197       9.280800 
1 1 1 -1  13 3  o 71.03840 4.121124 433.1351       49.77835 440.7826       69.73450 425.1898       71.07920 71.48989 5.761066 70.17628 5.988628 1.313606       8.309847 
1 1 1 -1  13 4  o 199.1135 4.216062 3391.935       143.3539 3302.730       247.0554 3437.214       176.0156 196.0714 7.378670 200.3395 5.144968 -4.268082      8.995302 
1 1 1 -1  13 5  o 181.2626 3.560359 2809.522       110.2057 2794.266       159.1728 2823.569       152.7352 180.6225 5.160539 181.5923 4.925380 -0.9697571     7.133760 
1 1 1 -1  13 6  o 140.1046 3.332286 1678.275       79.72538 1672.418       115.5210 1683.601       110.1669 139.7554 4.840503 140.2411 4.600169 -0.4857635     6.677726 
1 1 1 -1  13 7  o 276.1886 4.348793 6528.707       205.1050 6294.250       288.1976 6769.332       291.9638 270.8419 6.231213 280.9091 6.086411 -10.06717      8.710477 
1 1 1 -1  13 8  o 213.5963 3.828751 3903.120       139.6537 3744.415       199.0796 4056.887       195.9579 208.9786 5.578571 217.5716 5.274225 -8.592957      7.677103 
1 1 1 -1  13 9  o 116.9060 3.362163 1168.829       67.12088 1219.979       99.11816 1125.507       91.21953 119.3309 4.864056 114.6334 4.659879 4.697449       6.735986 
1 1 1 -1  13 10 o 238.8430 4.204631 4883.811       171.4914 4254.852       246.2632 5475.983       238.9529 222.5250 6.480654 252.6610 5.538245 -30.13605      8.524731 
1 1 1 -1  13 11 o 82.63640 3.930446 584.5197       55.46450 515.8408       114.1215 605.7592       63.46404 76.74868 8.870982 83.97911 4.441209 -7.230431      9.920618 
1 1 1 -1  13 12 o 117.7327 4.818727 1188.187       96.87941 1009.317       138.1861 1361.086       135.8599 107.9454 7.543923 125.6678 6.351495 -17.72241      9.861657 
1 1 1 -1  13 13 o 100.2495 5.048033 864.1910       86.14145 852.1424       124.7400 875.1747       119.1004 99.14037 7.421914 100.5661 6.978398 -1.425713      10.18739 
1 1 1 -1  13 14 o 200.9639 19.41823 3719.715       658.0888 3928.241       902.3961 3482.831       961.7978 200.0137 27.11950 183.9445 31.76784 16.06920       41.76916 
1 1 1 -1  13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13 16 o 73.62566 6.268634 469.8094       78.06379 401.0602       127.8691 510.6569       98.56316 66.73495 11.64398 76.51733 7.645500 -9.782379      13.92968 
1 1 1 -1  13 17 o 118.7174 5.663463 1211.727       114.8149 912.8521       164.6668 1494.508       160.1720 101.9717 9.568264 131.3838 7.166161 -29.41204      11.95431 
1 1 1 -1  13 18 o 73.60121 8.087184 475.4486       99.96873 378.6301       171.2050 525.5370       123.1420 63.43611 15.84971 77.02796 9.567807 -13.59185      18.51367 
1 1 1 -1  13 19 o 123.3944 6.012409 1314.289       126.6910 1102.455       179.5630 1524.271       178.7760 111.7435 9.500176 132.1240 7.960834 -20.38046      12.39468 
1 1 1 -1  13 20 o 81.74474 7.514860 587.1033       103.7271 547.7808       147.6727 625.3986       145.7311 77.49704 11.50820 83.32973 10.47251 -5.832687      15.55995 
1 1 1 -1  13 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13 22 o 166.4773 5.491384 2402.271       156.1129 2427.403       224.0305 2378.548       217.6611 166.0227 7.902016 164.4381 7.751332 1.584579       11.06910 
1 1 1 -1  13 23 f 91.31432 6.236750 731.3100       96.67051 649.2019       141.0457 804.0504       132.7561 84.28232 9.994642 94.83700 8.280418 -10.55468      12.97915 
1 1 1 -1  13 24 o 85.26329 6.476396 641.7768       93.59218 545.6587       137.0484 725.7800       128.1208 76.39249 10.80722 89.69485 8.464788 -13.30237      13.72766 
1 1 1 -1  13 25 o 78.73232 7.211545 555.8555       95.88063 758.3015       153.3006 425.7807       122.8813 90.08562 10.14159 66.62632 11.19755 23.45930       15.10751 
1 1 1 -1  13 26 o 71.22601 7.354806 459.3246       88.16865 439.0201       130.0264 476.6068       119.9597 66.77930 11.83546 70.78956 10.21943 -4.010254      15.63697 
1 1 1 -1  13 27 o 33.05994 11.65376 102.0121       81.83279 114.3513       137.0868 95.18098       101.9997 36.55667 14.58163 33.33208 12.78390 3.224590       19.39206 
1 1 1 -1  13 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14 1  o 53.38857 5.865841 247.4193       52.59709 287.8236       68.12096 187.7737       82.76685 57.43626 7.096238 45.63737 10.79016 11.79889       12.91449 
1 1 1 -1  14 2  o 173.4320 4.059970 2574.049       120.2414 2477.370       153.6359 2726.879       193.1662 170.0090 5.291987 178.2146 6.347255 -8.205521      8.263944 
1 1 1 -1  14 3  o 321.4196 5.497524 8858.429       301.7459 8754.879       509.5458 8914.354       374.4669 318.2541 9.375778 322.0694 6.808668 -3.815308      11.58720 
1 1 1 -1  14 4  o 99.63692 3.863512 849.4663       65.73618 800.3686       98.74796 888.5394       88.09194 96.38055 6.030132 101.8240 5.066219 -5.443481      7.875854 
1 1 1 -1  14 5  o 142.1557 3.640366 1728.826       88.37132 1675.447       130.1543 1774.482       120.3702 139.7740 5.452935 143.9065 4.898201 -4.132538      7.329862 
1 1 1 -1  14 6  f 82.26456 3.804160 579.0969       53.44086 547.5847       78.96053 605.7322       72.59384 79.66556 5.844930 83.91001 5.090284 -4.244453      7.750754 
1 1 1 -1  14 7  o 129.9310 3.379583 1444.045       74.98560 1487.553       108.9690 1404.912       103.3456 131.7488 4.843446 128.0482 4.726250 3.700653       6.767304 
1 1 1 -1  14 8  o 222.5598 3.846757 4239.543       146.1987 4174.746       206.3195 4304.893       207.1956 220.5781 5.477421 224.0020 5.416599 -3.423965      7.703355 
1 1 1 -1  14 9  o 229.1649 3.983632 4496.226       155.8940 4451.036       223.8998 4538.747       217.1882 227.6740 5.758882 229.9568 5.530799 -2.282791      7.984639 
1 1 1 -1  14 10 o 126.5583 3.249074 1370.159       70.21860 1303.352       103.3373 1427.466       95.70901 123.2858 4.908424 129.0825 4.341937 -5.796715      6.553247 
1 1 1 -1  14 11 o 61.21522 14.64010 345.2888       150.9769 462.2179       185.4921 115.7857       259.8713 70.67966 15.76900 49.00631 19.88992 21.67336       25.38248 
1 1 1 -1  14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14 14 f 47.99032 9.210368 206.4713       72.73526 203.8538       114.1212 208.2620       94.39107 47.35096 13.47121 47.80082 11.66616 -0.4498596     17.82057 
1 1 1 -1  14 15 o 52.95864 7.295002 246.6071       64.22177 271.0691       100.1244 229.5080       83.71040 54.69140 11.09985 50.44840 10.06969 4.243000       14.98684 
1 1 1 -1  14 16 o 36.92015 10.53373 122.5971       69.67519 105.5553       93.51343 143.8641       104.4648 36.02759 12.47279 40.63388 13.17444 -4.606289      18.14211 
1 1 1 -1  14 17 o 101.9827 6.057088 900.4796       105.0119 800.6434       154.2176 986.7905       143.3913 95.12550 9.626202 106.2555 7.960435 -11.13004      12.49129 
1 1 1 -1  14 18 o 96.73924 6.187867 812.9251       101.6868 592.7795       148.8978 1005.341       139.2047 80.95889 11.05943 107.1595 7.657585 -26.20058      13.45175 
1 1 1 -1  14 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14 20 o 139.7846 5.940059 1695.639       141.7921 1718.352       206.2138 1675.270       195.2811 139.1882 8.719896 137.6406 8.347741 1.547577       12.07151 
1 1 1 -1  14 21 o 82.12331 7.057819 595.3266       98.01636 695.2678       135.5761 485.8906       141.8702 87.85001 9.172584 71.95841 11.96555 15.89159       15.07683 
1 1 1 -1  14 22 o 34.80431 11.10284 110.9973       74.42368 181.1437       111.4048 54.45991       100.0159 43.35574 13.55306 30.88200 12.40720 12.47374       18.37455 
1 1 1 -1  14 23 o 32.26677 11.09479 92.11081       73.93108 112.6181       111.4417 75.99097       98.80402 36.36557 13.48859 32.32021 12.53176 4.045364       18.41160 
1 1 1 -1  14 24 o 37.59398 11.11146 137.0578       76.29771 122.8496       114.2302 148.5021       102.5197 36.94255 13.66548 39.04253 13.06884 -2.099983      18.90872 
1 1 1 -1  14 25 o 29.94491 11.38865 71.13336       80.52625 85.82616       135.6660 63.14102       100.0589 34.90895 14.29299 30.76155 12.39186 4.147402       18.91687 
1 1 1 -1  14 26 f 30.04683 11.10752 77.83150       75.44430 1.315722       112.8371 139.6912       101.4566 27.47246 12.16162 37.41287 12.98949 -9.940413      17.79415 
1 1 1 -1  15 1  o 150.8330 4.326746 1948.600       111.4448 1803.206       191.3980 2023.178       137.0789 144.3884 7.791372 153.5822 5.226701 -9.193878      9.382104 
1 1 1 -1  15 2  f 173.7139 5.279671 2588.676       156.6186 2436.519       224.4164 2733.154       218.6794 168.0628 7.819539 178.1403 7.188591 -10.07750      10.62172 
1 1 1 -1  15 3  o 80.01613 4.274570 549.9289       58.19655 569.1232       89.75833 536.0076       76.44104 81.08966 6.537522 78.80783 5.719038 2.281830       8.686000 
1 1 1 -1  15 4  o 186.2211 3.593153 2967.570       114.2633 3059.194       165.1948 2883.524       158.2163 188.8565 5.122271 183.3651 5.052806 5.491409       7.195033 
1 1 1 -1  15 5  o 102.8147 3.304238 904.3113       58.01339 862.1499       90.27732 933.9693       75.71663 100.0999 5.300209 104.4216 4.246185 -4.321739      6.791340 
1 1 1 -1  15 6  o 207.2280 3.734088 3675.896       132.1402 3481.792       188.6403 3862.898       185.1574 201.3894 5.485242 212.2010 5.109657 -10.81154      7.496431 
1 1 1 -1  15 7  o 117.9534 11.18030 1225.467       222.5094 1221.211       285.8786 1232.007       354.3994 116.4807 14.69960 115.2884 18.63726 1.192215       23.73659 
1 1 1 -1  15 8  o 185.3923 13.47359 3049.740       423.6408 3010.605       506.4601 3140.922       773.0579 182.5459 16.42272 179.5332 25.96991 3.012650       30.72689 
1 1 1 -1  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  15 11 o 178.5201 4.081192 2730.225       124.4159 2787.149       227.7080 2705.999       148.5501 179.6809 7.421205 177.5957 4.898223 2.085236       8.891955 
1 1 1 -1  15 12 o 29.45618 6.770211 77.76164       33.34133 132.0735       89.94492 69.10993       35.89882 38.82916 12.18445 27.80602 7.421769 11.02314       14.26687 
1 1 1 -1  15 13 o 62.39962 6.771523 339.6916       70.99762 494.9251       120.6346 257.4295       87.81705 74.77308 9.674516 53.50310 9.978726 21.26998       13.89861 
1 1 1 -1  15 14 o 79.00642 6.326768 541.7332       84.64231 459.2967       115.6797 636.7238       124.1760 71.89612 9.667129 85.13140 8.662415 -13.23528      12.98040 
1 1 1 -1  15 15 f 191.0673 5.599810 3145.905       182.7097 3260.079       262.2578 3038.225       254.6895 193.6122 7.932203 186.8875 7.980479 6.724686       11.25202 
1 1 1 -1  15 16 o 32.98330 11.76570 85.96848       83.65047 -75.71199      114.9087 268.2487       122.0096 25.22267 11.60307 53.39558 13.40175 -28.17291      17.72677 
1 1 1 -1  15 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  15 18 o 100.7358 6.439320 886.0522       110.1916 943.6541       153.3774 824.6054       158.4135 103.0030 8.804458 95.77119 9.825400 7.231766       13.19307 
1 1 1 -1  15 19 o 72.34740 7.721415 465.4085       93.92048 333.6864       129.0073 613.9582       137.0000 58.93890 13.15153 82.20219 9.963199 -23.26330      16.49933 
1 1 1 -1  15 20 o 116.8962 5.673988 1188.923       113.2637 1201.254       164.8949 1177.907       155.8459 115.9655 8.383241 115.0646 7.980761 0.9008942      11.57460 
1 1 1 -1  15 21 o 20.48033 9.590490 -72.54810      84.03383 -151.0035      128.2444 -13.51434      111.2441 23.43521 11.22463 27.35013 12.09304 -3.914913      16.49951 
1 1 1 -1  15 22 o 27.14084 11.01913 38.87420       79.78846 -18.78092      109.2823 104.6949       116.7648 26.57829 11.85526 35.77170 13.68779 -9.193413      18.10809 
1 1 1 -1  15 23 o 22.01739 9.933293 -26.34014      79.16449 -36.62804      108.1861 -14.48213      116.1486 25.26651 11.48411 27.33215 12.20454 -2.065639      16.75815 
1 1 1 -1  15 24 o 24.19146 10.43783 8.264468       78.57888 -199.8226      134.9639 114.9753       96.64941 22.25424 10.86016 35.11200 12.63392 -12.85777      16.66010 
1 1 1 -1  15 25 o 24.65739 10.36470 23.98453       74.01789 37.20882       111.2256 13.47291       99.16388 29.37053 12.54007 26.68600 11.61938 2.684532       17.09571 
1 1 1 -1  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  16 7  o 115.3143 3.713538 1138.541       73.12618 1014.669       113.1239 1227.459       95.84321 108.4308 6.134573 119.6333 4.691451 -11.20255      7.722868 
1 1 1 -1  16 8  o 165.8113 3.663669 2354.126       103.7367 2319.535       151.3693 2384.760       142.4483 164.3176 5.394509 166.6828 5.004546 -2.365189      7.358410 
1 1 1 -1  16 9  o 79.60357 4.195392 544.6035       56.82909 418.8019       102.5599 600.3426       68.26761 68.90014 8.926603 83.50680 4.807612 -14.60666      10.13890 
1 1 1 -1  16 10 o 189.3912 3.700616 3072.175       119.6839 3208.598       178.6574 2961.108       161.2024 193.2075 5.414959 185.6798 5.083992 7.527740       7.427567 
1 1 1 -1  16 11 o 48.15669 5.128832 201.5335       41.52808 373.9708       114.0694 175.1867       44.58789 64.46020 10.74072 44.70746 5.990977 19.75274       12.29857 
1 1 1 -1  16 12 o 21.97344 7.621937 37.82922       34.92839 201.0342       87.46744 6.866303       38.09786 46.81622 11.10804 18.03084 7.496771 28.78538       13.40112 
1 1 1 -1  16 13 o 89.00619 4.360896 680.5756       66.28233 744.8256       132.4294 659.1005       76.56234 91.95654 8.530477 87.33626 5.156427 4.620277       9.967837 
1 1 1 -1  16 14 o 65.31581 7.854454 377.5604       85.84997 246.1064       129.0136 482.0260       115.0099 50.97137 14.26139 73.40503 9.390257 -22.43366      17.07525 
1 1 1 -1  16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  16 16 o 102.0108 6.371507 908.3885       110.4359 749.7995       173.2253 1016.983       143.3437 90.42868 11.47602 107.3550 7.873986 -16.92629      13.91757 
1 1 1 -1  16 17 o 113.9619 5.975335 1132.415       115.8798 1122.717       178.8896 1139.426       152.1065 111.7508 9.463051 113.4428 7.901118 -1.692017      12.32790 
1 1 1 -1  16 18 o 97.42604 6.347397 832.8099       105.0254 950.3399       164.6362 752.1618       136.3792 102.4457 9.519737 91.41803 8.846669 11.02767       12.99573 
1 1 1 -1  16 19 o 124.5479 6.075941 1356.381       129.2266 1213.995       188.9236 1481.576       177.1520 115.4374 9.672970 128.7800 8.096779 -13.34254      12.61444 
1 1 1 -1  16 20 o 48.06151 10.70469 221.3783       85.60352 277.5352       117.6632 158.2300       124.7727 52.71933 13.12166 40.81282 14.38968 11.90652       19.47411 
1 1 1 -1  16 21 o 34.05725 11.71394 107.1369       82.41578 -56.39777      112.7153 295.0112       120.8125 24.90347 11.46940 53.83649 13.23445 -28.93301      17.51279 
1 1 1 -1  16 22 o 39.65574 11.69312 156.5231       84.58325 123.5409       116.0255 193.9328       123.5680 36.72304 13.73505 43.20705 14.34464 -6.484013      19.86002 
1 1 1 -1  16 23 o 56.29737 10.59099 309.9323       98.08158 361.2847       146.5352 268.2527       132.0149 57.54362 14.82171 49.60224 14.60329 7.941380       20.80719 
1 1 1 -1  16 24 o 19.63100 9.248158 -67.34258      80.20030 -20.87820      108.5361 -123.2258      119.0295 25.59407 11.58118 22.46148 10.77291 3.132593       15.81706 
1 1 1 -1  17 1  o 72.77141 4.953396 456.6394       61.18908 512.2196       99.89108 423.2590       77.41283 76.58149 7.744837 69.78035 6.573963 6.801140       10.15872 
1 1 1 -1  17 2  o 147.3726 4.449433 1862.411       111.9756 1696.324       212.0057 1926.670       131.8698 139.4667 8.948974 149.7831 5.155615 -10.31641      10.32785 
1 1 1 -1  17 3  o 101.3171 5.008070 881.3080       86.64731 832.4509       113.0105 950.9952       134.9683 98.01563 6.793750 104.6065 7.607745 -6.590828      10.19965 
1 1 1 -1  17 4  o 93.65014 4.413931 752.1195       70.58881 588.9500       112.5426 857.9417       90.63289 82.05910 8.138694 99.78134 5.338408 -17.72224      9.733290 
1 1 1 -1  17 5  o 117.7258 3.940771 1187.633       79.22364 1231.508       120.6756 1154.401       105.0258 119.6122 5.908023 115.8974 5.306650 3.714821       7.941365 
1 1 1 -1  17 6  o 83.63727 5.988581 605.5317       84.96539 608.5069       140.3073 603.8089       106.7680 82.81371 10.13285 83.17358 7.601181 -0.3598709     12.66699 
1 1 1 -1  17 7  o 159.1625 3.702258 2170.740       100.6258 2175.892       148.1773 2166.331       137.0822 159.0186 5.456721 158.7556 5.056504 0.2630463      7.439357 
1 1 1 -1  17 8  o 50.03794 5.366983 217.9133       45.14373 273.8546       79.64865 191.4370       54.79504 55.42461 8.702040 46.50861 7.126437 8.916004       11.24774 
1 1 1 -1  17 9  o 78.25816 4.093918 527.0178       54.52037 557.4957       96.71989 512.8231       66.00656 79.87169 7.167502 77.03792 5.045290 2.833771       8.765161 
1 1 1 -1  17 10 o 67.62721 4.739198 395.3586       54.38452 328.7629       101.6695 422.0518       64.36753 60.23422 10.25152 69.74986 5.447295 -9.515644      11.60891 
1 1 1 -1  17 11 o 71.60870 4.750401 443.4440       57.75977 516.3716       117.6460 420.2823       66.30055 76.04523 9.249999 69.52417 5.632855 6.521057       10.83012 
1 1 1 -1  17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  17 13 o ?        ?        -275.6030      16.00706 0.000000       0.000000 -275.6030      16.00706 ?        ?        ?        ?        0.000000       ?        
1 1 1 -1  17 14 o 47.82622 9.829110 211.1723       77.59179 253.7208       117.2776 178.0488       103.4764 51.38721 13.27176 43.43141 12.96426 7.955803       18.55294 
1 1 1 -1  17 15 o 23.41984 10.45252 -25.10711      85.08400 -97.16258      130.0982 28.74550       112.4712 25.86288 12.05219 30.41208 12.77967 -4.549204      17.56631 
1 1 1 -1  17 16 o 22.79335 10.03183 -12.27527      75.70098 317.3536       131.2401 -176.6302      92.67129 56.83797 13.68543 17.87613 8.780628 38.96184       16.26008 
1 1 1 -1  17 17 o 66.95612 8.053974 404.1828       90.24053 497.1222       147.7630 348.9010       113.9612 71.93176 12.48201 60.56738 11.43757 11.36438       16.92981 
1 1 1 -1  17 18 o 126.2431 5.575582 1393.133       120.1987 1457.838       174.5769 1334.813       165.7403 127.3162 8.071486 121.8543 8.009618 5.461914       11.37114 
1 1 1 -1  17 19 o 56.63242 9.446772 301.1485       88.14050 40.10027       145.5768 452.2243       110.7463 33.14563 14.25406 69.54977 9.578751 -36.40414      17.17355 
1 1 1 -1  17 20 o 46.45445 10.91219 212.1148       85.09276 137.4037       141.1670 254.7531       106.6450 38.80576 14.99805 50.09340 12.50560 -11.28764      19.52771 
1 1 1 -1  17 21 o 58.86546 10.17610 334.0622       98.59187 480.5795       148.0196 217.2234       132.1808 68.45529 13.14003 44.94796 14.83200 23.50734       19.81536 
1 1 1 -1  17 22 o 29.17288 11.46932 65.00768       83.68300 276.4308       114.6376 -176.1678      122.4384 51.02672 13.09166 21.23732 10.35950 29.78940       16.69463 
1 1 1 -1  18 1  o 124.4941 3.946284 1329.878       83.89560 1188.730       126.9651 1439.271       111.7740 117.0727 6.374794 129.3081 5.061893 -12.23539      8.140071 
1 1 1 -1  18 2  o 73.59314 4.674384 467.5150       58.43929 569.3619       97.47891 410.3729       73.01540 80.69909 7.147541 68.61246 6.302186 12.08662       9.529160 
1 1 1 -1  18 3  o 28.29185 8.907597 69.54234       48.02639 71.05538       131.0567 69.30763       51.61710 35.83350 14.26859 28.49113 9.262156 7.342363       17.01118 
1 1 1 -1  18 4  o 66.67259 6.310337 387.9881       70.99113 295.2002       94.73458 506.8289       107.2126 57.05194 10.09309 75.69729 8.437562 -18.64535      13.15534 
1 1 1 -1  18 5  o 147.6330 3.763023 1870.392       94.86852 1670.458       139.8163 2040.976       129.1467 139.0126 5.889815 153.9454 4.912638 -14.93279      7.669676 
1 1 1 -1  18 6  o 103.6409 3.992855 922.6290       70.66698 845.2364       112.3126 973.3469       90.91991 98.44620 6.720953 106.2698 5.010107 -7.823647      8.382862 
1 1 1 -1  18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  18 10 o 30.63815 8.015963 85.54804       42.42207 152.4624       92.51134 67.73087       47.73695 40.52875 12.29454 27.84910 8.892983 12.67965       15.17369 
1 1 1 -1  18 11 o 13.84933 6.383722 -26.25876      35.01890 -0.8236191     122.1522 -28.53638      36.55320 29.70645 12.91520 14.05280 6.493089 15.65364       14.45554 
1 1 1 -1  18 12 o 33.29594 8.455174 102.0547       48.16401 221.9384       132.2446 83.72093       51.71589 47.74925 14.74024 30.41489 9.184734 17.33436       17.36762 
1 1 1 -1  18 13 o 27.47674 8.564034 67.30605       44.51899 166.2739       158.8861 58.87423       46.37668 43.37571 16.10252 26.25839 8.789880 17.11733       18.34539 
1 1 1 -1  18 14 o 47.11615 11.44852 212.8199       91.20675 498.6554       138.1745 -7.885504      121.4161 72.72700 11.50883 28.88299 12.70856 43.84401       17.14528 
1 1 1 -1  18 15 o 68.54025 7.864812 423.5020       90.38589 455.1347       148.4498 404.8668       113.9403 68.04148 13.25281 65.68778 10.51207 2.353699       16.91569 
1 1 1 -1  18 16 o 57.98060 9.066526 311.7127       86.82862 370.7010       144.1654 278.1345       108.7695 60.17898 14.24896 53.07939 12.24885 7.099586       18.79008 
1 1 1 -1  18 17 o 48.79781 10.65871 230.9633       86.33308 298.2617       119.4897 157.4619       124.8752 54.16247 13.06906 40.18293 14.37104 13.97954       19.42491 
1 1 1 -1  18 18 o 25.88119 10.51196 36.83976       72.64442 -23.88005      111.1225 82.15606       95.99839 26.16208 11.78914 32.05416 12.37379 -5.892075      17.09077 
1 1 1 -1  18 19 o 23.85355 10.15119 14.94286       72.45309 182.4044       110.2156 -112.4966      96.14738 41.89192 13.52699 20.15759 9.671713 21.73433       16.62894 
1 1 1 -1  18 20 o 19.04651 8.905325 -54.29449      71.97794 152.9400       110.0586 -209.1752      95.14627 38.51864 13.52013 16.91533 8.413347 21.60331       15.92414 
1 1 1 -1  19 1  o 210.0666 4.031214 3795.678       144.6088 3795.391       210.3943 3795.935       199.0892 209.1883 5.889720 209.3763 5.568244 -0.1880035     8.105192 
1 1 1 -1  19 2  o 95.21933 4.165151 780.3107       67.72638 680.5463       102.3697 857.9672       90.31761 88.08191 6.859957 99.45597 5.337392 -11.37406      8.691764 
1 1 1 -1  19 3  o 48.17781 6.679154 205.8788       53.47214 99.10282       89.36256 265.4335       66.73859 34.51069 12.17672 54.62447 7.340419 -20.11378      14.21809 
1 1 1 -1  19 4  f 114.7990 3.877268 1133.293       76.00912 1078.683       117.7278 1172.329       99.53444 111.2142 6.223910 116.4845 5.003839 -5.270271      7.985954 
1 1 1 -1  19 5  o 14.14220 6.723664 -54.02027      44.26224 20.81750       87.43742 -79.80536      51.32409 27.06029 11.31298 14.30780 6.915420 12.75249       13.25920 
1 1 1 -1  19 6  o 68.97781 4.745768 412.8167       55.56063 543.6914       98.95758 352.5675       67.14240 78.35192 7.487153 63.32590 6.292198 15.02602       9.780042 
1 1 1 -1  19 7  o 35.87559 7.972790 117.8156       47.57666 94.66396       90.12373 126.7603       56.01840 33.92238 12.20057 37.03284 8.956170 -3.110455      15.13496 
1 1 1 -1  19 8  o 33.85773 8.432196 105.6359       48.56861 6.543059       81.52274 160.1609       60.47215 25.07179 10.72105 41.70472 8.769359 -16.63293      13.85073 
1 1 1 -1  19 9  o 34.12629 8.316144 107.4574       48.01973 145.1562       97.88479 95.50918       55.10644 39.43798 12.74925 32.23139 9.419568 7.206593       15.85155 
1 1 1 -1  19 10 o 17.49614 7.935089 -26.07867      51.29435 296.8853       158.3016 -63.96629      54.21967 53.89291 16.02323 15.66697 7.446558 38.22594       17.66905 
1 1 1 -1  19 11 o 72.57004 4.995426 459.2297       61.52880 709.3638       137.2773 396.3477       68.82962 88.25686 9.245785 67.05279 6.077165 21.20407       11.06420 
1 1 1 -1  19 12 o 47.93723 6.758205 206.3091       53.78787 78.03596       138.7644 228.9898       58.34970 35.44537 14.47734 50.47865 6.953634 -15.03327      16.06071 
1 1 1 -1  19 13 o 67.05051 5.504405 395.6572       62.46913 342.4085       145.5268 407.6855       69.16576 57.44344 14.75704 67.86888 6.030693 -10.42545      15.94175 
1 1 1 -1  19 14 o 91.44424 6.515954 744.1701       101.0850 832.6418       161.8259 687.5607       129.4463 94.07073 10.23912 86.38843 8.902218 7.682304       13.56794 
1 1 1 -1  19 15 o 80.77899 7.359259 589.9861       100.4023 711.7118       180.6536 535.5830       120.7724 84.25809 12.97160 75.51758 9.580729 8.740517       16.12615 
1 1 1 -1  19 16 o 25.38700 10.62217 25.75573       77.17472 14.80070       134.0344 31.18881       94.39148 30.41304 13.36787 27.70036 11.67736 2.712681       17.74995 
1 1 1 -1  19 17 o 70.19389 7.470927 450.5975       88.17574 548.0256       133.1438 374.4846       117.6814 75.05846 10.68974 61.12060 11.70123 13.93786       15.84895 
1 1 1 -1  19 18 o 53.89902 9.321465 279.4239       82.69127 360.1343       125.0350 216.6804       110.2430 58.59914 12.84902 44.86112 13.37926 13.73802       18.54999 
1 1 1 -1  20 1  o 118.3818 3.882921 1207.802       78.49558 1342.761       119.9662 1106.767       103.7995 124.1744 5.657505 112.8384 5.386868 11.33598       7.811895 
1 1 1 -1  20 2  o 85.28062 4.502900 630.5377       65.34349 583.8560       106.1094 659.0551       82.93452 80.84356 7.782251 86.83006 5.623450 -5.986504      9.601386 
1 1 1 -1  20 3  o 69.01507 4.756733 414.3933       55.71790 261.3111       91.51897 504.5507       70.23435 52.71332 10.53531 75.97438 5.449735 -23.26106      11.86138 
1 1 1 -1  20 4  o 81.86346 4.409316 581.0139       61.41281 368.1962       94.16535 738.5325       81.01273 63.53063 8.925971 92.07163 5.173555 -28.54100      10.31691 
1 1 1 -1  20 5  o 93.08420 4.208489 748.5356       66.89661 715.5939       106.1601 770.2314       86.15425 89.86139 6.972688 93.92735 5.393970 -4.065956      8.815514 
1 1 1 -1  20 6  o 157.1326 4.289833 2135.051       115.1089 2141.898       208.3485 2132.043       138.0989 154.8919 7.903275 156.5794 5.164803 -1.687454      9.441236 
1 1 1 -1  20 7  o 156.4969 3.975791 2115.229       106.2506 2136.277       164.5262 2100.171       139.1609 156.0240 6.175067 155.2839 5.247940 0.7400513      8.103847 
1 1 1 -1  20 8  o 23.29501 9.064499 34.08772       51.83601 45.89885       105.7216 30.34968       59.47566 30.39019 12.54965 23.88884 9.578273 6.501352       15.78724 
1 1 1 -1  20 9  o 109.7748 4.221806 1043.943       79.14124 1148.865       145.3943 999.7682       94.34192 113.1535 7.568139 107.0467 5.160946 6.106773       9.160354 
1 1 1 -1  20 10 o 88.16124 4.509857 677.1594       67.66845 797.2128       140.9024 641.1695       77.14745 93.04688 8.979290 85.44969 5.313310 7.597191       10.43355 
1 1 1 -1  20 11 o 40.16766 8.279605 151.0837       54.90412 354.9054       137.5638 112.4641       59.88017 58.43503 13.97428 34.27347 9.760664 24.16156       17.04556 
1 1 1 -1  20 12 o 58.33445 8.626857 316.7421       83.34486 0.000000       0.000000 316.7421       83.34486 ?        ?        58.33445 8.626857 0.000000       8.626857 
1 1 1 -1  20 13 o 84.21925 5.007644 623.0705       71.69445 910.1205       196.2226 578.8463       77.01949 95.73328 12.28638 80.87603 5.611436 14.85725       13.50716 
1 1 1 -1  20 14 o 23.39970 10.22909 1.081591       77.53837 44.01474       143.4054 -16.65524      92.17374 32.44526 14.04965 24.12010 10.81385 8.325167       17.72942 
1 1 1 -1  20 15 o 25.17196 10.76662 19.11764       82.25480 -5.143793      173.4796 26.15382       93.42404 31.93204 14.52477 26.88193 11.48556 5.050108       18.51721 
1 1 1 -1  20 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  21 1  o 30.62417 9.026117 87.80400       50.40902 49.62721       87.10383 107.0291       61.81183 28.67439 11.55806 33.56435 10.02011 -4.889959      15.29677 
1 1 1 -1  21 2  o 37.23851 8.300000 129.9988       51.43221 291.1636       88.16293 46.85295       63.32444 55.52737 9.647849 25.98486 10.04447 29.54251       13.92740 
1 1 1 -1  21 3  o 85.51579 4.470326 637.2805       65.05436 653.1911       104.0024 627.0542       83.37975 85.22738 7.213699 84.23256 5.832566 0.9948196      9.276653 
1 1 1 -1  21 4  o 37.73914 7.810533 132.5006       48.67667 52.95100       94.53604 161.1998       56.78236 29.57406 11.99875 41.53174 8.296600 -11.95768      14.58779 
1 1 1 -1  21 5  o 25.60059 8.932997 55.82950       48.01218 -73.01759      93.67139 101.7418       55.91579 21.58736 10.11418 32.71045 9.468152 -11.12309      13.85434 
1 1 1 -1  21 6  o 81.72473 4.951607 585.6828       68.77767 424.4767       114.4934 676.6987       86.02966 66.57635 10.41174 87.45151 5.793565 -20.87515      11.91511 
1 1 1 -1  21 7  f 62.51305 6.728601 351.9367       70.69722 223.2196       188.4085 373.0301       76.27027 45.63800 17.40514 64.20685 7.073565 -18.56885      18.78761 
1 1 1 -1  21 8  o 136.2502 4.000071 1610.568       93.06934 1868.975       157.3068 1471.400       115.4419 145.0375 6.351337 129.5118 5.219779 15.52568       8.221045 
1 1 1 -1  21 9  o 72.45301 5.179401 462.8721       63.65976 462.0075       139.0867 463.1012       71.59963 67.62418 12.50490 72.15363 5.861669 -4.529449      13.81056 
1 1 1 -1  21 10 o 86.31262 4.504195 651.9887       66.15842 646.9532       121.0862 654.1317       78.99127 83.34776 8.632590 85.99687 5.406431 -2.649109      10.18583 
1 1 1 -1  21 11 f 30.11566 9.699222 86.13966       56.69276 -31.18674      137.4164 110.2057       62.23616 28.04243 12.82182 33.55170 10.06309 -5.509275      16.29923 
1 1 1 -1  21 12 o 35.80069 9.105819 124.9048       55.79876 268.5035       154.9781 103.5175       59.80986 47.79937 16.06790 32.53016 9.889449 15.26921       18.86740 
1 1 1 -1  22 1  o 32.09629 8.749411 98.77370       49.27044 143.9128       91.65672 80.42921       58.43065 37.71510 12.34632 29.43685 9.866220 8.278250       15.80424 
1 1 1 -1  22 2  o 21.77086 8.854519 23.87272       51.63116 -28.55086      90.16551 49.44893       62.97892 23.13223 10.50249 25.92427 10.01816 -2.792044      14.51434 
1 1 1 -1  22 3  o 33.56930 8.981131 108.7657       52.49279 -25.43720      92.49063 172.5342       63.75583 23.58718 10.68038 42.33092 9.091180 -18.74375      14.02569 
1 1 1 -1  22 4  o 38.88255 8.568630 144.6662       55.36031 8.520389       96.25827 211.9557       67.67208 26.04076 11.39005 47.19779 8.717388 -21.15704      14.34315 
1 1 1 -1  22 5  o 27.90337 9.075574 72.62146       49.55614 181.0775       92.44058 28.88227       58.70447 41.70949 12.20304 23.18039 9.436240 18.52910       15.42585 
1 1 1 -1  22 6  o 55.71928 6.311433 280.9808       58.99392 223.7981       120.1250 299.1558       67.72340 45.10805 14.06904 57.10098 7.098526 -11.99293      15.75839 
1 1 1 -1  22 7  f 76.85742 4.888408 521.3000       63.82521 472.5522       112.1331 544.6622       77.62690 70.02636 9.632131 78.01600 5.869770 -7.989639      11.27972 
1 1 1 0   0  1  o 4.382809 2.809211 0.1509776      4.753246 0.1509776      4.753246 0.1509776      4.753246 4.382809 2.809211 4.382809 2.809211 0.000000       0.000000 
1 1 1 0   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  3  o 85.83212 3.730577 632.7383       54.44489 632.7383       54.44489 632.7383       54.44489 85.83212 3.730577 85.83212 3.730577 0.000000       0.000000 
1 1 1 0   0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  5  o 225.1342 5.232809 4336.728       200.9315 4336.728       200.9315 4336.728       200.9315 225.1342 5.232809 225.1342 5.232809 0.000000       0.000000 
1 1 1 0   0  6  o 145.6312 4.243202 1816.089       105.3210 1816.089       105.3210 1816.089       105.3210 145.6312 4.243202 145.6312 4.243202 0.000000       0.000000 
1 1 1 0   0  7  o 258.0886 5.743083 5700.400       252.8308 5700.400       252.8308 5700.400       252.8308 258.0886 5.743083 258.0886 5.743083 0.000000       0.000000 
1 1 1 0   0  8  o 388.1498 7.412566 12901.19       490.9220 12901.19       490.9220 12901.19       490.9220 388.1498 7.412566 388.1498 7.412566 0.000000       0.000000 
1 1 1 0   0  9  o 130.4312 3.321701 1455.936       73.87661 1455.936       73.87661 1455.936       73.87661 130.4312 3.321701 130.4312 3.321701 0.000000       0.000000 
1 1 1 0   0  10 o 377.3388 5.801409 12177.04       373.6246 12177.04       373.6246 12177.04       373.6246 377.3388 5.801409 377.3388 5.801409 0.000000       0.000000 
1 1 1 0   0  11 o 273.5571 5.065144 6399.218       236.4317 6399.218       236.4317 6399.218       236.4317 273.5571 5.065144 273.5571 5.065144 0.000000       0.000000 
1 1 1 0   0  12 o 471.4999 8.920691 19025.19       717.6806 19025.19       717.6806 19025.19       717.6806 471.4999 8.920691 471.4999 8.920691 0.000000       0.000000 
1 1 1 0   0  13 o 150.8141 4.037368 1946.684       103.8097 1946.684       103.8097 1946.684       103.8097 150.8141 4.037368 150.8141 4.037368 0.000000       0.000000 
1 1 1 0   0  14 o 749.2431 13.82934 48131.14       1768.041 48131.14       1768.041 48131.14       1768.041 749.2431 13.82934 749.2431 13.82934 0.000000       0.000000 
1 1 1 0   0  15 o 212.7384 5.189356 3873.039       188.2683 3873.039       188.2683 3873.039       188.2683 212.7384 5.189356 212.7384 5.189356 0.000000       0.000000 
1 1 1 0   0  16 o 101.2909 4.534455 881.6601       78.07496 881.6601       78.07496 881.6601       78.07496 101.2909 4.534455 101.2909 4.534455 0.000000       0.000000 
1 1 1 0   0  17 o 85.08243 4.653675 623.9888       67.15187 623.9888       67.15187 623.9888       67.15187 85.08243 4.653675 85.08243 4.653675 0.000000       0.000000 
1 1 1 0   0  18 o 264.6836 5.211458 5994.417       235.3468 5994.417       235.3468 5994.417       235.3468 264.6836 5.211458 264.6836 5.211458 0.000000       0.000000 
1 1 1 0   0  19 f 45.50658 9.248349 197.7321       63.60669 197.7321       63.60669 197.7321       63.60669 45.50658 9.248349 45.50658 9.248349 0.000000       0.000000 
1 1 1 0   0  20 o 29.82236 12.18241 106.6556       61.07623 106.6556       61.07623 106.6556       61.07623 29.82236 12.18241 29.82236 12.18241 0.000000       0.000000 
1 1 1 0   0  21 o 169.2159 6.402207 2461.826       184.3994 2461.826       184.3994 2461.826       184.3994 169.2159 6.402207 169.2159 6.402207 0.000000       0.000000 
1 1 1 0   0  22 o 28.69394 17.56247 63.44849       164.3598 63.44849       164.3598 63.44849       164.3598 28.69394 17.56247 28.69394 17.56247 0.000000       0.000000 
1 1 1 0   0  23 o 56.69946 7.927716 291.4456       72.46217 291.4456       72.46217 291.4456       72.46217 56.69946 7.927716 56.69946 7.927716 0.000000       0.000000 
1 1 1 0   0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  25 o 23.40391 13.06003 64.78889       77.80199 64.78889       77.80199 64.78889       77.80199 23.40391 13.06003 23.40391 13.06003 0.000000       0.000000 
1 1 1 0   0  26 o 25.59308 12.99789 83.59973       71.05788 83.59973       71.05788 83.59973       71.05788 25.59308 12.99789 25.59308 12.99789 0.000000       0.000000 
1 1 1 0   0  27 o 30.64138 13.85935 118.8383       78.06316 118.8383       78.06316 118.8383       78.06316 30.64138 13.85935 30.64138 13.85935 0.000000       0.000000 
1 1 1 0   0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  29 o 74.14891 7.183256 487.9598       88.99524 487.9598       88.99524 487.9598       88.99524 74.14891 7.183256 74.14891 7.183256 0.000000       0.000000 
1 1 1 0   0  30 o 12.14092 8.456220 -56.09931      62.95000 -56.09931      62.95000 -56.09931      62.95000 12.14092 8.456220 12.14092 8.456220 0.000000       0.000000 
1 1 1 0   0  31 o 33.29191 14.18836 141.4520       82.10211 141.4520       82.10211 141.4520       82.10211 33.29191 14.18836 33.29191 14.18836 0.000000       0.000000 
1 1 1 0   0  32 o 32.69055 13.76847 136.7029       77.46642 136.7029       77.46642 136.7029       77.46642 32.69055 13.76847 32.69055 13.76847 0.000000       0.000000 
1 1 1 0   0  33 o 45.47964 13.17365 227.4260       88.77995 227.4260       88.77995 227.4260       88.77995 45.47964 13.17365 45.47964 13.17365 0.000000       0.000000 
1 1 1 0   1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   1  2  o 309.7982 5.067839 8201.915       268.1042 7877.911       464.4748 8363.809       328.3223 303.3309 8.966927 312.7754 6.147038 -9.444458      10.87161 
1 1 1 0   1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   1  4  o 188.9803 3.562529 3050.674       114.9680 3109.595       162.5955 2991.761       162.5832 190.7564 4.991458 187.1041 5.088507 3.652298       7.127942 
1 1 1 0   1  5  o 366.4866 5.032916 11478.17       314.9776 11574.90       445.4544 11381.45       445.4367 367.8672 7.091047 364.7748 7.150876 3.092346       10.07065 
1 1 1 0   1  6  o 145.2134 2.776255 1801.031       68.84429 1761.973       97.29746 1840.189       97.42374 143.6068 3.967570 146.7615 3.887324 -3.154694      5.554539 
1 1 1 0   1  7  f 383.2113 5.239530 12556.33       342.8725 12845.71       484.9143 12266.99       484.8755 387.3401 7.331124 378.4898 7.501949 8.850281       10.48926 
1 1 1 0   1  8  o 65.33308 2.792140 364.6410       31.15102 337.6838       44.27217 391.0737       43.83941 62.71442 4.157489 67.53675 3.816844 -4.822334      5.643847 
1 1 1 0   1  9  o 151.1307 3.513134 1951.826       90.66699 1902.983       128.1955 2000.710       128.2495 149.1620 5.032835 152.9504 4.910245 -3.788437      7.031353 
1 1 1 0   1  10 o 203.8397 3.625549 3550.168       126.2015 3568.962       178.5773 3531.417       178.3746 204.3086 5.118440 203.2300 5.139767 1.078644       7.253663 
1 1 1 0   1  11 o 284.3820 4.454612 6910.284       216.3286 7036.049       302.4862 6778.615       309.5042 286.8609 6.174932 281.5469 6.437449 5.313995       8.920232 
1 1 1 0   1  12 o 140.8929 2.944505 1695.369       70.84406 1671.647       100.0566 1719.217       100.3212 139.8849 4.188638 141.8621 4.141181 -1.977219      5.890167 
1 1 1 0   1  13 o 275.4810 4.315290 6483.412       203.0035 6427.875       287.0377 6538.989       287.1431 274.2188 6.129707 276.5814 6.079579 -2.362579      8.633342 
1 1 1 0   1  14 o 232.2904 3.943020 4609.553       156.4091 4633.564       223.7879 4586.623       218.6920 232.8322 5.628486 231.6541 5.528291 1.178101       7.889350 
1 1 1 0   1  15 f 544.9091 7.612957 25407.00       708.4013 24508.39       1001.743 26305.92       1001.918 534.5681 10.97366 553.9088 10.59235 -19.34076      15.25185 
1 1 1 0   1  16 o 196.7001 3.610991 3305.447       121.2923 3235.316       171.0402 3376.393       172.0304 194.5448 5.148452 198.7446 5.068832 -4.199875      7.224931 
1 1 1 0   1  17 o 315.7162 4.770667 8521.680       257.2041 8807.498       363.9467 8236.504       363.5367 320.7730 6.644127 310.1749 6.863406 10.59814       9.552526 
1 1 1 0   1  18 o 99.59121 3.047457 847.4302       51.82752 839.3577       73.62057 855.3616       72.97408 99.08139 4.351161 100.0240 4.272309 -0.9425659     6.097969 
1 1 1 0   1  19 o 27.05837 8.217575 63.17316       41.31216 83.85313       61.59184 46.26048       55.69989 31.55920 10.10391 26.00364 9.555717 5.555563       13.90686 
1 1 1 0   1  20 o 93.06409 4.256898 741.0082       67.65148 771.9683       84.59199 686.0679       112.6871 94.79451 5.246109 89.05021 7.479605 5.744301       9.135982 
1 1 1 0   1  21 o 175.0513 4.668820 2623.895       139.5643 2414.347       198.0456 2830.623       196.7086 167.6295 6.918513 181.5969 6.343269 -13.96736      9.386313 
1 1 1 0   1  22 o 171.5394 3.640982 2517.517       106.6558 2547.789       151.7091 2487.935       149.9740 172.3940 5.153324 170.3567 5.155308 2.037277       7.289303 
1 1 1 0   1  23 o 203.9569 4.179456 3562.328       145.5661 3527.129       180.2038 3628.427       246.9415 202.7819 5.203945 205.2828 7.044328 -2.500900      8.758060 
1 1 1 0   1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   1  25 o 164.1919 3.812323 2308.380       106.8916 2350.728       149.5045 2264.094       152.8873 165.4743 5.290804 162.3584 5.514354 3.115936       7.642035 
1 1 1 0   1  26 o 166.4079 3.854538 2372.301       109.5338 2424.960       156.5574 2321.808       153.3024 167.9636 5.458288 164.3516 5.462269 3.612015       7.722001 
1 1 1 0   1  27 o 95.63095 4.261972 785.0676       69.60028 875.4788       95.90899 684.4852       101.1601 100.6394 5.602919 88.69600 6.729021 11.94341       8.756278 
1 1 1 0   1  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   1  29 o 93.57770 4.236150 754.0259       67.69329 710.0510       93.37674 802.7369       98.27663 90.20762 6.097491 95.96133 6.027872 -5.753716      8.574067 
1 1 1 0   1  30 o 94.49280 4.136895 769.8926       66.75366 729.6856       93.93523 810.9122       94.87971 91.29588 6.059686 96.36337 5.792706 -5.067490      8.383032 
1 1 1 0   1  31 o 33.98008 8.942817 107.9925       52.59766 144.2653       68.29870 55.12696       82.45332 38.96351 10.15989 29.02022 11.39258 9.943287       15.26480 
1 1 1 0   1  32 o 53.02500 6.408786 251.9282       56.85329 168.3823       79.15988 340.9347       81.70592 41.48995 10.99577 61.04450 8.033087 -19.55455      13.61754 
1 1 1 0   1  33 o 61.43517 7.214799 343.2436       74.24999 383.7733       110.9438 310.3625       99.92860 62.85680 10.72050 56.36493 10.77470 6.491871       15.19945 
1 1 1 0   2  0  o 160.7245 4.683867 2206.485       128.5549 2177.120       181.8166 2235.842       181.7915 159.6203 6.670271 161.7603 6.581120 -2.139969      9.370361 
1 1 1 0   2  1  o 112.0307 2.671610 1071.897       51.11071 1055.890       72.29593 1087.891       72.26701 111.1769 3.808004 112.8499 3.750050 -1.672974      5.344509 
1 1 1 0   2  2  o 253.1879 3.876484 5476.253       167.6034 5307.324       237.0256 5645.187       237.0285 249.1833 5.570248 257.0006 5.400878 -7.817368      7.758682 
1 1 1 0   2  3  o 408.4036 8.200365 14274.46       571.9061 14138.42       808.7840 14410.52       808.8107 405.9708 11.66637 409.8769 11.55557 -3.906128      16.42058 
1 1 1 0   2  4  o 241.3366 3.850932 4975.547       158.7051 5000.479       224.4470 4950.617       224.4388 241.8791 5.433925 240.6689 5.461051 1.210220       7.703935 
1 1 1 0   2  5  o 505.7151 8.551551 21897.62       738.5037 21811.97       1044.425 21983.26       1044.379 504.0130 12.13483 505.9993 12.08666 -1.986298      17.12721 
1 1 1 0   2  6  o 287.0579 4.039992 7041.006       198.0396 7357.026       280.0983 6725.113       280.0422 293.3290 5.591823 280.4301 5.847858 12.89890       8.091103 
1 1 1 0   2  7  o 98.75636 2.418722 833.0145       40.78992 818.1100       57.85691 847.7437       57.51591 97.85110 3.462483 99.60915 3.381324 -1.758057      4.839643 
1 1 1 0   2  8  o 345.3901 5.138529 10204.74       303.0753 10135.28       433.5090 10271.16       423.8796 343.8716 7.382441 346.2067 7.169768 -2.335175      10.29106 
1 1 1 0   2  9  o 382.5723 5.501234 12520.75       359.3979 12265.41       508.2605 12776.10       508.2701 378.2732 7.868264 386.0981 7.708946 -7.824890      11.01533 
1 1 1 0   2  10 o 254.1624 4.101775 5519.952       178.0267 5536.869       251.8197 5503.048       251.7159 254.4523 5.795373 253.6729 5.810784 0.7793884      8.206800 
1 1 1 0   2  11 o 196.5682 3.845907 3300.789       129.0963 3219.784       182.6372 3381.675       182.5025 194.0896 5.510426 198.9142 5.372804 -4.824646      7.696221 
1 1 1 0   2  12 o 602.3192 7.496649 31028.44       771.0735 30646.67       1090.421 31410.26       1090.504 598.0829 10.67655 605.5132 10.54634 -7.430237      15.00713 
1 1 1 0   2  13 o 254.9675 4.325785 5553.873       188.3439 5600.739       266.4373 5507.062       266.2798 255.9671 6.095495 253.8151 6.143542 2.152008       8.654372 
1 1 1 0   2  14 o 345.1088 4.529446 10176.21       266.9335 10573.86       377.8847 9780.182       377.1183 351.6732 6.292427 338.2000 6.529834 13.47314       9.068262 
1 1 1 0   2  15 o 268.0469 4.599927 6139.672       210.5541 6361.941       294.7693 5908.121       300.8611 272.7572 6.328548 262.8243 6.703454 9.932892       9.218829 
1 1 1 0   2  16 o 852.8530 9.927318 62386.79       1445.799 63275.78       2044.716 61497.88       2044.622 857.0059 13.97164 844.7704 14.17335 12.23547       19.90202 
1 1 1 0   2  17 o 180.2889 3.011037 2776.793       92.70154 2877.022       132.0013 2679.256       130.2164 183.4665 4.213274 177.0443 4.307069 6.422165       6.025157 
1 1 1 0   2  18 o 188.3555 3.870793 3032.637       124.5031 3230.465       176.5439 2836.902       175.6079 194.3042 5.320697 182.0594 5.648447 12.24486       7.759818 
1 1 1 0   2  19 o 71.53261 3.811058 438.7488       46.38556 395.9265       87.28852 455.6002       54.75691 67.47071 7.714683 72.84547 4.422774 -5.374756      8.892539 
1 1 1 0   2  20 o 110.6340 4.071949 1047.086       76.92950 948.0684       94.58340 1240.622       132.2328 105.0723 5.288301 120.0775 6.472655 -15.00519      8.358314 
1 1 1 0   2  21 o 104.0267 3.564978 925.5699       63.32914 832.3090       90.43610 1015.306       88.71068 98.39030 5.403236 108.8789 4.771231 -10.48855      7.208302 
1 1 1 0   2  22 o 208.4391 3.783904 3717.887       134.6856 3631.549       188.4224 3808.092       192.5946 205.7744 5.362153 210.7185 5.352289 -4.944092      7.576258 
1 1 1 0   2  23 o 176.0884 3.564961 2653.286       107.1982 2580.743       151.3147 2726.381       151.8892 173.4649 5.108199 178.3108 4.988239 -4.845901      7.139764 
1 1 1 0   2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   2  25 o 131.6214 7.753050 1501.929       173.4917 1501.929       173.4917 0.000000       0.000000 131.6214 7.753050 ?        ?        0.000000       7.753050 
1 1 1 0   2  26 o 138.9276 3.785206 1653.480       89.80077 1620.302       123.2500 1691.024       131.1089 137.3146 5.256159 140.2411 5.474631 -2.926590      7.589387 
1 1 1 0   2  27 o 35.71128 8.695184 115.7657       52.52987 164.7410       77.92982 74.98267       71.11405 42.37247 10.75234 30.80929 10.86339 11.56318       15.28483 
1 1 1 0   2  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   2  29 o 92.10552 3.987623 729.9390       62.71937 697.1147       84.29507 770.6464       93.87314 89.52848 5.540881 94.04427 5.874724 -4.515793      8.075502 
1 1 1 0   2  30 o 47.34907 6.910286 200.5320       54.22798 162.0566       71.25629 253.4823       83.59229 41.54867 10.13367 52.34085 9.709927 -10.79218      14.03474 
1 1 1 0   2  31 o 80.47565 4.448060 562.6833       60.89030 489.6555       82.17978 651.5771       90.66844 74.30197 6.543611 85.93130 6.220863 -11.62933      9.028730 
1 1 1 0   2  32 o 23.58630 9.799074 21.09364       65.01991 155.5837       98.24603 -83.71754      86.73087 39.65865 12.76776 20.14455 9.528822 19.51410       15.93154 
1 1 1 0   2  33 o 84.80540 5.509240 635.8997       79.35179 736.3182       119.7958 557.3946       105.9214 89.70969 7.900509 77.85438 8.084976 11.85531       11.30420 
1 1 1 0   3  1  o 334.0053 5.050848 9533.709       288.0843 9633.905       412.1159 9437.958       402.8670 335.6039 7.191020 332.1806 7.102078 3.423218       10.10694 
1 1 1 0   3  2  o 312.8400 4.333952 8361.781       231.5306 8381.359       327.4599 8342.211       327.4075 313.1047 6.124443 312.3717 6.137831 0.7329407      8.670743 
1 1 1 0   3  3  o 240.5927 4.013773 4945.251       164.9063 4653.662       233.2402 5236.704       233.1853 233.3157 5.854064 247.5173 5.516882 -14.20154      8.044007 
1 1 1 0   3  4  o 396.4382 7.824937 13451.57       529.7346 13034.16       749.1133 13869.08       749.2023 389.7361 11.25576 402.0853 10.91136 -12.34912      15.67642 
1 1 1 0   3  5  o 216.8682 4.225396 4019.021       156.4823 4017.283       267.1796 4019.928       193.0591 216.6507 7.221732 216.8462 5.213585 -0.1955872     8.907013 
1 1 1 0   3  6  o 90.99996 3.387110 707.5205       52.63473 719.0589       74.33445 695.9184       74.53947 91.58560 4.769417 90.08854 4.863251 1.497063       6.811648 
1 1 1 0   3  7  o 276.3621 4.398520 6529.900       207.5807 6538.372       293.5885 6521.431       293.5385 276.3577 6.221077 275.9986 6.228110 0.3591003      8.802906 
1 1 1 0   3  8  o 160.5690 3.048588 2202.767       83.59155 2254.546       116.7705 2148.342       119.7172 162.3989 4.210639 158.5180 4.422585 3.880951       6.106451 
1 1 1 0   3  9  o 314.4823 4.852553 8454.948       260.5964 8673.358       368.6077 8236.700       368.4704 318.3277 6.780911 310.1912 6.956186 8.136475       9.714385 
1 1 1 0   3  10 o 343.6855 4.863968 10094.67       285.4656 9947.841       403.6666 10241.55       403.7520 341.0160 6.931802 346.0228 6.832948 -5.006805      9.733399 
1 1 1 0   3  11 o 332.9416 4.788290 9471.497       272.2390 9752.356       385.0321 9190.720       384.9760 337.7279 6.676180 327.8450 6.876433 9.882874       9.584190 
1 1 1 0   3  12 o 95.29146 3.290395 775.5728       53.54316 777.4946       74.69463 773.5416       76.79185 95.39470 4.585252 95.14999 4.726118 0.2447128      6.584886 
1 1 1 0   3  13 o 343.1255 3.892720 10057.52       228.0910 10269.95       323.0232 9846.285       322.1175 346.6481 5.456861 339.4166 5.557498 7.231476       7.788653 
1 1 1 0   3  14 o 468.6025 5.296160 18767.80       423.8066 20131.29       599.8855 17409.15       598.8219 485.1164 7.241366 451.0631 7.774248 34.05325       10.62433 
1 1 1 0   3  15 o 409.6879 5.265478 14347.19       368.3773 14914.81       521.5200 13781.98       520.4102 417.4954 7.315050 401.2935 7.594196 16.20197       10.54428 
1 1 1 0   3  16 o 82.43924 3.102165 580.5656       43.67176 635.6982       64.49012 533.8685       59.35176 86.13142 4.399271 78.91081 4.422297 7.220612       6.237812 
1 1 1 0   3  17 o 187.4265 4.187891 3002.782       134.0381 3081.643       168.8267 2868.311       220.4583 189.8132 5.208501 182.9923 7.054912 6.820892       8.769279 
1 1 1 0   3  18 o 145.9755 5.465178 1823.866       136.2343 1536.465       348.3388 1875.765       148.0245 131.9281 15.77473 148.0110 5.856491 -16.08299      16.82679 
1 1 1 0   3  19 o 93.99974 3.667333 755.4838       58.86795 834.5488       85.47927 684.1545       81.18996 98.60224 5.093988 89.22370 5.353437 9.378540       7.389723 
1 1 1 0   3  20 o 177.8080 3.369665 2703.152       102.3151 2770.060       146.5199 2639.477       142.9375 179.8713 4.770159 175.5808 4.767244 4.290527       6.743962 
1 1 1 0   3  21 o 74.50867 3.957141 476.3899       50.16842 506.6086       72.62453 448.8077       69.38406 76.65831 5.586260 72.11595 5.680104 4.542358       7.966799 
1 1 1 0   3  22 o 109.3326 3.476744 1022.599       64.91193 923.1956       91.51060 1123.266       92.09080 103.7630 5.164486 114.4962 4.710025 -10.73323      6.989725 
1 1 1 0   3  23 o 92.80703 13.44246 772.8578       206.8371 800.2979       310.8385 751.0535       277.0861 91.94714 20.33626 89.60769 18.71181 2.339455       27.63504 
1 1 1 0   3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   3  25 o 226.9875 4.063955 4414.000       157.5262 4314.027       222.1856 4515.043       223.3706 224.0117 5.808224 229.1982 5.707064 -5.186554      8.142853 
1 1 1 0   3  26 o 69.92290 6.490651 425.3090       76.61748 425.3090       76.61748 0.000000       0.000000 69.92290 6.490651 ?        ?        0.000000       6.490651 
1 1 1 0   3  27 o 46.51086 6.614387 190.9418       51.05454 178.0480       71.00701 204.7415       73.45948 44.17555 9.680153 47.51053 9.387223 -3.334976      13.48426 
1 1 1 0   3  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   3  29 o 140.4641 3.739445 1696.573       89.69627 1639.041       124.0734 1759.560       129.8210 137.5809 5.281032 142.5294 5.333825 -4.948486      7.505930 
1 1 1 0   3  30 o 133.0954 4.002366 1527.273       90.96658 1527.395       124.8379 1527.134       132.8257 132.5258 5.516251 132.3519 5.876920 0.1738892      8.060224 
1 1 1 0   3  31 o 75.75758 5.466441 503.7356       70.24344 374.4414       107.8559 598.9704       92.56623 63.02603 10.38289 82.12092 6.658122 -19.09489      12.33430 
1 1 1 0   3  32 o 97.08731 4.806348 821.7849       79.68556 877.7612       114.1024 768.4924       111.3334 99.12994 6.781157 92.53170 7.099987 6.598236       9.818040 
1 1 1 0   3  33 o 45.71881 8.810974 198.4760       66.29490 137.3333       95.51389 255.3139       92.09011 37.14446 12.61350 50.75018 10.94768 -13.60572      16.70186 
1 1 1 0   4  0  o 118.8613 3.641154 1206.608       73.90629 1129.770       104.6128 1283.172       104.4260 114.9972 5.327156 122.5603 4.989499 -7.563080      7.298882 
1 1 1 0   4  1  o 559.1838 8.408350 26773.72       802.9107 26332.40       1390.813 26994.31       983.3145 552.9440 14.72942 561.0950 10.26252 -8.151001      17.95202 
1 1 1 0   4  2  o 255.8068 3.713666 5590.461       162.2247 5471.056       229.4727 5709.758       229.3681 252.9837 5.311738 258.4501 5.197019 -5.466446      7.431255 
1 1 1 0   4  3  o 437.8798 5.975868 16398.07       446.8460 15950.24       631.9531 16845.86       631.9182 431.4853 8.576634 443.4738 8.344319 -11.98853      11.96605 
1 1 1 0   4  4  o 196.0223 3.409026 3282.826       114.1137 3138.641       161.6050 3426.215       161.1581 191.6049 4.939081 200.2018 4.713921 -8.596848      6.827559 
1 1 1 0   4  5  o 342.6651 7.068202 10057.54       413.6002 9927.813       584.9587 10187.24       584.8793 339.8913 10.07821 344.3322 9.946876 -4.440887      14.16018 
1 1 1 0   4  6  o 167.3048 4.833596 2393.879       138.0958 2342.962       195.8289 2444.247       194.7694 165.3724 6.934448 168.9238 6.751930 -3.551437      9.678591 
1 1 1 0   4  7  o 265.0733 4.706367 6008.315       213.0363 5954.974       364.1904 6036.061       262.6631 263.5093 8.093392 265.5827 5.791585 -2.073364      9.952158 
1 1 1 0   4  8  o 142.0273 2.927827 1723.136       71.00996 1696.581       100.7093 1749.391       100.1396 140.8941 4.185764 143.0730 4.098701 -2.178864      5.858325 
1 1 1 0   4  9  o 436.8253 5.589586 16313.24       416.9552 16309.20       589.6588 16317.28       589.6686 436.4930 7.910823 436.6014 7.908988 -0.1084900     11.18630 
1 1 1 0   4  10 o 144.9762 3.286575 1795.217       81.36587 1892.902       115.1183 1697.701       115.0192 148.8450 4.529062 140.9563 4.778414 7.888702       6.583741 
1 1 1 0   4  11 o 303.3073 4.458467 7859.540       230.9247 8061.209       326.5563 7657.820       326.5975 307.0868 6.227231 299.2955 6.390145 7.791290       8.922576 
1 1 1 0   4  12 o 215.8597 4.177230 3980.654       153.9792 4248.121       217.9066 3713.907       217.6125 222.9400 5.723746 208.4363 6.113762 14.50368       8.374925 
1 1 1 0   4  13 o 214.3659 3.050574 3924.828       111.6707 4081.371       158.3988 3770.139       157.4578 218.5668 4.243906 210.0635 4.389466 8.503296       6.105583 
1 1 1 0   4  14 o 462.4102 5.933636 18281.34       468.5439 19162.68       663.0210 17402.12       662.2219 473.1368 8.206135 450.8217 8.601948 22.31503       11.88840 
1 1 1 0   4  15 o 257.3303 4.572570 5659.289       200.9339 5602.230       284.7710 5715.863       283.5597 255.9058 6.516489 258.4951 6.423774 -2.589294      9.150383 
1 1 1 0   4  16 o 164.7188 3.173110 2317.971       89.25450 2361.663       112.8026 2244.818       145.9601 166.2368 3.973655 162.0166 5.275610 4.220200       6.604695 
1 1 1 0   4  17 o 107.4059 4.769170 986.5837       87.47276 969.4730       129.4216 1000.973       118.6849 106.1205 7.184084 107.9207 6.469899 -1.800171      9.668022 
1 1 1 0   4  18 o 192.6004 3.455252 3170.719       113.6420 3251.687       159.2736 3086.755       162.1944 194.9471 4.784374 189.9205 5.001060 5.026657       6.921043 
1 1 1 0   4  19 o 234.8188 3.860042 4715.802       154.7843 4908.669       219.7040 4525.740       218.1008 239.3870 5.374466 229.8347 5.556993 9.552353       7.730786 
1 1 1 0   4  20 o 139.1406 3.324531 1655.361       78.99255 1662.463       113.4455 1648.678       110.0563 139.3349 4.767881 138.7663 4.644393 0.5685883      6.656056 
1 1 1 0   4  21 o 161.0097 3.488870 2217.459       95.92653 2240.863       136.8594 2194.858       134.4927 161.7095 4.956067 160.0450 4.921014 1.664490       6.984195 
1 1 1 0   4  22 o 142.0327 3.498169 1725.957       84.84594 1807.769       121.5815 1648.292       118.4600 145.2181 4.902808 138.6535 5.003097 6.564636       7.004891 
1 1 1 0   4  23 o 70.34480 15.42859 456.3644       180.2363 534.5765       269.1172 392.7492       242.7086 75.03677 20.44548 65.09568 19.94824 9.941086       28.56484 
1 1 1 0   4  24 o 171.1705 3.725495 2508.198       108.8967 2344.979       151.7435 2681.514       156.3670 165.2747 5.376526 176.7711 5.180027 -11.49638      7.465904 
1 1 1 0   4  25 o 159.2679 3.768640 2172.310       102.4978 2006.510       141.5888 2354.865       148.5708 152.8257 5.425385 165.5929 5.253998 -12.76718      7.552437 
1 1 1 0   4  26 o 128.9875 3.778779 1426.013       83.23405 1397.580       114.1214 1458.328       121.6615 127.4709 5.242690 130.1691 5.473228 -2.698181      7.579051 
1 1 1 0   4  27 o 125.2431 4.858523 1350.596       103.9106 1281.221       179.7229 1385.432       127.3546 120.5507 8.790944 126.5994 5.890892 -6.048744      10.58222 
1 1 1 0   4  28 o 76.29800 6.134349 508.2410       79.24963 458.9678       103.3229 578.6513       123.5119 71.71112 8.609486 80.41285 9.157950 -8.701729      12.56946 
1 1 1 0   4  29 o 59.44372 6.710421 312.5505       66.92504 472.2325       90.85818 123.1536       98.95151 72.97283 7.393281 37.34521 12.83593 35.62762       14.81289 
1 1 1 0   4  30 o 49.00875 7.530075 216.9197       61.00330 168.0931       88.84653 260.4696       83.90847 41.83845 11.88042 52.97623 9.629919 -11.13778      15.29312 
1 1 1 0   4  31 f 73.77335 5.944918 480.9471       74.25843 573.4985       105.7173 390.8072       104.3310 79.62759 7.877993 64.63060 9.756868 14.99699       12.54031 
1 1 1 0   4  32 o 27.17614 9.942588 60.18914       60.20637 107.8817       84.94609 12.04797       85.34465 34.10620 11.88316 25.40595 10.91946 8.700243       16.13828 
1 1 1 0   4  33 o 31.36450 10.46519 93.14819       65.73892 94.58321       95.72325 91.86723       90.43936 32.80349 12.43096 32.27480 12.11559 0.5286865      17.35846 
1 1 1 0   5  1  o 183.4955 2.796793 2876.221       87.63705 3022.617       124.0319 2730.271       123.8434 188.0683 3.862032 178.7340 4.057549 9.334305       5.601695 
1 1 1 0   5  2  o 167.8306 3.375089 2406.716       96.72938 2486.059       136.9156 2327.650       136.6767 170.5173 4.702001 164.9879 4.851100 5.529358       6.755886 
1 1 1 0   5  3  o 350.9871 4.832068 10534.96       289.6184 10430.08       409.6382 10639.79       409.5264 348.9567 6.874276 352.4586 6.804118 -3.501892      9.672213 
1 1 1 0   5  4  o 300.5145 4.503263 7721.914       231.0972 7476.108       330.6807 7956.569       323.0931 295.4565 6.554104 304.8503 6.206391 -9.393768      9.026382 
1 1 1 0   5  5  o 308.7975 5.028855 8155.967       265.1825 8190.535       447.0769 8137.204       329.3808 308.9575 8.473865 308.2953 6.256471 0.6622009      10.53327 
1 1 1 0   5  6  o 131.9596 4.009181 1488.275       90.34387 1478.658       127.3681 1498.013       128.1667 131.4675 5.673359 132.3252 5.671926 -0.8576965     8.022328 
1 1 1 0   5  7  o 122.8071 4.462163 1288.989       93.57740 1247.691       132.5238 1330.055       132.1538 120.5868 6.459113 124.6904 6.206470 -4.103600      8.957701 
1 1 1 0   5  8  o 144.2205 4.985693 1777.643       122.7876 1689.109       173.8017 1865.864       173.4945 140.3194 7.278273 147.6917 6.879039 -7.372238      10.01471 
1 1 1 0   5  9  o 118.2536 4.531751 1194.776       91.51289 1070.167       127.4410 1327.432       131.4915 111.6723 6.714050 124.6104 6.179331 -12.93808      9.124834 
1 1 1 0   5  10 o 289.3928 4.303500 7154.668       212.6725 7335.818       304.2972 6981.694       297.3518 292.9519 6.082747 285.7931 6.092800 7.158844       8.609415 
1 1 1 0   5  11 o 469.2595 5.860979 18822.01       469.6617 19277.76       664.4091 18366.83       663.9950 474.6626 8.196881 463.2887 8.392883 11.37390       11.73155 
1 1 1 0   5  12 o 415.3199 5.302577 14741.69       376.0726 14589.37       531.7112 14894.17       531.9828 412.9696 7.539731 417.2689 7.465857 -4.299347      10.61068 
1 1 1 0   5  13 o 184.7983 3.026914 2916.855       95.52122 2807.035       135.8713 3024.176       134.3170 181.2522 4.389777 188.1383 4.180726 -6.886124      6.062063 
1 1 1 0   5  14 o 105.5971 4.544885 952.9186       81.95524 1048.183       115.7287 857.0807       116.0766 110.5384 6.155334 99.85723 6.848498 10.68121       9.208153 
1 1 1 0   5  15 o 53.95499 6.632746 252.8732       59.82513 274.4074       127.5552 246.8003       67.73748 55.33454 13.59634 53.13546 7.688736 2.199074       15.61977 
1 1 1 0   5  16 o 136.2596 2.799479 1586.100       65.13978 1571.035       93.76321 1600.154       90.56322 135.5727 4.050030 136.8296 3.875877 -1.256851      5.605815 
1 1 1 0   5  17 o 140.5105 2.842003 1686.863       68.19227 1663.905       98.19585 1708.247       94.77212 139.4996 4.122097 141.3554 3.926145 -1.855759      5.692653 
1 1 1 0   5  18 o 290.7534 4.286106 7231.680       212.8089 7277.637       301.2004 7185.870       300.7145 291.4035 6.052837 289.5553 6.081643 1.848206       8.580397 
1 1 1 0   5  19 o 187.3669 3.682214 3002.364       117.8159 3113.768       168.5643 2895.964       164.7353 190.6603 5.177302 183.8632 5.246745 6.797028       7.371078 
1 1 1 0   5  20 o 127.7851 3.126978 1396.127       68.23495 1465.338       98.84844 1333.127       94.30909 130.8247 4.424642 124.7833 4.425836 6.041466       6.258233 
1 1 1 0   5  21 o 159.1710 3.359758 2167.058       91.32166 2223.255       129.3927 2111.284       128.9054 161.0845 4.703856 156.9634 4.809177 4.121094       6.727142 
1 1 1 0   5  22 o 117.4823 3.224548 1180.598       64.69090 1208.393       93.13615 1154.688       89.92197 118.7469 4.592974 116.0834 4.536216 2.663490       6.455437 
1 1 1 0   5  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   5  24 o 124.5029 3.560378 1326.865       75.69678 1301.747       109.2921 1350.024       104.9431 123.1434 5.197274 125.4436 4.898957 -2.300148      7.142229 
1 1 1 0   5  25 o 99.65633 4.125010 851.2911       70.19914 854.9698       98.62360 847.5133       99.94270 99.51183 5.829125 99.05528 5.935781 0.4565430      8.319387 
1 1 1 0   5  26 o 105.4157 4.079689 953.5633       73.44028 1102.980       103.1043 799.6830       104.6330 113.1744 5.334904 95.97733 6.421123 17.19709       8.348174 
1 1 1 0   5  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   5  28 o 102.0463 4.476770 897.4982       78.01246 982.3962       108.9389 808.1334       111.7681 106.1989 6.031928 96.00273 6.862860 10.19618       9.136904 
1 1 1 0   5  29 o 21.73086 10.19293 -85.50488      95.59547 -85.50488      95.59547 0.000000       0.000000 21.73086 10.19293 ?        ?        0.000000       10.19293 
1 1 1 0   5  30 o 27.77330 10.19015 60.32384       63.30652 72.37382       88.36297 47.61620       90.74232 31.20804 11.91541 29.21284 11.78929 1.995199       16.76199 
1 1 1 0   5  31 o 51.14124 7.851729 239.7067       66.37921 164.8624       96.31711 307.4121       91.60855 40.76740 12.57873 57.08692 9.747095 -16.31952      15.91322 
1 1 1 0   5  32 o 107.8709 4.763196 1015.921       87.74144 1247.417       125.4976 794.5610       122.7193 118.4665 6.225342 93.44776 7.760493 25.01873       9.948876 
1 1 1 0   5  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   6  0  o 77.25060 4.734901 511.8465       62.16048 465.5373       88.23927 557.4671       87.58082 73.43176 7.126548 80.48927 6.425455 -7.057510      9.595528 
1 1 1 0   6  1  o 191.9016 3.626909 3147.179       118.8549 3096.370       168.1281 3197.938       168.0443 190.2572 5.174843 193.3583 5.089313 -3.101074      7.258106 
1 1 1 0   6  2  o 476.0036 6.454251 19400.61       524.6359 18983.55       750.2531 19799.69       733.9113 470.1354 9.345078 480.2522 8.948954 -10.11682      12.93887 
1 1 1 0   6  3  o 294.5725 4.741858 7419.516       238.5298 7217.360       333.4337 7631.410       341.3705 290.3225 6.725534 298.5378 6.696142 -8.215302      9.490582 
1 1 1 0   6  4  o 414.9903 5.499271 14730.15       389.7131 14766.01       551.2779 14694.32       550.9973 415.1329 7.776453 414.1211 7.791484 1.011780       11.00820 
1 1 1 0   6  5  o 364.2338 4.855995 11340.58       302.0371 11218.35       427.2936 11462.64       426.9965 362.0507 6.911226 365.9813 6.832247 -3.930603      9.718264 
1 1 1 0   6  6  o 50.85357 2.985039 221.6500       25.80865 295.8086       51.22568 196.4220       29.87780 58.60041 5.172069 47.80788 3.688219 10.79254       6.352421 
1 1 1 0   6  7  f 173.2526 4.436296 2564.628       131.2509 2534.953       185.7885 2594.193       185.4455 172.1877 6.318511 174.1912 6.234308 -2.003479      8.876383 
1 1 1 0   6  8  o 473.7450 8.450760 19204.78       683.6633 18243.56       966.5367 20167.23       967.1553 461.1797 12.27287 484.9900 11.67781 -23.81024      16.94092 
1 1 1 0   6  9  o 432.7124 7.236909 16012.58       534.7545 15883.81       756.4291 16141.23       756.0850 430.6202 10.28660 434.1072 10.19933 -3.487030      14.48587 
1 1 1 0   6  10 o 184.2259 4.647659 2899.821       146.2133 2782.091       205.5328 3020.445       208.0436 180.3818 6.672470 187.9575 6.481757 -7.575775      9.302421 
1 1 1 0   6  11 o 308.5402 5.716780 8137.209       301.2071 7751.882       426.2325 8521.593       425.7103 300.9628 8.293384 315.5851 7.899431 -14.62225      11.45344 
1 1 1 0   6  12 f 218.8232 4.129757 4091.030       154.3191 4372.688       273.7813 3959.875       186.8252 226.0915 7.091165 215.2520 5.082605 10.83955       8.724534 
1 1 1 0   6  13 o 469.1187 6.314560 18821.89       505.8570 18947.03       629.0131 18592.78       851.1111 470.4645 7.829443 465.5266 10.70631 4.937897       13.26368 
1 1 1 0   6  14 o 121.5786 4.744090 1263.533       98.49448 936.6845       228.6141 1338.030       109.1434 103.4554 13.24447 125.0998 5.109035 -21.64446      14.19571 
1 1 1 0   6  15 o 326.3015 4.384892 9102.025       244.3317 8812.580       345.6662 9391.040       345.4085 320.8629 6.308636 331.2526 6.106211 -10.38965      8.779789 
1 1 1 0   6  16 o 108.4761 3.044733 1005.440       56.40082 999.0189       79.93279 1011.806       79.59389 108.0891 4.330532 108.7803 4.284770 -0.6912231     6.092024 
1 1 1 0   6  17 o 125.0874 3.461412 1337.532       73.93820 1319.996       105.6014 1354.397       103.5574 124.1875 4.979549 125.8048 4.820385 -1.617340      6.930514 
1 1 1 0   6  18 o 138.6694 3.317553 1643.925       78.55981 1776.005       111.5559 1513.980       110.6503 144.0535 4.534891 132.9789 4.872681 11.07463       6.656444 
1 1 1 0   6  19 o 150.9866 3.217966 1949.131       82.97015 1829.975       117.3820 2068.107       117.2930 146.1857 4.702133 155.4327 4.419038 -9.247009      6.452747 
1 1 1 0   6  20 o 128.3259 3.253602 1408.284       71.29856 1491.066       99.52378 1321.003       102.1919 131.9556 4.416693 124.1682 4.819525 7.787354       6.537201 
1 1 1 0   6  21 o 41.29638 4.581677 147.9030       31.76552 153.4949       46.25732 142.9126       43.69830 41.72782 6.719783 40.25427 6.584700 1.473553       9.408175 
1 1 1 0   6  22 o 152.6858 12.59059 2060.462       325.3540 1826.693       448.8449 2319.291       472.2899 140.6058 19.19501 159.5648 17.62716 -18.95905      26.06079 
1 1 1 0   6  23 o 79.68591 3.764916 543.6132       51.23169 569.3031       72.85710 518.4860       72.05466 81.27442 5.278059 77.51737 5.478569 3.757050       7.607406 
1 1 1 0   6  24 o 43.55172 5.415475 165.4058       39.40611 192.1186       57.28421 141.4097       54.29330 46.60593 7.448474 39.69665 8.277324 6.909283       11.13525 
1 1 1 0   6  25 o 105.6241 3.544619 955.6873       63.93436 1095.904       94.07024 835.3184       87.15852 112.9431 4.877425 98.42882 5.203932 14.51428       7.132334 
1 1 1 0   6  26 o 88.49571 4.514595 675.1037       67.99802 710.1022       90.13877 628.8851       103.5846 90.47589 5.865753 84.76962 7.224662 5.706268       9.306063 
1 1 1 0   6  27 o 59.13909 6.221259 306.6384       61.88613 368.6728       84.56121 235.0919       90.81328 64.44600 7.845648 50.35959 10.87800 14.08641       13.41212 
1 1 1 0   6  28 o 138.0875 4.033839 1641.773       95.12064 1698.337       131.5779 1579.849       137.6706 139.9440 5.505881 134.7871 5.981239 5.156906       8.129572 
1 1 1 0   6  29 o 33.76702 9.356832 105.8411       55.81750 161.8327       75.55083 38.54766       82.82551 41.35072 10.63814 27.75299 11.24111 13.59774       15.47684 
1 1 1 0   6  30 o 77.55559 10.22964 562.1716       132.1738 0.000000       0.000000 562.1716       132.1738 ?        ?        77.55559 10.22964 0.000000       10.22964 
1 1 1 0   6  31 o 45.14820 9.713686 194.9279       72.66945 221.7654       85.45251 124.8115       138.1221 47.71948 10.74508 37.95704 14.78907 9.762436       18.28041 
1 1 1 0   6  32 o 56.84100 6.562726 291.8195       62.53045 290.4925       82.91452 293.5695       95.21983 55.39790 9.079290 54.79638 10.55884 0.6015129      13.92561 
1 1 1 0   7  1  o 47.07261 3.102251 190.0992       24.79738 260.9242       35.90498 125.5080       34.28843 55.12876 3.837881 37.92815 5.450613 17.20061       6.666222 
1 1 1 0   7  2  o 76.22050 3.378339 496.2803       43.97207 443.2555       63.31008 545.6993       61.11954 71.82264 5.197007 79.78335 4.504485 -7.960709      6.877446 
1 1 1 0   7  3  o 470.4261 6.209228 18924.05       498.8051 18870.93       705.5344 18977.14       705.2994 469.4059 8.801724 470.7296 8.774051 -1.323669      12.42797 
1 1 1 0   7  4  o 412.2227 5.585976 14525.18       393.2175 14321.28       556.1799 14728.96       556.0071 409.0832 7.961626 414.8782 7.847978 -5.795044      11.17937 
1 1 1 0   7  5  o 171.4998 3.716251 2512.435       108.8355 2525.874       154.0845 2499.054       153.7494 171.9194 5.248461 171.0038 5.265090 0.9156494      7.434213 
1 1 1 0   7  6  o 148.4173 3.298952 1881.417       83.61079 1829.080       121.0085 1929.230       115.6598 146.3103 4.843277 150.2697 4.507223 -3.959412      6.616071 
1 1 1 0   7  7  o 502.4714 7.393666 21593.05       634.4146 21467.02       1084.467 21658.62       782.2310 500.1970 12.69618 503.0186 9.106447 -2.821655      15.62435 
1 1 1 0   7  8  o 281.1217 5.800805 6754.879       278.4740 6703.854       394.0530 6805.784       393.5907 279.9080 8.243989 282.0331 8.172274 -2.125122      11.60816 
1 1 1 0   7  9  o 405.4346 7.825117 14063.28       541.7682 13833.99       766.3755 14292.33       765.9765 401.6972 11.17226 408.3251 10.98519 -6.627930      15.66824 
1 1 1 0   7  10 o 76.09313 4.421792 496.3910       57.20959 533.5729       75.83695 447.2872       87.15098 78.80379 5.673453 71.95650 7.188723 6.847298       9.157827 
1 1 1 0   7  11 o 284.9115 6.133345 6940.888       298.4072 6944.119       422.4171 6937.670       421.6070 284.7725 8.686434 284.6414 8.673767 0.1310425      12.27552 
1 1 1 0   7  12 o 132.6166 8.593416 1512.694       193.5630 1312.712       203.0927 3494.886       639.3981 123.3636 9.719349 199.9160 18.95590 -76.55231      21.30239 
1 1 1 0   7  13 o 379.2484 7.029126 12312.31       455.2260 11661.97       643.4272 12964.11       644.1470 368.5674 10.22305 388.7040 9.704296 -20.13663      14.09554 
1 1 1 0   7  14 o 291.7428 5.166544 7279.618       257.3963 7338.343       373.1559 7226.315       355.5114 292.6475 7.466957 290.4454 7.167821 2.202087       10.35051 
1 1 1 0   7  15 o 316.6039 5.352817 8577.681       289.4013 8737.321       504.8189 8499.532       353.2036 318.8291 9.272048 314.9818 6.566557 3.847321       11.36180 
1 1 1 0   7  16 o 183.8952 3.354616 2890.536       105.3453 2778.315       149.8923 3000.069       148.0857 180.1832 4.871504 187.2563 4.631001 -7.073059      6.721438 
1 1 1 0   7  17 o 112.4969 3.040906 1081.695       58.41782 1011.296       83.37309 1149.592       81.87775 108.7077 4.491214 115.9225 4.136148 -7.214836      6.105630 
1 1 1 0   7  18 o 169.5101 3.455856 2457.112       100.0352 2413.903       142.4489 2499.155       140.5134 167.8766 4.968978 170.8316 4.816678 -2.954987      6.920341 
1 1 1 0   7  19 o 84.30441 3.162269 607.7256       45.52512 631.9828       65.93307 585.6237       62.93592 85.78732 4.516592 82.57594 4.479932 3.211380       6.361556 
1 1 1 0   7  20 o 200.1237 3.533875 3426.503       120.7679 3348.048       170.9634 3504.644       170.6205 197.6079 5.066369 202.1969 4.941453 -4.588974      7.077150 
1 1 1 0   7  21 o 131.0181 11.87255 1513.780       262.7449 1501.319       367.3473 1526.832       375.9572 128.3070 17.19865 129.2759 17.47828 -0.9689026     24.52109 
1 1 1 0   7  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   7  23 o 22.21865 7.204455 41.25377       31.23924 -30.71544      43.23572 119.8649       45.18676 15.60588 7.156233 36.61069 7.480422 -21.00481      10.35222 
1 1 1 0   7  24 o 218.6020 3.896362 4094.865       145.4505 4213.173       206.0853 3977.443       205.3131 221.3578 5.451930 215.0372 5.591151 6.320587       7.809258 
1 1 1 0   7  25 o 117.4497 3.923390 1183.384       78.68924 1160.840       109.3150 1207.628       113.3621 116.0591 5.515676 118.3562 5.608862 -2.297142      7.866512 
1 1 1 0   7  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   7  27 o 41.84314 7.800067 158.3174       53.68410 158.9353       69.37278 157.3950       84.75955 41.40807 9.937344 41.03907 11.58672 0.3690071      15.26443 
1 1 1 0   7  28 o 55.51330 5.983688 271.3825       55.82759 251.3593       75.55312 295.4633       82.85548 52.52066 8.730544 57.01007 8.793566 -4.489403      12.39150 
1 1 1 0   7  29 o 69.84747 5.161681 426.4319       61.13029 361.3401       83.39170 502.0372       89.87440 63.27851 7.888604 75.08125 7.093803 -11.80275      10.60906 
1 1 1 0   7  30 o 28.42861 9.730513 70.98125       56.84603 36.74431       72.14137 127.0588       92.32755 25.98648 10.50315 36.61322 12.40148 -10.62675      16.25154 
1 1 1 0   7  31 o 24.27203 9.694765 34.65048       60.67622 59.58183       74.46845 -14.59306      104.6584 28.28059 10.90354 25.94142 11.58423 2.339172       15.90854 
1 1 1 0   7  32 o 25.83230 11.07776 19.05019       87.48432 17.77678       185.3363 19.41527       99.23555 33.83019 15.23665 27.10398 11.71207 6.726215       19.21791 
1 1 1 0   8  0  o 815.3842 15.04162 56965.55       2094.397 56938.17       2962.104 56992.93       2961.744 813.7602 21.31581 814.1548 21.30289 -0.3945923     30.13598 
1 1 1 0   8  1  o 235.5712 4.103559 4740.685       165.0764 4679.073       236.4691 4799.250       230.5499 233.9701 5.918505 236.9651 5.697426 -2.994934      8.215191 
1 1 1 0   8  2  o 221.0951 3.926495 4175.754       148.2471 3938.985       209.8756 4411.521       209.4311 214.6785 5.724946 227.2034 5.397896 -12.52484      7.868437 
1 1 1 0   8  3  o 202.7364 3.077353 3510.433       106.5396 3708.173       150.9131 3313.963       150.4275 208.3412 4.241797 196.9499 4.472699 11.39131       6.164242 
1 1 1 0   8  4  o 412.6161 6.183527 14553.58       435.6969 13854.88       616.2847 15251.75       616.0522 402.3315 8.970063 422.1740 8.545236 -19.84256      12.38883 
1 1 1 0   8  5  o 527.8851 5.609708 23816.24       505.6868 22957.83       715.2231 24674.29       715.0751 518.0135 8.085346 537.0671 7.796885 -19.05365      11.23229 
1 1 1 0   8  6  f 470.2528 6.210818 18904.64       498.7491 18131.23       705.9390 19675.42       704.7380 460.2247 8.982461 479.4727 8.607199 -19.24808      12.44060 
1 1 1 0   8  7  o 166.1983 3.635391 2359.474       103.1762 2283.886       176.0988 2398.985       127.3177 163.4425 6.309422 167.5658 4.449402 -4.123322      7.720491 
1 1 1 0   8  8  f 166.1075 4.149616 2357.273       117.7061 2233.198       207.8495 2415.850       142.8132 161.5660 7.533504 168.1367 4.973981 -6.570663      9.027412 
1 1 1 0   8  9  o 360.5667 6.109173 11115.95       376.1577 11093.32       532.4261 11138.49       531.5097 359.9472 8.662008 360.6831 8.629457 -0.7359314     12.22693 
1 1 1 0   8  10 f 305.2059 10.75203 7991.010       560.3833 7640.025       584.6918 11950.75       1963.885 298.3304 11.47698 365.4537 31.78547 -67.12335      33.79404 
1 1 1 0   8  11 o 217.3634 5.926216 4040.719       219.9712 2804.049       728.2670 4164.871       230.7488 177.1371 24.75187 220.6651 6.123558 -43.52805      25.49809 
1 1 1 0   8  12 o 287.1113 6.314111 7054.151       309.5740 6768.799       437.2482 7340.958       438.3613 280.9041 9.115238 292.5856 8.773590 -11.68146      12.65162 
1 1 1 0   8  13 o 250.8511 5.747302 5384.706       246.1965 5318.170       350.1564 5449.756       346.2258 249.0078 8.234689 252.0958 8.042516 -3.087982      11.51052 
1 1 1 0   8  14 o 193.4993 4.842210 3202.946       160.0018 3018.948       226.9153 3384.887       225.6436 187.6581 7.081001 198.7536 6.648231 -11.09550      9.712854 
1 1 1 0   8  15 o 214.2831 5.379490 3931.579       196.8479 3936.248       279.3955 3926.978       277.3854 214.1049 7.641716 213.8599 7.595430 0.2449951      10.77434 
1 1 1 0   8  16 o 132.7024 4.716678 1507.380       106.8850 1471.167       152.7151 1542.152       149.6480 130.7378 6.864370 134.0692 6.536421 -3.331390      9.478627 
1 1 1 0   8  17 o 76.94459 4.783992 508.9230       62.54819 478.0941       95.32046 532.2354       82.88954 74.17078 7.634848 78.51483 6.233523 -4.344055      9.856354 
1 1 1 0   8  18 o 192.6295 4.085744 3175.942       134.3990 3226.590       236.1292 3151.671       163.4594 193.6776 7.139511 191.7776 4.991261 1.900040       8.711217 
1 1 1 0   8  19 o 192.5578 3.345028 3171.581       109.9924 3147.393       157.2538 3194.750       153.9057 191.6389 4.805246 193.0955 4.667462 -1.456589      6.698925 
1 1 1 0   8  20 o 192.7964 3.415480 3180.264       112.4482 3154.790       159.6067 3205.371       158.4511 191.8187 4.872572 193.3624 4.798676 -1.543762      6.838804 
1 1 1 0   8  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   8  22 o 109.7010 3.493548 1030.014       65.44545 1149.750       93.05977 912.8461       92.05608 115.7882 4.706476 102.9849 5.251970 12.80325       7.052241 
1 1 1 0   8  23 o 155.3459 3.569450 2066.327       94.68978 2139.745       134.5110 1994.204       133.3201 157.8693 4.989515 152.3830 5.123387 5.486298       7.151528 
1 1 1 0   8  24 o 89.48266 4.196490 687.0860       64.12495 669.1624       92.14886 703.9152       89.29137 87.84316 6.182417 90.18172 5.829340 -2.338562      8.497263 
1 1 1 0   8  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   8  26 o 48.34434 7.180200 208.1612       57.47596 182.2843       86.09618 228.9649       77.19665 44.15387 11.35473 50.10146 9.367293 -5.947590      14.71992 
1 1 1 0   8  27 o 68.79793 5.219751 412.2206       60.86648 517.1769       95.17603 339.5921       79.17294 76.40417 7.386890 61.67709 7.683728 14.72708       10.65860 
1 1 1 0   8  28 o 36.41196 8.644000 122.9857       52.94410 103.2811       81.71973 137.2394       69.50348 34.14254 11.66682 38.15198 10.38825 -4.009434      15.62147 
1 1 1 0   8  29 o 26.70402 9.770077 56.35059       58.13570 -0.1435884E-02 79.09283 122.5751       85.74165 23.92846 10.39780 36.11203 11.94711 -12.18358      15.83817 
1 1 1 0   8  30 o 67.22614 5.600146 399.5099       63.70456 414.5281       91.17516 385.1849       89.04626 67.27985 8.098441 64.75127 8.239812 2.528587       11.55332 
1 1 1 0   8  31 o 88.03115 5.039258 681.8082       75.43925 475.4860       105.2152 900.0941       108.2227 71.28526 8.832378 100.3418 6.348621 -29.05652      10.87731 
1 1 1 0   9  1  o 117.6513 3.320749 1182.280       66.71674 1138.543       95.00798 1224.829       93.70889 115.4319 4.819836 119.7304 4.583258 -4.298515      6.651095 
1 1 1 0   9  2  o 408.0344 5.741753 14230.87       400.0767 13811.54       559.8501 14668.50       571.9309 401.7581 8.160283 414.0422 8.089041 -12.28415      11.49012 
1 1 1 0   9  3  o 431.3933 5.810817 15907.56       428.0678 15636.76       612.9948 16165.30       598.0407 427.4462 8.397951 434.6504 8.057285 -7.204193      11.63810 
1 1 1 0   9  4  o 254.9422 3.811747 5552.244       165.9464 5586.213       235.8993 5518.966       233.4865 255.6577 5.403386 254.1152 5.380580 1.542419       7.625433 
1 1 1 0   9  5  o 217.9814 4.194420 4059.536       156.1325 3962.965       222.0240 4154.014       219.6053 215.3025 6.038774 220.4404 5.833775 -5.137939      8.396412 
1 1 1 0   9  6  o 459.4933 5.287664 18045.60       414.9015 19416.10       587.6544 16683.42       585.8685 476.4132 7.223310 441.5508 7.769938 34.86237       10.60887 
1 1 1 0   9  7  o 171.1734 3.564198 2502.975       104.1838 2420.500       150.5977 2578.677       144.2814 168.2819 5.240576 173.7061 4.863996 -5.424194      7.149971 
1 1 1 0   9  8  o 312.3545 4.556687 8337.607       243.0518 8450.527       425.5155 8282.925       296.1104 314.1883 7.930918 311.2622 5.570898 2.926025       9.691975 
1 1 1 0   9  9  o 201.6708 9.024997 3485.753       310.8079 3207.548       324.9013 6485.413       1066.854 193.1337 9.884375 271.2986 23.25268 -78.16493      25.26634 
1 1 1 0   9  10 o 175.2263 7.061292 2628.672       211.2931 3131.831       700.6055 2578.329       221.6116 187.8163 22.27871 173.5119 7.479308 14.30441       23.50066 
1 1 1 0   9  11 o 149.3895 4.721467 1908.178       120.4478 1775.665       171.2808 2037.817       169.4125 143.9907 6.965821 154.2887 6.429976 -10.29800      9.479835 
1 1 1 0   9  12 o 450.2930 8.829827 17411.49       678.9680 16515.75       960.4251 18306.42       959.9865 437.1654 12.86518 460.5301 12.20690 -23.36469      17.73474 
1 1 1 0   9  13 o 254.4183 5.984361 5544.015       259.9968 5538.821       368.2181 5549.180       367.1662 253.8982 8.492656 254.1415 8.460289 -0.2433167     11.98756 
1 1 1 0   9  14 o 133.7812 4.448126 1531.243       101.6188 1498.429       148.6848 1560.005       139.2047 132.1802 6.587157 134.9163 6.042096 -2.736053      8.938543 
1 1 1 0   9  15 o 176.5871 4.883970 2669.925       147.2766 2716.412       209.6476 2624.632       206.9401 177.8714 6.902112 174.8365 6.931231 3.034805       9.781672 
1 1 1 0   9  16 o 154.8698 4.651047 2053.682       123.0041 2029.718       173.5634 2077.864       174.3474 153.7424 6.610931 155.5615 6.563136 -1.819122      9.315534 
1 1 1 0   9  17 o 282.5342 6.190917 6854.226       298.6950 6812.833       423.0051 6895.390       421.8343 280.8695 8.819402 282.5944 8.741309 -1.724884      12.41742 
1 1 1 0   9  18 o 43.50445 7.318784 167.3464       52.44157 217.0069       79.50212 129.0959       69.77370 49.19538 9.807644 37.95713 10.43889 11.23825       14.32342 
1 1 1 0   9  19 o 192.4129 5.249343 3176.516       172.4809 3047.816       245.1020 3302.772       242.7645 187.9668 7.635960 195.7664 7.261816 -7.799530      10.53764 
1 1 1 0   9  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   9  21 o 57.50688 4.830786 285.6326       46.99992 286.3128       97.59389 285.4272       53.62848 56.44305 10.51216 57.38314 5.541752 -0.9400902     11.88346 
1 1 1 0   9  22 o 95.90520 4.117893 788.2233       67.44024 900.6550       122.7469 739.6085       80.71428 101.9115 7.097489 92.66905 5.120375 9.242439       8.751719 
1 1 1 0   9  23 f 89.57835 4.390004 688.7073       67.15369 684.8007       105.6687 691.3541       86.97637 88.69788 7.034091 89.40989 5.726675 -0.7120056     9.070460 
1 1 1 0   9  24 o 112.0754 4.223621 1079.205       80.83455 962.2079       120.9325 1173.697       108.6811 105.1059 6.773805 116.6363 5.456549 -11.53041      8.698181 
1 1 1 0   9  25 o ?        ?        -348.2758      70.71109 0.000000       0.000000 -348.2758      70.71109 ?        ?        ?        ?        0.000000       ?        
1 1 1 0   9  26 o 90.69980 4.401645 709.3288       68.17470 799.0483       105.7567 645.5353       89.17687 95.50147 6.523823 85.93135 6.117072 9.570122       8.943089 
1 1 1 0   9  27 o 27.53078 9.478269 63.60171       53.96509 63.53323       81.12761 63.65606       72.27375 29.93370 11.41994 29.12970 10.85110 0.8040066      15.75314 
1 1 1 0   9  28 o 92.06011 4.289963 733.5015       67.44146 753.4642       97.85825 715.4428       93.07471 92.42338 6.236795 90.12148 6.083469 2.301895       8.712417 
1 1 1 0   9  29 o 22.35404 8.935569 27.26230       51.58890 52.54119       77.23106 6.895029       69.32332 27.97353 11.01177 22.96515 9.855025 5.008381       14.77771 
1 1 1 0   9  30 o 27.85863 11.03984 52.60116       78.10806 15.15095       142.2162 68.77713       93.46675 31.10361 13.71692 30.61126 12.09369 0.4923534      18.28691 
1 1 1 0   9  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   10 0  o 177.3541 4.990100 2686.937       151.1306 2515.560       214.6850 2855.301       212.7896 171.5587 7.328029 182.7893 6.817070 -11.23058      10.00862 
1 1 1 0   10 1  o 205.8431 3.339645 3619.322       117.3920 3711.962       166.7263 3528.241       165.3175 208.4185 4.684529 203.1924 4.764414 5.226089       6.681650 
1 1 1 0   10 2  o 203.0144 3.363708 3520.574       116.6131 3272.565       165.4787 3765.236       164.3586 195.6838 4.952054 209.9113 4.585161 -14.22749      6.748817 
1 1 1 0   10 3  o 129.6686 2.770827 1436.057       61.35445 1473.213       91.61648 1405.843       82.61639 131.3123 4.085700 128.2808 3.771400 3.031433       5.560252 
1 1 1 0   10 4  o 239.3559 3.967446 4894.815       162.1649 4898.768       228.8561 4890.829       229.8186 239.3770 5.598583 239.1815 5.626726 0.1955566      7.937517 
1 1 1 0   10 5  o 394.0581 5.377307 13274.75       361.8487 13059.74       512.3249 13488.77       511.1399 390.6041 7.680804 396.9864 7.539842 -6.382233      10.76308 
1 1 1 0   10 6  o 321.1664 4.873278 8816.676       267.2719 8428.376       379.1920 9200.048       376.7785 313.8253 7.075698 327.9130 6.728612 -14.08771      9.764206 
1 1 1 0   10 7  o 155.7350 4.670683 2073.124       124.2135 2010.468       179.0617 2131.240       172.4533 153.2666 6.841532 157.8263 6.398678 -4.559753      9.367477 
1 1 1 0   10 8  o 178.2461 4.447144 2715.828       135.3640 2445.140       451.2938 2742.589       141.8975 167.2786 15.99347 179.1133 4.639222 -11.83469      16.65273 
1 1 1 0   10 9  o 120.0519 3.658265 1231.638       74.99739 1335.809       139.3962 1189.200       88.97179 124.7351 6.567391 117.9423 4.417543 6.792824       7.914879 
1 1 1 0   10 10 o 32.12362 9.175919 90.75024       52.83871 118.7359       70.70831 55.35921       79.51503 36.76496 10.64871 29.94545 11.33410 6.819511       15.55175 
1 1 1 0   10 11 o 204.3179 4.883163 3571.588       170.3765 3746.422       239.9792 3393.900       241.9301 209.0705 6.721695 198.9448 7.121237 10.12572       9.792507 
1 1 1 0   10 12 o 242.2163 6.001737 5026.993       248.2460 4799.515       350.2550 5256.608       351.8963 236.2190 8.682956 247.2832 8.333321 -11.06419      12.03486 
1 1 1 0   10 13 o 69.13314 5.752633 412.3868       67.29669 356.2378       96.81590 464.8775       93.60888 63.66045 9.170435 73.16528 7.603257 -9.504833      11.91245 
1 1 1 0   10 14 o 132.1661 4.515091 1495.216       101.9033 1464.897       145.5529 1524.365       142.7152 130.6408 6.524391 133.2928 6.269915 -2.651947      9.048730 
1 1 1 0   10 15 o 194.4324 5.043256 3239.179       167.4486 3301.148       240.1869 3180.578       233.5679 195.9312 7.178666 192.3326 7.111454 3.598663       10.10475 
1 1 1 0   10 16 o 235.8055 5.625702 4770.512       226.5336 4776.925       321.0702 4764.154       319.6682 235.3920 7.987417 235.0840 7.962957 0.3079987      11.27863 
1 1 1 0   10 17 o 63.13686 5.958858 345.3592       63.48649 330.6543       94.29250 357.5530       85.86499 61.12052 9.329860 63.88062 8.050034 -2.760094      12.32272 
1 1 1 0   10 18 o 212.5533 19.42652 4145.182       697.3270 4412.219       958.5605 3845.000       1016.310 212.8304 26.98026 194.1456 31.75260 18.68480       41.66727 
1 1 1 0   10 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   10 20 o 120.9626 5.158317 1255.902       106.5519 1212.991       152.2678 1297.077       149.1546 118.2860 7.578148 122.4288 7.165536 -4.142815      10.42944 
1 1 1 0   10 21 o 165.8224 5.437035 2362.870       153.9597 2238.978       218.9432 2484.059       216.5406 160.8273 7.972048 169.5394 7.479401 -8.712067      10.93138 
1 1 1 0   10 22 o 125.8071 5.740459 1363.331       123.3258 1310.549       184.7825 1405.726       165.6069 122.2932 8.909504 127.0935 7.666388 -4.800262      11.75384 
1 1 1 0   10 23 o 23.55693 10.20340 -6.091308      75.67413 -2.304063      123.3304 -8.378145      95.83542 30.17234 13.04733 26.33464 11.44446 3.837696       17.35536 
1 1 1 0   10 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   10 25 o 22.82154 8.944140 29.29012       50.74698 33.42113       146.6141 28.72785       54.09042 34.20018 14.49273 23.24779 9.195140 10.95240       17.16362 
1 1 1 0   10 26 o 51.30263 6.887333 234.6985       58.81444 428.7503       153.7685 201.4445       63.65468 66.17489 14.04202 47.04230 8.223306 19.13258       16.27271 
1 1 1 0   10 27 o 54.70243 6.457259 266.3340       59.15644 400.3081       130.6882 231.8095       66.34218 64.28326 12.35405 50.45126 7.964741 13.83200       14.69897 
1 1 1 0   10 28 f 71.71274 5.737411 454.1718       69.67266 597.1030       139.8843 407.0154       80.34814 79.39119 10.58145 67.27219 7.101534 12.11900       12.74358 
1 1 1 0   10 29 f 44.49967 7.501059 182.2858       54.97380 162.6028       99.06421 191.0444       66.08250 40.20169 12.80805 44.95878 8.922235 -4.757092      15.60937 
1 1 1 0   10 30 o 63.27093 5.685885 356.9183       60.77740 436.8330       106.8458 318.6910       73.89770 67.66956 9.508547 58.83912 7.527200 8.830433       12.12729 
1 1 1 0   11 1  o 202.6186 4.018768 3508.214       139.0510 3324.465       197.0726 3690.387       196.2258 197.1506 5.853644 207.7368 5.531472 -10.58621      8.053716 
1 1 1 0   11 2  o 214.8356 3.249041 3942.964       119.1965 3956.155       170.3942 3930.323       166.8017 215.1335 4.638151 214.4342 4.555170 0.6992645      6.500924 
1 1 1 0   11 3  f 146.8829 3.738442 1843.495       93.76995 1774.640       136.4403 1905.127       129.0866 144.0485 5.546666 149.2710 5.064116 -5.222549      7.510710 
1 1 1 0   11 4  o 148.7252 3.090104 1889.634       78.48009 1892.809       115.2969 1886.892       107.1280 148.8033 4.537359 148.5822 4.222158 0.2210846      6.197923 
1 1 1 0   11 5  o 68.65797 4.119740 404.3490       48.07839 304.4519       87.09313 448.1354       57.66029 58.91428 8.937413 72.24593 4.699264 -13.33165      10.09755 
1 1 1 0   11 6  o 311.6436 6.458556 8315.237       343.7127 8343.894       351.8407 7716.412       1608.373 312.1613 6.600321 288.8842 33.20716 23.27704       33.85676 
1 1 1 0   11 7  o 166.3580 3.715870 2365.310       105.5617 2314.668       187.2817 2388.890       127.7967 164.3874 6.671522 167.1480 4.477303 -2.760620      8.034640 
1 1 1 0   11 8  o 74.24516 3.557025 471.1346       45.09797 583.4647       69.06704 387.6463       59.54370 82.43863 4.928702 67.10421 5.237669 15.33442       7.192029 
1 1 1 0   11 9  o 205.2669 4.023427 3602.770       141.0318 3824.260       250.8947 3500.457       170.5220 211.1796 6.957250 202.2575 4.937123 8.922119       8.531033 
1 1 1 0   11 10 o 158.2132 3.722208 2140.231       100.5646 2364.099       174.9416 2029.745       122.9004 166.0807 6.168393 154.0137 4.672961 12.06702       7.738581 
1 1 1 0   11 11 o 261.2132 5.664156 5846.759       252.6576 5582.509       356.5809 6113.186       358.0472 254.7451 8.196913 266.6576 7.862929 -11.91254      11.35848 
1 1 1 0   11 12 o 300.0637 6.243120 7724.262       319.9021 7498.977       452.0325 7950.301       452.7882 294.9126 8.975826 303.7375 8.729610 -8.824890      12.52085 
1 1 1 0   11 13 o 131.5647 4.673731 1482.236       105.0038 1567.404       147.4122 1394.512       149.6078 135.1210 6.388645 127.2080 6.913085 7.913010       9.413051 
1 1 1 0   11 14 o 250.3264 5.758686 5376.535       246.1682 5073.008       347.6901 5681.618       348.5805 242.4949 8.396295 256.7658 7.949944 -14.27083      11.56285 
1 1 1 0   11 15 o 139.1194 4.815129 1658.664       114.3925 1712.173       161.0724 1604.211       162.4878 141.1036 6.684687 136.3607 7.001590 4.742920       9.680253 
1 1 1 0   11 16 o 140.1087 4.940733 1683.161       118.2111 1764.956       170.5513 1607.536       163.9930 143.1750 6.975670 136.4492 7.062240 6.725784       9.926491 
1 1 1 0   11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   11 19 o 76.49282 5.679940 505.5877       73.66396 512.6438       111.6989 500.1569       97.99441 76.42488 8.714621 75.70628 7.686564 0.7186050      11.62015 
1 1 1 0   11 20 o 134.3837 5.690524 1553.116       130.5872 1500.785       194.5756 1596.006       176.1522 131.1862 8.735517 135.6298 7.636634 -4.443573      11.60291 
1 1 1 0   11 21 o 193.5372 5.697986 3226.821       188.3162 3223.130       273.0599 3230.168       260.0545 192.4666 8.308083 192.8508 7.896615 -0.3842468     11.46214 
1 1 1 0   11 22 f 112.3603 6.200975 1095.670       118.5196 1249.741       192.0987 1000.977       150.5997 118.7495 9.553911 106.6817 8.332838 12.06785       12.67728 
1 1 1 0   11 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   11 24 o 62.65208 9.020219 354.7897       93.72423 415.7743       135.2886 298.5113       129.9638 66.45139 12.37761 55.56086 13.76793 10.89053       18.51381 
1 1 1 0   11 25 o 41.18218 11.03582 160.4586       79.18198 91.79420       126.5201 204.6700       101.5222 36.09558 14.12916 46.07879 12.55861 -9.983204      18.90375 
1 1 1 0   11 26 o 48.03198 10.88303 220.3797       87.19888 200.4812       155.5566 229.4974       105.2982 45.34406 16.05844 48.34379 12.61971 -2.999733      20.42377 
1 1 1 0   11 27 o 43.39144 10.90679 183.2358       80.72585 63.06358       128.7251 261.1314       103.6376 33.32648 13.81190 51.37472 12.02571 -18.04824      18.31356 
1 1 1 0   11 28 o 46.68201 11.50791 216.5984       91.15368 216.7972       131.6093 216.4151       126.3717 45.35409 14.79190 45.40302 14.46613 -0.4892349E-01 20.68983 
1 1 1 0   11 29 f 60.70425 8.564653 345.3410       86.31637 403.6894       131.2337 300.8530       114.5914 62.63063 12.70479 53.86174 12.67055 8.768887       17.94309 
1 1 1 0   12 0  o 416.3451 8.203454 14837.02       583.2465 14462.67       826.1087 15209.06       823.5673 410.5236 11.78412 421.0422 11.45438 -10.51862      16.43375 
1 1 1 0   12 1  o 234.6847 3.725054 4707.448       149.2861 4850.531       213.4805 4570.516       208.8408 238.1047 5.250349 231.1262 5.291324 6.978577       7.454145 
1 1 1 0   12 2  o 297.5225 3.917236 7566.813       199.0222 7817.586       283.2752 7322.368       279.6789 302.2444 5.488432 292.5013 5.599253 9.743195       7.840569 
1 1 1 0   12 3  o 190.0588 3.488162 3087.170       113.2105 3110.197       163.8461 3066.134       156.6067 190.6685 5.032169 189.3268 4.843915 1.341751       6.984715 
1 1 1 0   12 4  o 252.3576 6.297398 5455.245       271.3810 5141.371       385.2935 5764.270       382.3054 244.5363 9.226698 259.0363 8.642669 -14.50000      12.64230 
1 1 1 0   12 5  o 262.7273 4.748353 5905.230       213.0346 5669.593       364.5706 6027.409       262.5175 256.9119 8.309896 265.3038 5.794458 -8.391937      10.13065 
1 1 1 0   12 6  o 169.3462 3.728398 2451.813       107.8201 2379.978       154.0619 2520.774       150.9470 166.7271 5.411120 171.6099 5.150867 -4.882813      7.470719 
1 1 1 0   12 7  o 115.7422 3.225302 1145.018       63.74762 1104.538       93.17664 1180.639       87.40534 113.6051 4.802943 117.4778 4.356928 -3.872696      6.484680 
1 1 1 0   12 8  o 85.99940 3.427493 632.2982       50.33545 704.4312       83.82420 591.6202       62.94814 90.52118 5.448101 83.03146 4.455820 7.489723       7.038190 
1 1 1 0   12 9  o 118.8678 3.463957 1208.126       70.31350 1198.726       122.8535 1212.704       85.74616 118.0726 6.114025 119.0524 4.217689 -0.9797821     7.427664 
1 1 1 0   12 10 o 164.4068 3.759887 2311.977       105.5593 2214.440       191.0023 2354.868       126.6600 160.5548 6.966477 165.8637 4.471838 -5.308914      8.278234 
1 1 1 0   12 11 o 94.50240 3.514731 763.8188       56.72008 822.1260       104.6528 739.5676       67.49264 97.66011 6.308990 92.95376 4.251944 4.706352       7.608047 
1 1 1 0   12 12 o 73.25219 5.604773 462.9410       69.57809 465.6984       96.88402 460.0044       99.98585 73.10455 7.885642 72.58961 8.210420 0.5149384      11.38395 
1 1 1 0   12 13 o 92.53455 4.958512 736.0569       78.06829 689.4800       113.0059 778.5801       107.9763 89.15630 7.491901 94.91956 6.704602 -5.763268      10.05387 
1 1 1 0   12 14 o 71.55379 5.347811 441.7003       64.87238 569.3496       96.45892 336.2817       87.65805 81.01942 7.041942 61.81536 8.531489 19.20407       11.06234 
1 1 1 0   12 15 o 210.5464 19.32764 4067.060       687.1519 4306.956       943.1198 3795.614       1003.221 210.2431 26.88466 192.9717 31.53332 17.27138       41.43833 
1 1 1 0   12 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   12 17 o 286.9568 6.458875 7087.515       316.5012 7371.496       451.7208 6813.664       443.5905 291.5157 9.074156 280.1720 9.271618 11.34363       12.97317 
1 1 1 0   12 18 o 92.05495 5.826624 731.5472       91.12131 604.4402       123.6701 882.5060       134.7749 83.00945 8.861337 100.7109 7.900028 -17.70141      11.87155 
1 1 1 0   12 19 o 137.2580 5.928951 1622.190       138.9688 1604.804       218.5412 1633.992       180.0635 135.3181 9.518085 137.1501 7.719646 -1.832001      12.25508 
1 1 1 0   12 20 o 197.4336 5.736770 3360.508       193.4151 3309.928       280.1511 3406.573       267.3576 194.8656 8.418898 197.9274 7.910150 -3.061844      11.55198 
1 1 1 0   12 21 o 17.46358 8.597780 -185.3581      90.53565 -211.0975      150.7019 -170.8223      113.2503 24.80361 11.95391 21.24949 10.27104 3.554115       15.76040 
1 1 1 0   12 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   12 23 o 27.51377 11.11570 36.38980       80.76426 184.0896       150.0559 -23.84724      95.82857 44.93094 15.78595 25.08474 11.15103 19.84620       19.32723 
1 1 1 0   12 24 o 44.89189 10.65047 190.1913       80.41579 515.8152       128.3020 -20.49164      103.2024 74.85144 10.31133 26.11863 11.59318 48.73281       15.51533 
1 1 1 0   12 25 o 143.4126 5.534901 1793.832       135.5499 2100.985       200.5710 1535.604       183.9046 153.7490 7.639304 130.7769 8.277628 22.97215       11.26402 
1 1 1 0   12 26 o 23.79184 10.41052 -3.572550      80.48488 69.36205       149.8154 -33.16245      95.42481 35.23201 14.77439 23.96045 10.84901 11.27157       18.32986 
1 1 1 0   12 27 o 67.22478 8.343123 416.2021       93.71780 641.6450       159.4015 297.1058       115.8572 80.91936 11.89011 54.07946 12.75283 26.83990       17.43587 
1 1 1 0   12 28 o 103.2626 6.476112 955.9002       113.6202 1018.052       160.2983 893.1475       161.0710 104.2335 9.096916 96.83733 9.878635 7.396126       13.42912 
1 1 1 0   13 1  o 82.22326 4.283180 579.9372       59.93190 636.8101       89.89578 534.4351       80.40857 85.96913 6.164352 78.73538 6.026156 7.233749       8.620545 
1 1 1 0   13 2  o 255.1985 6.077036 5582.918       264.8329 5481.327       376.7304 5682.171       372.3682 252.3290 8.743022 256.9714 8.485664 -4.642456      12.18388 
1 1 1 0   13 3  o 158.4193 3.679585 2146.049       99.54258 2255.190       129.4217 1987.971       155.7572 162.3235 4.668999 152.2850 5.989479 10.03851       7.594301 
1 1 1 0   13 4  o 207.1947 4.085737 3672.459       144.5610 3296.229       247.9686 3866.160       177.9243 195.8679 7.413640 212.4997 4.903149 -16.63177      8.888359 
1 1 1 0   13 5  o 316.6303 4.648789 8581.923       251.3589 8233.169       356.3885 8927.125       354.5687 309.6958 6.738861 322.5590 6.437087 -12.86319      9.319245 
1 1 1 0   13 6  o 77.13060 3.522121 508.7309       46.39091 489.8412       72.40232 521.8872       60.42374 75.38357 5.665812 77.94908 4.559221 -2.565514      7.272408 
1 1 1 0   13 7  o 193.0415 3.683565 3187.349       121.4286 3085.329       173.9944 3284.216       169.5439 189.7413 5.369967 195.8005 5.070683 -6.059204      7.385687 
1 1 1 0   13 8  o 241.3999 4.203746 4987.653       173.2908 4863.029       248.7517 5105.163       241.5475 238.0435 6.119383 243.9614 5.798017 -5.917877      8.429937 
1 1 1 0   13 9  o 129.0692 3.411320 1424.800       75.18771 1440.362       108.3611 1410.352       104.4118 129.6558 4.894176 128.3096 4.765280 1.346146       6.830874 
1 1 1 0   13 10 o 43.50586 4.800452 164.1357       35.07025 252.5020       94.39656 149.9857       37.77393 52.98451 10.79928 41.46302 5.468353 11.52150       12.10485 
1 1 1 0   13 11 o 80.79688 3.688307 558.6279       50.88897 608.5859       99.40093 540.8831       59.24132 83.80480 7.010141 79.34662 4.389202 4.458183       8.270864 
1 1 1 0   13 12 o 120.9659 4.980187 1254.736       102.8752 1185.916       144.7677 1324.942       146.2180 117.0997 7.275578 123.8662 6.940618 -6.766495      10.05516 
1 1 1 0   13 13 o 157.1526 19.29020 2277.240       506.8090 2584.230       654.6647 1818.078       800.6442 164.3810 24.03183 129.4545 35.26203 34.92648       42.67247 
1 1 1 0   13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   13 16 o 23.81689 9.175697 32.90882       52.70619 42.23109       85.38209 27.16949       66.99404 29.13316 11.54324 25.28241 10.15554 3.850752       15.37470 
1 1 1 0   13 17 o 243.7030 6.064150 5112.634       252.3671 4760.871       357.6486 5461.471       356.1580 234.0505 8.948393 250.9844 8.309868 -16.93390      12.21178 
1 1 1 0   13 18 o 122.4486 6.174945 1296.351       128.7027 1096.666       205.6779 1424.859       164.9983 111.0752 10.98757 127.9930 7.582826 -16.91784      13.35013 
1 1 1 0   13 19 o 24.53111 10.47593 2.369539       77.65130 -0.5132670     127.0287 4.089462       98.11802 30.75381 13.27021 27.51818 11.76432 3.235632       17.73408 
1 1 1 0   13 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   13 21 o 82.06036 7.008310 591.6092       97.26664 406.5497       150.4531 724.4947       127.4924 65.18615 13.93801 90.36018 8.357033 -25.17403      16.25140 
1 1 1 0   13 22 o 31.12434 11.56568 73.14524       82.00669 166.7655       150.5681 33.66076       97.78249 43.44440 15.74930 29.21012 12.06635 14.23428       19.84029 
1 1 1 0   13 23 o 46.88636 10.45369 207.0041       81.56444 284.9591       130.3081 156.7868       104.5865 53.64842 14.05518 40.77423 13.17818 12.87419       19.26688 
1 1 1 0   13 24 o 58.40515 9.391716 316.0581       90.49506 447.8887       160.0857 254.1472       109.7054 66.58416 14.49084 50.74535 12.69232 15.83881       19.26342 
1 1 1 0   13 25 o 100.8691 6.211276 900.7523       106.4692 919.7095       161.3054 886.1175       141.7277 99.53497 9.609593 98.53809 8.506020 0.9968719      12.83342 
1 1 1 0   13 26 o 56.45344 9.876549 303.7374       91.74542 169.9779       128.5205 442.7305       131.0106 41.10475 14.59218 66.97869 11.88977 -25.87394      18.82281 
1 1 1 0   13 27 o 52.21297 10.36067 267.0156       89.11739 300.5858       150.3431 248.8307       110.6527 51.47204 15.68632 48.62497 13.05242 2.847076       20.40653 
1 1 1 0   14 0  o 243.5301 20.07067 5234.266       827.2387 6068.750       1162.766 4379.005       1177.152 259.2675 26.64179 216.7853 32.82527 42.48215       42.27627 
1 1 1 0   14 1  o 288.6658 4.338145 7133.061       213.8461 7078.077       304.8011 7186.363       300.1018 287.1643 6.215617 289.3871 6.072780 -2.222748      8.689795 
1 1 1 0   14 2  o 109.9485 4.367517 1034.889       82.00225 917.2924       105.0033 1218.731       131.2887 103.2238 5.982567 118.9529 6.487745 -15.72905      8.825074 
1 1 1 0   14 3  o 200.2489 3.830365 3430.921       130.9822 3248.142       188.1383 3602.844       182.4655 194.6037 5.661403 205.0245 5.211623 -10.42076      7.694966 
1 1 1 0   14 4  o 180.9792 3.433239 2801.377       106.1047 2721.120       152.8545 2876.013       147.4034 178.1945 5.023218 183.2362 4.710797 -5.041763      6.886532 
1 1 1 0   14 5  o 226.0576 3.679909 4372.042       142.0555 4310.382       202.5137 4431.771       199.3181 224.2179 5.289106 227.3805 5.133240 -3.162643      7.370536 
1 1 1 0   14 6  o 30.95419 6.277224 85.25300       32.04575 94.95656       54.10241 80.00872       39.77353 32.70964 9.264811 29.91757 7.729932 2.792068       12.06601 
1 1 1 0   14 7  o 70.19590 3.861762 422.9965       46.11324 437.7627       73.76869 413.5257       59.07864 71.13029 6.133123 69.27247 5.028493 1.857826       7.931011 
1 1 1 0   14 8  f 129.0975 3.570102 1426.004       78.70464 1265.629       118.4839 1552.652       105.2908 121.4225 5.714235 134.6170 4.580246 -13.19451      7.323328 
1 1 1 0   14 9  o 40.01583 5.128085 139.5608       34.23580 82.41871       72.03748 156.2326       38.91091 32.01608 10.95382 42.31346 5.516266 -10.29738      12.26440 
1 1 1 0   14 10 o 77.85009 4.398361 520.9177       58.23323 619.2612       103.4672 475.3232       70.45077 84.46334 7.243609 74.19508 5.601728 10.26826       9.156922 
1 1 1 0   14 11 o 212.6689 27.90422 4462.659       988.9312 4462.659       988.9312 0.000000       0.000000 212.6689 27.90422 ?        ?        0.000000       27.90422 
1 1 1 0   14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   14 13 o 197.8805 5.448150 3362.556       184.1000 3434.325       261.5474 3292.079       259.1823 199.4186 7.680381 195.2179 7.774703 4.200775       10.92860 
1 1 1 0   14 14 o 181.7011 5.282414 2835.338       163.9049 2815.886       235.2651 2853.683       228.4771 180.5103 7.632267 181.7942 7.359709 -1.283905      10.60268 
1 1 1 0   14 15 o 196.4467 5.505954 3317.195       184.7052 3084.910       259.0262 3557.491       263.4554 188.7327 8.037012 202.8233 7.606544 -14.09055      11.06585 
1 1 1 0   14 16 o 124.8864 5.797804 1343.257       123.6461 1223.924       185.1804 1439.262       166.0963 118.0876 9.257237 128.6629 7.593354 -10.57532      11.97311 
1 1 1 0   14 17 o 98.06224 6.337143 834.5425       105.5523 780.6953       161.9318 874.3239       139.1844 93.59519 10.30215 99.83632 8.237502 -6.241127      13.19055 
1 1 1 0   14 18 o 231.8128 6.086803 4651.333       240.9509 4813.500       352.9966 4509.860       329.7065 234.0717 8.831200 226.7944 8.513209 7.277283       12.26641 
1 1 1 0   14 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   14 20 o 109.4023 5.997883 1042.820       111.6266 1025.749       168.9399 1056.049       148.7147 106.9974 9.339695 109.2414 8.028196 -2.244049      12.31592 
1 1 1 0   14 21 o 42.51129 11.53691 171.5179       85.89114 -35.82934      155.8527 261.9620       102.9332 31.29448 14.04378 52.47210 11.77660 -21.17762      18.32801 
1 1 1 0   14 22 o 92.07259 6.450678 746.5179       100.7827 595.5356       154.3145 858.8181       133.0864 79.45334 11.72588 97.99578 8.023211 -18.54244      14.20803 
1 1 1 0   14 23 o 20.99242 9.622061 -43.30645      78.04696 229.0152       142.3278 -160.4048      93.33059 47.25800 15.38097 18.34682 8.970023 28.91117       17.80549 
1 1 1 0   14 24 o 102.4355 6.102970 928.7622       106.2722 959.4424       157.9665 903.3959       143.6365 101.9087 9.175590 99.36323 8.548425 2.545425       12.54061 
1 1 1 0   14 25 o 47.13314 11.02498 219.2472       87.15694 224.8592       147.5005 216.2366       108.0346 45.70935 15.67382 45.74750 13.13730 -0.3815079E-01 20.45134 
1 1 1 0   14 26 o 105.2638 6.017730 988.1439       107.7227 1018.219       156.0023 960.7343       148.9296 104.3556 8.837149 101.5102 8.674807 2.845352       12.38336 
1 1 1 0   15 1  o 69.57529 4.867697 416.9582       57.46926 397.9158       102.3974 425.7144       69.43627 67.20466 9.161222 70.17181 5.847827 -2.967155      10.86854 
1 1 1 0   15 2  o 175.5927 4.822829 2642.935       144.6139 2449.226       208.1580 2823.653       201.0567 168.6248 7.228861 181.2082 6.497390 -12.58340      9.719697 
1 1 1 0   15 3  o 140.0164 3.629194 1677.675       86.77428 1529.518       127.7893 1804.441       118.2050 133.4831 5.606169 145.0912 4.770819 -11.60808      7.361375 
1 1 1 0   15 4  o 147.7007 3.385115 1866.385       85.38033 1887.606       127.4150 1849.090       115.0253 148.3601 5.029232 146.8929 4.585542 1.467209       6.805907 
1 1 1 0   15 5  o 86.85278 3.655231 645.6047       54.21264 625.3266       84.27633 659.9190       70.80720 85.12646 5.832644 87.61183 4.750496 -2.485367      7.522429 
1 1 1 0   15 6  o 129.6441 3.393136 1438.082       75.12006 1352.958       111.0848 1509.812       101.9710 125.5745 5.180256 132.7332 4.498785 -7.158669      6.861058 
1 1 1 0   15 7  o 176.4344 11.55732 2734.539       346.2867 2746.881       470.1547 2719.904       511.9581 174.6677 15.93808 172.8451 17.59018 1.822556       23.73682 
1 1 1 0   15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   15 11 o 237.4716 4.645627 4836.223       188.3900 5024.059       334.9782 4749.330       227.8354 240.9461 8.141318 235.0744 5.675627 5.871628       9.924404 
1 1 1 0   15 12 o 30.54772 6.168359 83.16965       31.06899 90.69658       87.97628 82.09715       33.20877 34.13773 12.07794 30.28992 6.606291 3.847801       13.76662 
1 1 1 0   15 13 o 176.0838 5.239504 2664.254       157.5475 2662.974       226.6153 2665.451       219.1823 175.4390 7.564168 175.5970 7.309480 -0.1579742     10.51880 
1 1 1 0   15 14 o 27.96461 10.60451 50.47086       69.69096 -3.466670      85.69574 155.8077       119.7578 25.37016 10.92344 42.41329 14.12370 -17.04313      17.85498 
1 1 1 0   15 15 o 60.00019 8.760094 320.8218       87.11034 358.4211       139.2289 296.6357       111.6665 61.96420 13.53658 56.73442 11.90551 5.229786       18.02720 
1 1 1 0   15 16 o 55.35245 9.481926 277.0762       86.40215 339.7110       138.4502 237.1219       110.5776 59.92926 13.81205 50.25556 12.83829 9.673698       18.85721 
1 1 1 0   15 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   15 18 o 63.77419 8.325280 363.9474       88.50301 460.4820       139.6407 299.1362       114.4183 70.27525 12.07103 56.29099 12.25089 13.98425       17.19866 
1 1 1 0   15 19 f 58.02112 10.36892 311.6437       98.96540 189.2860       154.1120 397.5108       129.1023 45.29142 15.98971 64.88772 12.09618 -19.59629      20.04965 
1 1 1 0   15 20 o 71.25423 8.653955 458.8913       103.1384 476.1626       160.3477 446.7030       134.7011 69.75081 13.94941 68.67179 11.91884 1.079018       18.34789 
1 1 1 0   15 21 f 51.23382 10.53666 248.8832       89.10751 274.4888       125.9115 223.1916       126.1229 52.27967 13.87368 47.15475 14.36661 5.124924       19.97194 
1 1 1 0   15 22 o 43.33868 11.34051 183.8817       84.89928 43.39834       143.9512 258.8101       105.1299 33.34293 14.25187 51.07861 12.21717 -17.73568      18.77165 
1 1 1 0   15 23 o 56.88036 8.686545 300.9416       81.69862 240.9321       120.5762 351.8756       111.0851 48.04749 13.90254 60.05327 11.24550 -12.00578      17.88132 
1 1 1 0   15 24 o 46.09201 11.00949 210.9898       85.46522 91.77212       139.9167 281.9461       107.9430 35.27410 14.48722 52.66985 12.23515 -17.39575      18.96255 
1 1 1 0   15 25 o 33.15645 11.32337 106.2571       76.97871 -9.254852      114.9211 200.2659       103.6742 26.93165 12.07451 43.48896 12.97556 -16.55731      17.72454 
1 1 1 0   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 6  o 178.3496 3.779764 2723.566       115.1168 2864.516       170.0981 2604.454       156.3668 182.6290 5.454158 174.1776 5.257151 8.451431       7.575320 
1 1 1 0   16 7  o 195.7079 3.824660 3280.083       127.8213 3322.345       188.1590 3243.866       174.1822 196.6291 5.603705 194.3691 5.247769 2.260010       7.677278 
1 1 1 0   16 8  o 123.2852 3.908773 1301.953       82.29119 1313.268       137.8572 1295.690       102.5700 123.2871 6.571731 122.8767 4.888202 0.4103928      8.190370 
1 1 1 0   16 9  o 38.45908 6.126458 130.4043       38.88571 111.4562       81.85876 135.9261       44.18994 36.03841 11.65986 39.14318 6.861092 -3.104771      13.52874 
1 1 1 0   16 10 o 175.5233 4.071255 2640.773       122.0296 2873.479       218.3708 2535.107       147.1494 182.3990 7.010843 171.8032 5.015626 10.59579       8.620234 
1 1 1 0   16 11 o 79.51285 4.350284 544.0866       58.84468 564.3846       128.3324 538.6827       66.21603 79.81181 9.609125 79.02732 4.931255 0.7844849      10.80058 
1 1 1 0   16 12 o 170.2821 4.014147 2487.566       116.7251 2622.381       209.9551 2427.257       140.4273 173.9715 7.067184 168.0115 4.894526 5.960037       8.596597 
1 1 1 0   16 13 o 90.79686 4.220589 708.1694       65.44038 881.7814       138.3199 658.1030       74.27934 100.1873 8.155594 87.28235 5.004454 12.90498       9.568608 
1 1 1 0   16 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 16 o 86.45809 6.400414 654.0189       93.82509 657.7037       138.0665 650.8571       127.8941 85.43279 9.631805 85.30080 8.911584 0.1319885      13.12204 
1 1 1 0   16 17 o 35.71014 11.03382 117.0104       74.08123 218.6180       111.5151 36.74878       99.11165 47.59541 13.23857 29.57104 12.17460 18.02437       17.98557 
1 1 1 0   16 18 o 92.34315 6.148270 747.7066       96.39843 901.6126       141.0094 612.6676       132.0839 100.3982 8.299107 81.99177 9.616213 18.40642       12.70223 
1 1 1 0   16 19 o 65.55296 8.282436 389.1966       90.64648 527.9962       124.2624 231.3300       132.5229 75.66545 9.850557 47.98870 14.74608 27.67675       17.73359 
1 1 1 0   16 20 o 60.05933 9.698698 337.3738       96.08142 443.4529       142.7667 249.5511       129.9019 66.95870 12.95423 49.24755 14.48228 17.71115       19.43061 
1 1 1 0   16 21 o 50.22313 10.27824 242.5707       85.18099 281.3689       139.5324 219.5214       107.5469 51.40501 14.97903 46.40469 13.03414 5.000320       19.85598 
1 1 1 0   16 22 o 67.34306 7.632326 413.5860       86.22123 406.1439       127.3238 419.8893       117.1776 63.83213 12.12402 65.88931 10.78767 -2.057171      16.22855 
1 1 1 0   16 23 o 62.71953 8.725688 369.5126       90.92373 504.6995       147.1432 286.0094       115.6444 70.17301 12.74873 52.22460 13.01421 17.94841       18.21812 
1 1 1 0   17 1  o 216.2671 4.048307 4007.679       149.5085 4029.155       218.0668 3988.631       205.3772 216.4155 5.900642 215.4089 5.583244 1.006577       8.123434 
1 1 1 0   17 2  f 79.95111 4.908051 550.6840       66.68530 388.3078       149.5619 590.9743       74.50063 64.94624 13.90494 82.77589 5.298333 -17.82965      14.88018 
1 1 1 0   17 3  o 231.3706 4.085991 4587.604       161.4386 4918.394       234.8384 4291.207       222.2950 239.1367 5.750704 223.3476 5.828362 15.78902       8.187819 
1 1 1 0   17 4  o 13.74600 6.520321 -50.03880      41.16260 -45.26196      92.02236 -51.23365      46.02369 23.69717 10.69868 14.81535 6.987511 8.881820       12.77838 
1 1 1 0   17 5  o 57.90809 5.232236 290.4721       51.18139 304.9489       90.26945 283.6133       62.13382 58.47840 9.354800 56.99212 6.500579 1.486275       11.39166 
1 1 1 0   17 6  o 61.62273 7.484920 333.3712       77.14742 159.3988       122.8691 446.5944       99.12202 42.95877 14.30601 71.25541 8.301738 -28.29664      16.54028 
1 1 1 0   17 7  o 86.11639 4.209401 636.1873       61.90247 594.3264       103.0688 659.8069       77.42122 82.51733 7.392797 87.43992 5.208603 -4.922592      9.043395 
1 1 1 0   17 8  o 138.7771 3.834388 1651.364       90.86900 1662.025       143.9900 1644.308       117.1417 138.7829 6.075673 138.2840 4.960639 0.4989471      7.843580 
1 1 1 0   17 9  o 21.27134 8.262771 25.34509       43.01463 173.3124       91.64687 -16.46009      48.71357 43.38276 11.97723 17.91731 7.958339 25.46545       14.38017 
1 1 1 0   17 10 o 61.72153 5.352120 330.9456       55.85264 250.6745       139.8430 346.1803       60.92270 51.49098 14.99328 63.06154 5.719569 -11.57056      16.04718 
1 1 1 0   17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   17 13 o 107.9002 4.146033 1001.880       76.39357 1140.450       148.4657 951.9800       89.09306 113.8075 7.684305 105.0003 4.968798 8.807175       9.150820 
1 1 1 0   17 14 o 38.93933 10.76199 141.4675       73.94679 43.51575       110.3787 221.2273       99.60268 31.33473 12.86817 48.23665 12.10980 -16.90192      17.67023 
1 1 1 0   17 15 o 155.7938 5.403746 2106.305       143.7629 2334.347       206.9333 1893.558       199.8734 162.8397 7.441631 146.0979 8.042384 16.74178       10.95709 
1 1 1 0   17 16 o 86.09393 7.241273 657.4741       105.4720 699.1838       155.8394 622.2204       143.2717 86.94646 10.72321 82.11913 10.45381 4.827339       14.97563 
1 1 1 0   17 17 o 71.55118 7.592371 459.0337       91.35017 584.9081       147.1662 380.1333       116.5142 78.79219 11.25768 63.31648 11.18510 15.47571       15.86953 
1 1 1 0   17 18 o 36.24154 11.03991 125.2872       74.48035 106.0623       111.1437 140.9576       100.3445 35.55499 13.41375 38.44091 12.92914 -2.885914      18.63039 
1 1 1 0   17 19 o 38.18882 11.01893 142.2498       75.84033 71.90558       113.2292 199.4851       102.1355 32.62597 13.16838 44.40991 12.77953 -11.78395      18.35000 
1 1 1 0   17 20 o 50.32199 10.43323 245.6586       86.71297 94.78696       117.9853 422.8738       127.8718 34.47548 13.59802 65.38069 11.89116 -30.90521      18.06393 
1 1 1 0   17 21 o 33.82952 11.65814 109.3534       81.65160 251.6925       136.3033 29.68544       101.9732 47.81210 14.99865 28.18579 12.02001 19.62631       19.22083 
1 1 1 0   17 22 o 30.99194 11.18717 87.94698       75.85389 111.7928       112.7195 68.21072       102.5477 34.86327 13.42222 30.79273 12.49557 4.070536       18.33835 
1 1 1 0   18 0  o 22.22825 9.483200 -0.4317671     63.51886 -34.60403      118.9170 13.21009       75.13528 28.23808 12.49352 25.27242 10.51952 2.965660       16.33243 
1 1 1 0   18 1  o 82.11572 4.304655 580.6787       60.15222 802.1196       106.4449 476.7868       72.90993 96.06489 6.527433 74.11143 5.807493 21.95345       8.736954 
1 1 1 0   18 2  f 142.5399 3.824769 1742.965       93.09869 1673.889       141.0491 1796.291       123.9289 139.2280 5.932554 144.4582 5.023756 -5.230164      7.773887 
1 1 1 0   18 3  o 60.35507 5.591200 316.8536       56.97177 267.5689       137.2403 327.1151       62.62253 53.22167 14.64167 61.23380 6.068684 -8.012127      15.84952 
1 1 1 0   18 4  o 69.41271 5.861525 419.1163       68.82890 319.1928       96.36889 523.1661       98.33852 59.44815 9.836852 77.17209 7.559162 -17.72394      12.40583 
1 1 1 0   18 5  f 58.05666 5.389391 293.2326       52.82158 176.3572       89.82487 355.0122       65.30663 43.61164 11.78254 63.78024 6.069290 -20.16860      13.25385 
1 1 1 0   18 6  o 45.89817 6.508054 186.2121       49.58048 38.55387       90.63479 249.2679       59.22821 29.09475 11.76803 53.18869 6.667407 -24.09394      13.52556 
1 1 1 0   18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   18 9  o 62.05850 5.916178 336.8366       61.93746 189.5957       122.7256 387.1561       71.74459 45.02361 14.24645 66.44279 6.402482 -21.41919      15.61900 
1 1 1 0   18 10 o 59.57261 5.716381 310.4183       57.43861 363.6432       163.7952 302.9554       61.33342 60.67756 15.69106 58.71957 6.210901 1.957981       16.87557 
1 1 1 0   18 11 o 52.01425 5.882137 237.9684       51.32859 368.2950       132.8616 215.1044       55.64919 62.08220 12.95129 49.17230 6.810115 12.90990       14.63262 
1 1 1 0   18 12 o 18.59238 7.642783 11.21838       38.98384 -27.88762      151.4079 13.99494       40.34406 31.23397 13.94151 19.19344 7.819000 12.04053       15.98445 
1 1 1 0   18 13 o 44.16742 6.577720 174.3420       48.09745 176.7143       131.1453 173.9734       51.69991 43.27588 14.77973 43.95536 7.132170 -0.6794777     16.41062 
1 1 1 0   18 14 o 61.34935 8.587313 342.4550       87.49872 476.8800       120.6833 193.4831       127.0455 71.78415 10.12630 44.51076 14.53396 27.27339       17.71378 
1 1 1 0   18 15 o 27.75199 10.64960 54.26340       70.80859 37.90553       107.3895 66.84515       94.18223 30.04365 12.54688 31.09929 12.18577 -1.055643      17.49049 
1 1 1 0   18 16 o 62.86222 8.435086 362.5556       88.26421 337.5709       143.0900 377.9010       112.1406 56.94571 14.63501 62.86461 10.83746 -5.918903      18.21083 
1 1 1 0   18 17 o 46.15308 10.77183 207.9808       83.34945 257.8464       138.5197 179.6795       104.3550 49.15375 15.07136 42.13433 13.10840 7.019424       19.97439 
1 1 1 0   18 18 o 51.11320 10.14532 251.9511       85.42805 330.2194       140.8152 206.3682       107.4627 55.57491 14.63544 44.71407 13.17875 10.86085       19.69456 
1 1 1 0   18 19 o 119.6902 5.694776 1266.392       116.3958 1444.015       168.6585 1104.862       160.8368 125.6463 7.900854 109.0762 8.707397 16.57010       11.75765 
1 1 1 0   18 20 o 30.47946 11.55089 79.59921       82.65202 57.95575       111.8258 105.6590       122.7055 30.71091 12.81259 34.80993 13.82366 -4.099010      18.84824 
1 1 1 0   19 1  o 66.69379 5.029848 386.2603       56.86364 430.8291       97.10187 362.9987       70.15055 69.49084 8.349898 64.28526 6.478563 5.205582       10.56847 
1 1 1 0   19 2  o 178.6190 3.825386 2742.444       116.6822 2734.353       170.8523 2749.516       159.7353 177.6641 5.631436 178.3257 5.245480 -0.6615295     7.695982 
1 1 1 0   19 3  o 47.37136 6.690936 199.1960       52.61922 143.0357       86.97125 231.6232       66.08699 39.33961 11.91780 50.81039 7.871164 -11.47078      14.28248 
1 1 1 0   19 4  o 73.74185 5.122123 472.3097       64.10078 552.9071       141.6471 451.5533       71.88243 77.62515 10.99300 71.89359 5.907291 5.731560       12.47967 
1 1 1 0   19 5  o 60.40082 6.156157 320.4531       62.60958 283.0169       86.79260 361.0699       90.40443 55.67139 9.468565 63.37127 8.574180 -7.699883      12.77381 
1 1 1 0   19 6  o 96.91885 4.131612 809.1430       68.38010 737.5256       109.3981 855.0654       87.60178 91.51286 7.054876 99.25066 5.186664 -7.737801      8.756298 
1 1 1 0   19 7  o 86.02393 4.430156 640.2375       64.85793 540.9453       111.8904 690.4820       79.59383 77.63800 8.583049 89.11099 5.253778 -11.47299      10.06334 
1 1 1 0   19 8  o 75.05867 4.816935 489.3220       61.41499 466.3218       111.0604 499.4535       73.71071 71.64948 9.296124 75.56423 5.755601 -3.914749      10.93366 
1 1 1 0   19 9  f 142.1829 3.945213 1742.326       95.78992 1892.086       159.5567 1657.932       119.7768 147.0810 6.352672 138.2769 5.072488 8.804092       8.129365 
1 1 1 0   19 10 o 74.07481 6.567566 484.8107       82.21481 552.6836       199.4768 470.9219       90.23537 73.41257 16.33319 72.68383 7.372047 0.7287445      17.91982 
1 1 1 0   19 11 o 81.89218 4.725465 583.2441       65.80215 824.0800       172.3623 542.1547       71.19450 93.97010 10.94628 78.75040 5.325396 15.21970       12.17295 
1 1 1 0   19 12 o 60.41601 5.238667 320.3474       53.51241 460.4183       137.3060 295.2618       58.10700 69.01458 12.09125 57.74649 5.979143 11.26809       13.48882 
1 1 1 0   19 13 o 27.69462 8.954852 68.99051       48.28868 -116.1596      156.6608 88.42846       50.76022 27.44868 12.92937 30.78902 9.052626 -3.340345      15.78349 
1 1 1 0   19 14 o 123.2738 4.007048 1316.397       84.35236 1793.727       175.7396 1173.508       96.15251 141.4029 7.302886 116.0031 4.853879 25.39975       8.768825 
1 1 1 0   19 15 o 57.78035 9.825495 317.7393       93.47665 130.4810       138.8342 473.0240       126.4271 38.19545 14.84238 69.94955 10.94271 -31.75410      18.44015 
1 1 1 0   19 16 o 86.70653 6.855864 676.3306       100.6837 615.2117       158.6806 717.5193       130.2642 78.57371 12.22353 87.92118 8.794153 -9.347473      15.05828 
1 1 1 0   19 17 o 23.28749 10.19660 0.4417044      77.32499 -156.6577      132.7428 81.12899       95.13194 23.04736 11.13518 31.53710 12.27753 -8.489740      16.57498 
1 1 1 0   19 18 o 51.87849 10.25028 265.2365       87.58783 367.3631       144.0299 205.3054       110.3339 57.52344 14.62890 43.63931 13.46262 13.88413       19.88081 
1 1 1 0   20 0  o 257.7718 6.305142 5743.282       277.5442 5326.021       396.6888 6143.400       388.4543 246.3852 9.428298 265.2309 8.576574 -18.84573      12.74560 
1 1 1 0   20 1  o 116.3511 3.995096 1167.345       79.37789 968.5154       119.8691 1322.629       105.9328 104.8407 6.730951 123.4965 5.023125 -18.65574      8.398660 
1 1 1 0   20 2  o 119.8363 3.857544 1237.602       78.94075 1187.519       122.0700 1273.602       103.4938 116.4036 6.162974 121.1861 5.001031 -4.782539      7.936786 
1 1 1 0   20 3  o 70.32591 5.012556 431.0916       59.80322 473.5259       101.4362 408.4839       74.03944 72.46731 8.349602 67.99078 6.454294 4.476532       10.55338 
1 1 1 0   20 4  o 13.80540 6.636809 -64.96446      45.76954 -97.38044      88.64560 -53.18164      53.44440 20.07865 9.537045 16.11072 7.577413 3.967932       12.18082 
1 1 1 0   20 5  o 76.31757 4.515646 505.7965       58.58812 646.6641       100.2835 432.8011       72.18914 85.40411 6.936130 70.08366 6.092504 15.32044       9.231928 
1 1 1 0   20 6  o 139.8883 4.529700 1694.875       108.2063 1716.748       137.9705 1659.923       174.4088 140.1739 5.763908 136.5760 7.506925 3.597885       9.464489 
1 1 1 0   20 7  o 120.1158 4.067441 1246.980       83.43019 1488.713       145.0361 1127.433       101.9946 129.8400 6.562608 113.7553 5.250534 16.08463       8.404518 
1 1 1 0   20 8  o 91.84401 4.536087 731.8721       71.14331 716.3076       132.9902 738.1118       84.20495 88.50622 8.920870 91.78538 5.396060 -3.279160      10.42590 
1 1 1 0   20 9  o 40.94061 7.242507 153.2171       48.78175 213.9887       92.28054 129.6488       57.46765 46.64912 11.62584 37.00365 9.146651 9.645477       14.79261 
1 1 1 0   20 10 o 48.91503 6.444055 215.0516       52.51714 324.9312       113.9119 185.3924       59.18204 57.30578 12.02393 44.75064 8.039941 12.55514       14.46429 
1 1 1 0   20 11 o 58.48220 6.152214 305.3669       60.51952 338.5425       167.4655 300.3833       64.90609 55.07286 16.50475 57.76579 6.704480 -2.692928      17.81451 
1 1 1 0   20 12 o 29.28456 9.755996 78.30667       57.13910 0.000000       0.000000 78.30667       57.13910 ?        ?        29.28456 9.755996 0.000000       9.755996 
1 1 1 0   20 13 o 50.38484 6.652225 229.9774       55.83641 297.9850       165.9809 221.2991       59.29205 51.08739 16.60909 49.13675 7.287068 1.950634       18.13734 
1 1 1 0   20 14 o 31.39335 8.985041 94.47823       50.61190 -44.02591      134.8475 117.1885       54.60386 27.36536 12.58163 34.82841 9.085680 -7.463053      15.51924 
1 1 1 0   20 15 o 62.20152 8.967224 367.4590       92.49727 554.7097       146.4063 243.0657       119.3292 73.94069 12.00699 47.15730 13.88406 26.78339       18.35579 
1 1 1 0   21 1  o 39.54721 7.728990 144.7262       50.32518 188.3017       80.35785 116.6072       64.55161 43.96132 10.78546 34.90795 10.19294 9.053368       14.83988 
1 1 1 0   21 2  o 99.63630 4.291728 861.5385       73.02166 817.6507       116.6724 889.8004       93.62611 95.43811 7.212110 100.6156 5.469711 -5.177528      9.051644 
1 1 1 0   21 3  o 85.21764 4.440292 632.7130       64.39282 461.7972       99.21934 757.0874       84.63910 70.94933 8.349031 92.82336 5.362479 -21.87402      9.922828 
1 1 1 0   21 4  o 72.46011 5.158195 461.4114       63.40942 584.6208       106.4758 393.7006       78.93285 80.16856 7.879383 66.05795 7.109249 14.11062       10.61254 
1 1 1 0   21 5  o 79.63768 4.827458 555.2745       65.34065 551.1344       104.5784 557.9257       83.68591 77.70280 7.995521 79.17865 6.239881 -1.475853      10.14221 
1 1 1 0   21 6  o 72.52357 5.158844 462.7545       63.47345 739.1678       122.0387 360.2528       74.31621 89.99594 8.025156 63.14310 7.010505 26.85284       10.65600 
1 1 1 0   21 7  o 44.80596 7.925333 186.3940       58.42088 234.7265       127.4197 173.5295       65.73756 46.97851 14.46331 42.60373 9.296978 4.374786       17.19364 
1 1 1 0   21 8  o 62.42992 5.530200 345.4657       58.34687 552.7001       120.6697 282.2308       66.65698 76.68233 9.412762 55.67785 7.177846 21.00449       11.83730 
1 1 1 0   21 9  o 24.44209 9.090869 46.50726       50.68896 141.1762       108.9662 20.36446       57.26170 37.81456 13.43501 22.27268 9.219832 15.54188       16.29432 
1 1 1 0   21 10 o 57.01309 6.253300 292.6497       59.88223 265.9766       179.0502 296.0089       63.54121 47.67448 17.19102 57.16230 6.632719 -9.487816      18.42618 
1 1 1 0   21 11 o 42.82834 7.984642 172.7641       56.24840 202.9631       171.3969 169.1191       59.54628 42.86658 16.53769 42.07906 8.577737 0.7875214      18.62988 
1 1 1 0   21 12 o 31.01602 9.440290 93.05137       54.47689 148.3490       136.7815 82.62611       59.39055 38.34368 14.77899 29.61867 9.946833 8.725012       17.81455 
1 1 1 0   22 0  o 59.07286 8.961812 317.3283       87.56579 237.8410       139.8175 368.6272       112.3224 49.17543 15.15242 62.94041 10.84174 -13.76498      18.63167 
1 1 1 0   22 1  o 18.68019 8.324208 -12.79926      53.73753 -11.15298      89.37456 -13.73140      67.25162 24.06924 10.72974 20.84793 9.299603 3.221308       14.19894 
1 1 1 0   22 2  o 18.36307 8.234031 -16.13307      53.46207 50.56596       89.78024 -52.77816      66.54707 28.52002 11.64646 18.27758 8.551192 10.24245       14.44863 
1 1 1 0   22 3  o 87.67785 4.651734 674.3914       69.39852 614.7646       110.6873 713.0129       89.08247 81.56902 8.051463 89.46721 5.863205 -7.898186      9.960082 
1 1 1 0   22 4  o 46.89791 8.126760 206.7564       62.72567 287.2176       111.4859 169.4886       75.87415 52.45918 12.60257 41.11459 10.70258 11.34459       16.53391 
1 1 1 0   22 5  o 109.3377 4.456053 1045.164       83.19981 979.8523       135.2859 1084.891       105.5121 103.2450 7.729377 110.5190 5.609050 -7.274025      9.550117 
1 1 1 0   22 6  o 82.59850 5.249082 604.3892       73.65413 423.6845       137.2105 677.5369       87.29775 63.40196 13.10617 87.05950 5.906938 -23.65754      14.37580 
1 1 1 0   22 7  o 28.14590 9.900361 71.73878       59.03019 -8.154115      133.3929 91.19435       65.82648 28.56469 12.89003 30.92090 10.47149 -2.356207      16.60737 
1 1 1 1   0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  1  o 244.2865 5.925599 5107.382       246.8630 5107.382       246.8630 5107.382       246.8630 244.2865 5.925599 244.2865 5.925599 0.000000       0.000000 
1 1 1 1   0  2  o 70.59370 2.944693 427.7845       35.35789 427.7845       35.35789 427.7845       35.35789 70.59370 2.944693 70.59370 2.944693 0.000000       0.000000 
1 1 1 1   0  3  o 228.5153 6.100627 4471.016       237.6793 4471.016       237.6793 4471.016       237.6793 228.5153 6.100627 228.5153 6.100627 0.000000       0.000000 
1 1 1 1   0  4  o 605.5782 58.63979 33958.30       5933.511 33958.30       5933.511 33958.30       5933.511 605.5782 58.63979 605.5782 58.63979 0.000000       0.000000 
1 1 1 1   0  5  o 380.0748 6.098352 12352.03       395.5774 12352.03       395.5774 12352.03       395.5774 380.0748 6.098352 380.0748 6.098352 0.000000       0.000000 
1 1 1 1   0  6  o 238.4270 4.518961 4861.189       183.8417 4861.189       183.8417 4861.189       183.8417 238.4270 4.518961 238.4270 4.518961 0.000000       0.000000 
1 1 1 1   0  7  o 86.56931 3.103460 642.5202       45.74506 642.5202       45.74506 642.5202       45.74506 86.56931 3.103460 86.56931 3.103460 0.000000       0.000000 
1 1 1 1   0  8  o 29.24701 6.904392 84.23417       29.94726 84.23417       29.94726 84.23417       29.94726 29.24701 6.904392 29.24701 6.904392 0.000000       0.000000 
1 1 1 1   0  9  o 157.4340 4.522659 2122.843       121.3620 2122.843       121.3620 2122.843       121.3620 157.4340 4.522659 157.4340 4.522659 0.000000       0.000000 
1 1 1 1   0  10 o 384.2408 7.795125 12638.90       511.0049 12638.90       511.0049 12638.90       511.0049 384.2408 7.795125 384.2408 7.795125 0.000000       0.000000 
1 1 1 1   0  11 o 90.30051 4.227019 700.9990       64.85638 700.9990       64.85638 700.9990       64.85638 90.30051 4.227019 90.30051 4.227019 0.000000       0.000000 
1 1 1 1   0  12 o 168.0015 4.835532 2416.714       138.4665 2416.714       138.4665 2416.714       138.4665 168.0015 4.835532 168.0015 4.835532 0.000000       0.000000 
1 1 1 1   0  13 o 129.4156 3.945604 1434.361       87.01363 1434.361       87.01363 1434.361       87.01363 129.4156 3.945604 129.4156 3.945604 0.000000       0.000000 
1 1 1 1   0  14 o 174.3996 4.753014 2603.724       141.3144 2603.724       141.3144 2603.724       141.3144 174.3996 4.753014 174.3996 4.753014 0.000000       0.000000 
1 1 1 1   0  15 o 874.1346 15.26915 65596.51       2277.699 65596.51       2277.699 65596.51       2277.699 874.1346 15.26915 874.1346 15.26915 0.000000       0.000000 
1 1 1 1   0  16 o 233.2449 5.615337 4656.687       223.3681 4656.687       223.3681 4656.687       223.3681 233.2449 5.615337 233.2449 5.615337 0.000000       0.000000 
1 1 1 1   0  17 o 293.5345 5.408827 7370.938       270.9141 7370.938       270.9141 7370.938       270.9141 293.5345 5.408827 293.5345 5.408827 0.000000       0.000000 
1 1 1 1   0  18 o 186.4502 4.639955 2976.253       147.5266 2976.253       147.5266 2976.253       147.5266 186.4502 4.639955 186.4502 4.639955 0.000000       0.000000 
1 1 1 1   0  19 o 179.3820 5.752149 2760.434       175.7917 2760.434       175.7917 2760.434       175.7917 179.3820 5.752149 179.3820 5.752149 0.000000       0.000000 
1 1 1 1   0  20 o 65.47772 6.114623 376.3315       66.99960 376.3315       66.99960 376.3315       66.99960 65.47772 6.114623 65.47772 6.114623 0.000000       0.000000 
1 1 1 1   0  21 o 102.7690 7.859380 921.2531       136.0730 921.2531       136.0730 921.2531       136.0730 102.7690 7.859380 102.7690 7.859380 0.000000       0.000000 
1 1 1 1   0  22 o 40.21127 21.47450 206.5224       201.0176 206.5224       201.0176 206.5224       201.0176 40.21127 21.47450 40.21127 21.47450 0.000000       0.000000 
1 1 1 1   0  23 f 22.96670 15.82215 -145.2162      205.5675 -145.2162      205.5675 -145.2162      205.5675 22.96670 15.82215 22.96670 15.82215 0.000000       0.000000 
1 1 1 1   0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  25 o 294.3561 6.671134 7442.272       334.9428 7442.272       334.9428 7442.272       334.9428 294.3561 6.671134 294.3561 6.671134 0.000000       0.000000 
1 1 1 1   0  26 o 108.9939 5.634157 1026.346       104.2259 1026.346       104.2259 1026.346       104.2259 108.9939 5.634157 108.9939 5.634157 0.000000       0.000000 
1 1 1 1   0  27 o 16.83901 10.88823 -0.3487144     73.46042 -0.3487144     73.46042 -0.3487144     73.46042 16.83901 10.88823 16.83901 10.88823 0.000000       0.000000 
1 1 1 1   0  28 o 30.67948 13.99406 120.5673       79.65917 120.5673       79.65917 120.5673       79.65917 30.67948 13.99406 30.67948 13.99406 0.000000       0.000000 
1 1 1 1   0  29 o 23.64730 12.51539 72.10590       67.75494 72.10590       67.75494 72.10590       67.75494 23.64730 12.51539 23.64730 12.51539 0.000000       0.000000 
1 1 1 1   0  30 f 36.29214 12.99095 153.4495       73.55574 153.4495       73.55574 153.4495       73.55574 36.29214 12.99095 36.29214 12.99095 0.000000       0.000000 
1 1 1 1   0  31 o 70.81358 6.974581 448.2241       82.46291 448.2241       82.46291 448.2241       82.46291 70.81358 6.974581 70.81358 6.974581 0.000000       0.000000 
1 1 1 1   0  32 o 13.97825 9.308440 -14.45152      59.98817 -14.45152      59.98817 -14.45152      59.98817 13.97825 9.308440 13.97825 9.308440 0.000000       0.000000 
1 1 1 1   0  33 o 13.94791 9.546883 -39.46694      72.10772 -39.46694      72.10772 -39.46694      72.10772 13.94791 9.546883 13.94791 9.546883 0.000000       0.000000 
1 1 1 1   1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   1  1  o 404.0591 7.075732 13964.07       488.2230 13698.01       690.4487 14230.14       690.4543 399.8317 10.11236 407.5507 9.920907 -7.719055      14.16630 
1 1 1 1   1  2  o 423.9713 5.463292 15363.56       395.5422 15151.16       565.6799 15566.77       553.2884 420.7975 7.872192 426.5613 7.595706 -5.763824      10.93920 
1 1 1 1   1  3  o 508.5079 12.05594 22188.98       1046.889 22134.33       1126.102 22536.98       2841.537 507.6778 12.98935 503.2895 33.24968 4.388367       35.69685 
1 1 1 1   1  4  o 523.0007 7.911362 23405.13       706.5704 23155.03       877.5208 23866.21       1191.482 519.8854 9.884345 527.1085 13.23688 -7.223083      16.52015 
1 1 1 1   1  5  o 446.8618 5.697118 17070.51       434.7408 17335.51       614.8347 16805.53       614.7980 450.0513 8.000082 443.1016 8.125072 6.949677       11.40255 
1 1 1 1   1  6  o 123.3558 2.898711 1299.739       61.06135 1353.122       86.30277 1246.230       86.40491 125.8415 4.016047 120.7649 4.189825 5.076668       5.803729 
1 1 1 1   1  7  o 263.5724 3.500476 5935.946       157.5538 5874.803       222.8119 5997.092       222.8176 262.1134 4.977912 264.8313 4.926950 -2.717957      7.003888 
1 1 1 1   1  8  o 346.0120 5.036490 10240.72       297.5919 10339.77       420.8900 10141.70       420.8270 347.3760 7.095236 344.0210 7.163360 3.355011       10.08247 
1 1 1 1   1  9  o 120.8730 2.609151 1247.985       53.85553 1289.986       76.20042 1206.065       76.12607 122.8664 3.631804 118.7994 3.752470 4.066986       5.222167 
1 1 1 1   1  10 o 56.93800 3.582449 278.0565       34.65486 242.3234       49.62444 312.0714       48.41662 52.94619 5.572206 60.24026 4.744997 -7.294075      7.318775 
1 1 1 1   1  11 o 101.8380 2.972256 885.7580       51.68896 933.9154       72.83599 836.8980       73.36536 104.5566 4.079368 98.97338 4.340809 5.583183       5.956834 
1 1 1 1   1  12 o 737.4441 9.608794 46560.57       1210.041 45992.54       1711.224 47128.64       1711.287 731.9026 13.69152 740.9366 13.52508 -9.034058      19.24541 
1 1 1 1   1  13 o 235.2322 3.828736 4726.785       153.7992 4684.637       214.9613 4770.988       220.1411 234.1286 5.376553 236.2733 5.456127 -2.144745      7.660068 
1 1 1 1   1  14 o 544.0444 7.228398 25317.50       671.5500 24270.71       960.1232 26320.10       939.6384 532.1359 10.56580 554.2714 9.927419 -22.13550      14.49792 
1 1 1 1   1  15 o 193.8764 3.793790 3211.198       125.6030 3232.121       178.1838 3190.534       177.0804 194.4520 5.366038 193.1970 5.367453 1.255066       7.589724 
1 1 1 1   1  16 o 363.4358 4.772807 11290.42       296.2126 11551.91       419.4654 11030.32       418.3526 367.4241 6.685388 359.0169 6.823790 8.407166       9.552932 
1 1 1 1   1  17 o 220.7083 3.792048 4162.938       142.9204 4276.728       202.6011 4050.224       201.6424 223.6080 5.305820 217.5973 5.426583 6.010742       7.589435 
1 1 1 1   1  18 o 349.3212 4.631503 10436.81       276.2796 10837.88       391.3530 10038.34       390.0867 355.6844 6.443204 342.2718 6.674030 13.41257       9.276721 
1 1 1 1   1  19 o 250.6244 4.419960 5373.726       189.1662 5481.573       235.8553 5179.249       316.7204 252.9958 5.459219 245.5833 7.552234 7.412521       9.318760 
1 1 1 1   1  20 o 82.62206 4.832343 586.4653       67.88280 659.8884       112.9062 544.8990       84.95177 87.28053 7.652539 79.45063 6.313480 7.829903       9.920755 
1 1 1 1   1  21 o 101.6811 5.238249 888.4827       90.64630 797.0720       129.0294 977.5616       127.3731 95.87619 7.952700 106.4037 7.049956 -10.52750      10.62767 
1 1 1 1   1  22 o 93.96819 5.064138 759.1387       80.96215 694.8511       137.0197 793.6243       100.3548 89.18382 9.125466 95.93085 6.158552 -6.747025      11.00917 
1 1 1 1   1  23 o 118.0057 12.84412 1236.100       254.6468 1469.497       364.9697 1014.698       355.4682 126.9582 17.28346 103.6548 20.80525 23.30338       27.04767 
1 1 1 1   1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   1  25 o 114.1180 3.962760 1115.439       77.22428 1111.299       107.0360 1119.933       111.5255 113.7394 5.510830 114.0086 5.746903 -0.2691650     7.962170 
1 1 1 1   1  26 o 130.3533 3.808900 1456.068       84.78588 1586.822       120.2583 1326.838       119.5554 135.8723 5.183015 124.1684 5.638404 11.70383       7.658671 
1 1 1 1   1  27 o 133.8147 3.703480 1535.928       84.62836 1492.849       117.5103 1582.346       121.9799 131.6263 5.227948 135.5041 5.271498 -3.877792      7.424294 
1 1 1 1   1  28 o 70.57243 5.078263 431.9035       60.79100 483.9348       82.94597 371.5221       89.35414 74.34428 6.602201 64.57367 8.295005 9.770607       10.60171 
1 1 1 1   1  29 o 65.02163 5.013791 367.6719       55.24086 295.8544       77.83251 440.5693       78.41550 57.38510 8.173538 70.77985 6.562331 -13.39475      10.48193 
1 1 1 1   1  30 o 77.24492 4.312433 516.8386       56.65746 517.4708       76.13574 516.0540       84.81689 76.83730 5.846356 76.47900 6.557818 0.3582993      8.785491 
1 1 1 1   1  31 o 33.91193 8.181621 107.1819       46.83444 64.59502       63.66664 157.4045       69.13908 28.20644 10.23876 40.61298 10.02880 -12.40654      14.33210 
1 1 1 1   1  32 o 59.75925 5.590121 315.9923       56.38366 352.8804       75.03307 268.1428       85.45710 62.50948 7.158227 53.14668 9.776325 9.362797       12.11680 
1 1 1 1   1  33 o 52.03987 8.589314 254.5845       73.66698 228.4451       108.4879 276.9490       100.3492 46.67984 13.08386 52.54631 11.50240 -5.866470      17.42104 
1 1 1 1   2  0  o 496.2599 13.63193 21162.76       1155.230 21162.76       1155.230 0.000000       0.000000 496.2599 13.63193 ?        ?        0.000000       13.63193 
1 1 1 1   2  1  o 237.7507 4.081064 4829.089       165.6903 5242.228       278.6775 4603.188       206.0692 247.5975 6.591036 232.0816 5.199606 15.51598       8.395098 
1 1 1 1   2  2  o 518.5236 34.07723 23965.78       3000.610 24954.09       4243.547 22977.51       4243.458 518.2559 48.51386 495.1814 50.90759 23.07449       70.32195 
1 1 1 1   2  3  o 462.1812 7.411595 18273.35       584.9596 17559.17       1013.312 18630.29       716.3794 452.1479 13.12384 466.4652 8.993359 -14.31723      15.90961 
1 1 1 1   2  4  o 518.2599 6.783853 22971.34       600.3796 22802.23       849.0828 23140.43       849.0471 515.9144 9.637636 519.7391 9.566311 -3.824707      13.57934 
1 1 1 1   2  5  o 308.6156 4.245997 8138.264       223.7688 7946.497       316.4625 8330.017       316.4511 304.8385 6.079257 312.1190 5.937238 -7.280487      8.497539 
1 1 1 1   2  6  o 98.02594 2.804338 820.7867       46.94327 836.9393       66.58083 804.8199       66.19646 98.96625 3.939673 97.04755 3.994370 1.918694       5.610349 
1 1 1 1   2  7  o 271.4229 3.545285 6295.451       164.3234 6384.135       232.4673 6206.886       232.3096 273.2170 4.982557 269.3914 5.049885 3.825531       7.094168 
1 1 1 1   2  8  f 251.6223 3.940003 5411.642       169.2963 5406.129       239.4497 5417.151       239.3927 251.3607 5.578467 251.6175 5.571448 -0.2567902     7.884182 
1 1 1 1   2  9  o 148.9301 3.242648 1894.907       82.46776 1906.883       115.2198 1882.328       118.0871 149.3593 4.517444 148.3892 4.660132 0.9701080      6.490311 
1 1 1 1   2  10 o 143.5292 3.234449 1759.664       79.27617 1831.193       112.1503 1688.229       112.0766 146.3898 4.486295 140.5547 4.669470 5.835129       6.475399 
1 1 1 1   2  11 o 454.0665 6.028241 17623.74       467.4250 17763.97       661.0947 17483.57       660.9830 455.6173 8.496921 451.9991 8.563489 3.618134       12.06362 
1 1 1 1   2  12 o 297.1518 4.740853 7544.348       240.5674 7570.861       340.2037 7517.832       340.2237 297.5738 6.694875 296.5283 6.718874 1.045441       9.484968 
1 1 1 1   2  13 o 529.7762 6.977910 24001.38       631.2766 23142.44       892.6937 24860.58       892.8260 519.7726 10.05743 538.7820 9.704022 -19.00940      13.97569 
1 1 1 1   2  14 o 322.9165 4.751218 8910.444       261.9975 9041.485       370.7328 8779.704       370.3083 325.1558 6.676788 320.4071 6.767985 4.748688       9.507110 
1 1 1 1   2  15 o 172.4061 2.967284 2538.829       87.36024 2569.619       124.5985 2509.058       122.5198 173.4169 4.207454 171.3618 4.186878 2.055130       5.935707 
1 1 1 1   2  16 o 123.2445 3.168403 1297.573       66.68219 1254.939       95.53960 1338.068       93.11293 121.1677 4.617370 125.1240 4.357801 -3.956329      6.349058 
1 1 1 1   2  17 o 261.5271 3.925098 5845.804       175.2948 5989.901       248.4274 5702.913       247.3846 264.6023 5.497991 258.1750 5.611210 6.427246       7.855799 
1 1 1 1   2  18 o 282.6197 5.010411 6834.274       241.8119 6985.295       301.1958 6560.420       405.5920 285.5690 6.176407 276.3346 8.595123 9.234375       10.58415 
1 1 1 1   2  19 o 180.0988 5.537016 2778.350       170.2897 2169.118       442.3606 2884.340       184.5090 156.2585 16.84424 183.4633 5.889338 -27.20482      17.84412 
1 1 1 1   2  20 o 215.0329 4.055245 3955.948       148.9100 3897.457       209.5509 4015.615       211.6460 213.2214 5.755152 216.4337 5.726421 -3.212280      8.118724 
1 1 1 1   2  21 o 54.57704 4.919817 257.2544       45.35936 236.9005       64.42735 277.2589       63.87191 51.94862 7.478143 56.40528 6.766174 -4.456665      10.08483 
1 1 1 1   2  22 o 160.2183 3.469494 2196.001       94.92490 2178.334       135.1034 2213.226       133.4010 159.4121 4.962986 160.6965 4.861280 -1.284454      6.947178 
1 1 1 1   2  23 o 87.28854 15.19827 694.0669       218.3134 587.5159       328.9636 777.9277       291.8425 78.33572 23.04928 90.99245 19.37591 -12.65673      30.11137 
1 1 1 1   2  24 o 128.7690 4.569436 1421.158       100.4791 1398.191       119.2292 1477.445       186.6524 127.6195 5.470960 130.4423 8.424429 -2.822731      10.04502 
1 1 1 1   2  25 o 127.9124 5.231466 1404.776       114.2715 1465.186       159.2320 1340.627       164.0860 130.1212 7.193993 124.3107 7.768623 5.810524       10.58797 
1 1 1 1   2  26 o 44.25354 6.997989 173.2998       51.12524 157.9214       71.75060 189.1600       72.86633 41.64703 10.17555 45.70610 9.639201 -4.059071      14.01628 
1 1 1 1   2  27 o 147.1181 3.766559 1857.072       94.62648 1857.413       130.5262 1856.693       137.3809 146.8056 5.206586 146.7027 5.483858 0.1028748      7.561828 
1 1 1 1   2  28 o 13.02325 6.321773 -74.07386      44.09066 -52.42976      61.85433 -96.43118      62.86518 17.94583 8.345243 15.88258 7.671011 2.063257       11.33523 
1 1 1 1   2  29 o 53.60168 5.543655 251.7516       50.00981 171.3366       68.46965 343.7068       73.21799 43.00921 9.569355 62.29659 7.004014 -19.28738      11.85870 
1 1 1 1   2  30 o 92.39531 4.116358 736.7188       64.94788 697.9080       87.82332 783.5646       96.48712 89.29150 5.790913 94.54604 6.007364 -5.254539      8.344046 
1 1 1 1   2  31 o 54.88361 6.651143 269.7201       61.06332 217.7592       93.75658 307.9984       80.47105 47.12524 11.70367 57.96180 8.372820 -10.83656      14.39028 
1 1 1 1   2  32 f 51.80807 8.317498 248.5099       71.09576 239.8594       104.9509 255.8463       96.65039 48.71870 12.54081 50.98829 11.38779 -2.269596      16.93971 
1 1 1 1   2  33 o 49.27164 8.167416 226.9368       66.31316 256.3521       98.99370 202.9931       89.31353 50.31688 11.73635 44.75203 11.59354 5.564850       16.49703 
1 1 1 1   3  0  o 524.6012 8.223181 23552.95       736.6667 22125.50       1295.663 24234.82       895.4916 507.0901 14.96253 531.8692 9.859497 -24.77905      17.91890 
1 1 1 1   3  1  o 302.4584 4.488955 7816.380       231.8531 7749.471       327.9320 7883.254       327.8475 301.0543 6.378771 303.6456 6.322705 -2.591278      8.981388 
1 1 1 1   3  2  o 390.9241 6.289685 13066.43       419.8781 13687.58       727.3307 12755.96       514.2151 399.5919 10.65892 386.1086 7.798903 13.48337       13.20740 
1 1 1 1   3  3  o 239.7593 5.702886 4914.229       233.4920 4866.418       330.2346 4962.024       330.1806 238.4408 8.110360 240.7775 8.030338 -2.336670      11.41334 
1 1 1 1   3  4  o 464.6046 7.397673 18473.41       586.9222 18109.13       1016.869 18655.40       718.7275 458.8973 12.97620 466.6243 9.019760 -7.726990      15.80310 
1 1 1 1   3  5  o 307.2939 4.949232 8072.781       259.7130 7912.298       437.6884 8159.992       322.6542 303.8626 8.435016 308.8474 6.117747 -4.984833      10.42000 
1 1 1 1   3  6  o 285.5862 4.398797 6972.587       214.5226 7273.060       303.4528 6672.399       303.3089 291.5058 6.095959 279.1790 6.362098 12.32672       8.811187 
1 1 1 1   3  7  o 124.4607 3.047450 1323.483       64.76954 1334.883       93.17979 1312.826       90.09403 124.9529 4.366902 123.9203 4.257469 1.032562       6.098842 
1 1 1 1   3  8  o 122.9338 3.047381 1291.097       63.97348 1332.158       90.40259 1249.910       90.54188 124.8404 4.240564 120.9206 4.384773 3.919807       6.099887 
1 1 1 1   3  9  o 472.1195 6.429458 19067.04       518.3561 18935.85       733.0829 19198.22       733.0494 470.0483 9.132899 473.3058 9.069630 -3.257477      12.87121 
1 1 1 1   3  10 o 107.8337 2.737628 993.0937       50.41163 974.8187       71.70303 1010.956       70.88955 106.8226 3.930725 108.7862 3.815984 -1.963623      5.478351 
1 1 1 1   3  11 o 323.0239 4.554848 8914.770       251.2525 8764.596       355.3433 9064.912       355.3062 320.1889 6.498901 325.6352 6.389539 -5.446259      9.113832 
1 1 1 1   3  12 f 366.1693 5.490131 11458.82       343.2943 11235.46       485.5414 11682.08       485.4417 362.4077 7.845614 369.5541 7.692316 -7.146423      10.98751 
1 1 1 1   3  13 f 238.3090 3.783149 4851.317       153.9557 4856.108       218.2630 4846.573       217.1934 238.3694 5.362011 238.1362 5.340959 0.2332458      7.568158 
1 1 1 1   3  14 o 301.2464 4.594061 7754.547       236.3309 8026.915       334.5776 7483.333       333.8684 306.3786 6.394940 295.8075 6.609434 10.57114       9.196732 
1 1 1 1   3  15 o 228.7129 3.728392 4469.088       145.6177 4570.479       207.0575 4369.867       204.8296 231.2237 5.243929 226.0890 5.305317 5.134705       7.459570 
1 1 1 1   3  16 o 57.28368 4.768306 282.4725       46.22037 355.3468       65.88976 211.8725       64.85350 64.15845 6.086839 49.09693 8.011652 15.06153       10.06162 
1 1 1 1   3  17 o 49.99793 5.041745 215.9873       42.45854 225.2622       77.44553 212.0016       50.76813 50.41773 9.339138 49.38409 6.153577 1.033634       11.18419 
1 1 1 1   3  18 o 139.6757 4.475210 1668.777       106.7422 1655.880       154.1428 1680.660       147.9595 138.9962 6.494092 140.0569 6.186374 -1.060745      8.969083 
1 1 1 1   3  19 o 56.63638 3.877116 275.6149       37.27225 283.1768       55.33502 269.3347       50.42791 57.20164 5.742376 55.82201 5.355846 1.379635       7.852386 
1 1 1 1   3  20 o 156.4155 3.432703 2092.101       91.68915 2124.676       129.8933 2059.751       129.4439 157.5131 4.829123 155.0822 4.887850 2.430908       6.871063 
1 1 1 1   3  21 o 141.9571 3.215675 1723.236       77.95271 1566.650       106.4608 1904.225       114.4565 135.2459 4.609608 149.1181 4.494776 -13.87224      6.438283 
1 1 1 1   3  22 o 162.1661 3.311955 2249.441       91.71629 2212.638       128.1681 2288.067       131.3015 160.6911 4.670747 163.4027 4.705529 -2.711670      6.630074 
1 1 1 1   3  23 o 47.53796 17.08213 177.3856       176.6324 46.90785       265.8308 280.5293       236.3515 46.31427 19.56430 57.30490 19.82978 -10.99062      27.85645 
1 1 1 1   3  24 o 79.47925 4.328368 542.8427       58.52482 577.7318       76.57384 493.8349       90.75450 81.84321 5.511016 75.36493 7.136771 6.478279       9.016917 
1 1 1 1   3  25 o 74.47330 5.704227 479.5453       71.99212 599.2783       135.5540 432.5048       84.96531 82.39487 9.828017 70.43977 7.163200 11.95509       12.16147 
1 1 1 1   3  26 o 53.90849 7.623040 256.8228       68.21873 270.9445       93.17082 240.5032       100.1596 54.69789 10.35403 51.15384 11.71772 3.544048       15.63684 
1 1 1 1   3  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   3  28 o 121.2103 3.800207 1262.395       78.65903 1302.078       111.7662 1223.450       110.7225 122.7265 5.332982 118.9303 5.451821 3.796242       7.626470 
1 1 1 1   3  29 o 77.94135 4.332283 525.5259       57.43405 508.1992       79.41044 544.5309       83.16781 76.13731 6.160504 78.80494 6.230984 -2.667633      8.762247 
1 1 1 1   3  30 o 61.37043 6.977857 335.7653       71.82778 359.3424       101.9423 312.5206       101.2212 62.25351 9.922446 57.62214 10.68008 4.631374       14.57803 
1 1 1 1   3  31 o 44.26601 8.139028 181.1335       59.25691 235.6187       83.78867 126.6137       83.81517 49.68951 10.21585 36.44937 11.79895 13.24014       15.60701 
1 1 1 1   3  32 o 53.09825 7.291156 256.7159       64.36661 419.2898       95.52984 121.5427       87.10819 67.40150 8.488039 35.65660 12.04600 31.74491       14.73611 
1 1 1 1   3  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   4  0  o 443.2789 6.005809 16801.71       454.6220 16500.88       642.9623 17102.49       642.9030 438.9632 8.577396 446.9169 8.423969 -7.953735      12.02227 
1 1 1 1   4  1  o 359.5981 4.513221 11050.23       277.1443 10976.72       391.9710 11123.73       391.9114 358.2472 6.407213 360.6423 6.363694 -2.395081      9.030447 
1 1 1 1   4  2  o 154.7802 3.094110 2046.380       81.78114 2044.128       115.8110 2048.619       115.5016 154.6622 4.384942 154.8325 4.368418 -0.1703033     6.189570 
1 1 1 1   4  3  o 135.6223 3.193624 1571.276       73.96342 1626.934       124.3626 1540.815       92.00366 137.9434 5.279429 134.2818 4.012232 3.661652       6.631017 
1 1 1 1   4  4  o 267.7945 4.250849 6129.537       194.3924 6164.421       336.8200 6112.114       238.0378 268.2774 7.352109 267.3434 5.214041 0.9339905      9.013309 
1 1 1 1   4  5  o 344.9081 7.792048 10198.78       458.9412 9932.090       663.2426 10443.80       635.7139 339.5724 11.43768 348.4035 10.68507 -8.831055      15.65220 
1 1 1 1   4  6  o 174.7509 3.928560 2610.209       117.2343 2489.298       200.4498 2673.070       144.5308 170.4667 6.885954 176.7968 4.787229 -6.330078      8.386532 
1 1 1 1   4  7  o 334.0199 6.327933 9549.341       360.9409 9425.032       608.5117 9616.815       448.3241 331.0779 10.76309 334.9806 7.837372 -3.902649      13.31422 
1 1 1 1   4  8  o 252.5666 4.187964 5451.046       180.6262 5385.427       255.5296 5516.577       255.3585 250.9362 5.963154 253.9786 5.887777 -3.042389      8.380043 
1 1 1 1   4  9  o 117.4380 3.240904 1178.015       64.99451 1284.888       110.2231 1121.047       80.47367 122.6121 5.264262 114.5501 4.113924 8.061958       6.681080 
1 1 1 1   4  10 o 165.5161 3.120394 2339.804       88.19653 2219.590       124.3793 2461.379       125.0812 161.1821 4.518863 169.7390 4.315275 -8.556854      6.248337 
1 1 1 1   4  11 o 243.6088 3.394703 5068.850       141.2202 4853.894       199.7645 5283.594       199.6665 238.3421 4.908125 248.6758 4.701860 -10.33362      6.796851 
1 1 1 1   4  12 o 324.4758 3.818877 8993.765       211.6021 8853.472       299.3051 9133.955       299.1960 321.8567 5.445649 326.9201 5.359351 -5.063446      7.640532 
1 1 1 1   4  13 o 245.7717 3.360585 5159.517       141.0421 5500.018       200.5641 4826.388       198.3811 253.7065 4.629346 237.6521 4.888287 16.05437       6.732473 
1 1 1 1   4  14 o 175.5269 3.046602 2631.611       91.31905 2653.630       130.7764 2610.658       127.5724 176.2256 4.345686 174.7951 4.273913 1.430511       6.095189 
1 1 1 1   4  15 o 96.15953 2.990829 789.8599       49.11180 814.9283       63.19069 751.6179       78.04768 97.66040 3.789070 93.64001 4.897882 4.020393       6.192440 
1 1 1 1   4  16 o 90.96407 5.651206 710.6328       87.34936 624.3661       202.9007 730.2580       96.77643 83.76178 14.72257 92.16403 6.184876 -8.402252      15.96893 
1 1 1 1   4  17 o 129.7534 3.522649 1438.918       78.05305 1442.566       112.0733 1435.483       108.7682 129.8502 5.054263 129.5380 4.917030 0.3121490      7.051437 
1 1 1 1   4  18 o 236.0110 3.844860 4762.922       154.9582 4921.990       220.1707 4606.788       218.1316 239.7517 5.377691 231.9317 5.507526 7.820007       7.697558 
1 1 1 1   4  19 o 240.5802 3.825719 4950.328       157.1719 5134.558       222.6919 4767.473       221.8597 244.8199 5.326672 235.8792 5.507910 8.940659       7.662278 
1 1 1 1   4  20 o 142.4857 3.071777 1735.694       74.74170 1680.347       105.9128 1790.601       105.4899 140.0986 4.427031 144.6351 4.271057 -4.536545      6.151466 
1 1 1 1   4  21 o 198.2603 3.533219 3362.628       119.6213 3530.784       170.7998 3200.741       167.5860 202.9729 4.927734 193.2312 5.078769 9.741684       7.076472 
1 1 1 1   4  22 o 171.0159 3.405472 2502.090       99.45248 2596.859       141.5840 2409.789       139.7285 174.0602 4.763354 167.6575 4.880452 6.402634       6.819704 
1 1 1 1   4  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   4  24 o 126.4768 3.841815 1369.780       82.97539 1301.862       116.8963 1438.750       117.7987 123.1068 5.560536 129.4492 5.328922 -6.342339      7.701751 
1 1 1 1   4  25 o 74.95006 4.757427 484.0339       60.57446 380.1960       89.29984 572.5337       82.44109 65.75964 8.125049 81.34119 5.977006 -15.58155      10.08668 
1 1 1 1   4  26 o 76.67896 5.258593 508.5165       68.44091 544.0955       119.6244 491.2030       83.44807 78.36861 9.108627 75.08543 6.574407 3.283188       11.23343 
1 1 1 1   4  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   4  28 f 63.20687 5.195240 347.6650       55.57904 323.4450       78.10619 372.5081       79.10459 60.24617 7.773271 64.87975 7.264544 -4.633575      10.63942 
1 1 1 1   4  29 o 42.53556 8.444412 165.7656       59.17340 204.5703       87.12182 132.5341       80.62316 46.48791 11.12337 37.72218 11.48509 8.765732       15.98864 
1 1 1 1   4  30 o 117.7935 4.460493 1201.396       89.72345 1308.463       128.1004 1098.288       125.7097 122.0175 6.167905 111.5146 6.631275 10.50293       9.056316 
1 1 1 1   4  31 o 63.79691 6.214038 362.0840       66.83858 465.2666       96.85508 268.2697       92.35356 71.46107 8.078776 52.81645 10.60795 18.64462       13.33398 
1 1 1 1   4  32 o 63.71954 6.662505 365.3438       71.42365 514.6667       107.8570 248.7227       95.31779 74.53586 8.633718 50.01989 11.41140 24.51597       14.30948 
1 1 1 1   5  0  o 184.9353 3.196061 2921.948       100.9339 3025.499       142.8815 2818.801       142.6030 188.1308 4.447480 181.5834 4.598863 6.547409       6.397626 
1 1 1 1   5  1  o 373.2343 5.084764 11913.06       324.0815 11766.93       458.4005 12059.08       458.2406 370.6364 7.242612 375.2243 7.151557 -4.587982      10.17842 
1 1 1 1   5  2  o 211.0340 3.205470 3805.137       115.5170 3884.108       163.6120 3726.640       163.1206 213.1430 4.495129 208.7727 4.575443 4.370300       6.414115 
1 1 1 1   5  3  o 381.4717 5.342082 12449.39       347.9964 12481.09       492.3095 12417.73       491.9731 381.5835 7.555213 380.6110 7.569341 0.9725342      10.69468 
1 1 1 1   5  4  o 193.8068 4.085093 3210.834       135.1988 3304.382       235.1222 3164.624       165.2508 196.3866 7.011000 192.3490 5.030969 4.037582       8.629297 
1 1 1 1   5  5  o 338.6299 5.954959 9813.788       344.3547 10103.10       597.0154 9669.552       421.5437 342.8133 10.19826 335.9276 7.348438 6.885712       12.56996 
1 1 1 1   5  6  o 33.86900 4.394247 99.69180       24.81596 129.6575       35.83480 72.07877       34.39934 38.53328 5.610575 28.45921 7.101225 10.07407       9.050191 
1 1 1 1   5  7  o 57.13844 4.359076 280.6124       42.21194 289.7484       61.85044 272.6467       57.75335 57.85510 6.365659 56.13100 6.124614 1.724098       8.833601 
1 1 1 1   5  8  o 162.7479 3.717083 2262.612       103.3046 2256.706       180.1762 2265.504       126.0876 162.4559 6.494714 162.8330 4.534485 -0.3770752     7.921040 
1 1 1 1   5  9  o 171.1365 4.363974 2502.111       127.5342 2210.220       214.5306 2661.650       158.6029 160.7430 7.815474 176.4851 5.262608 -15.74217      9.422137 
1 1 1 1   5  10 o 184.8947 3.619274 2920.067       114.2741 3119.019       162.5028 2725.438       160.7277 191.0557 4.980798 178.5869 5.270346 12.46878       7.251544 
1 1 1 1   5  11 o 115.3773 3.492914 1137.058       68.81929 1054.832       98.85814 1214.375       95.86138 111.1006 5.210676 119.2164 4.708751 -8.115791      7.023067 
1 1 1 1   5  12 o 860.3290 9.982141 63416.03       1466.527 62596.45       2074.164 64235.32       2073.802 853.2342 14.23551 864.4100 14.04900 -11.17584      20.00060 
1 1 1 1   5  13 o 381.9094 4.260241 12462.30       277.8410 12019.22       393.2956 12903.72       392.5586 374.9166 6.143027 388.4874 5.917328 -13.57074      8.529452 
1 1 1 1   5  14 o 400.8993 4.841372 13737.67       331.4406 13507.68       412.5245 14156.51       556.6877 397.4052 6.078750 406.5812 8.017934 -9.176025      10.06173 
1 1 1 1   5  15 o 233.3329 7.458521 4663.641       297.1875 5375.044       778.0750 4542.128       321.5682 247.7950 18.52160 230.1978 8.180313 17.59717       20.24765 
1 1 1 1   5  16 o 232.5661 3.669505 4622.603       145.7323 4687.751       206.7597 4558.283       205.4398 234.0871 5.172333 230.8285 5.211867 3.258606       7.342791 
1 1 1 1   5  17 o 131.3665 3.071078 1474.730       68.89335 1478.470       97.34045 1470.978       97.51961 131.4771 4.335522 131.1425 4.354581 0.3345337      6.144845 
1 1 1 1   5  18 o 346.4602 5.107382 10278.28       302.1716 10306.26       427.4579 10250.33       427.2125 346.4366 7.225495 345.4912 7.241109 0.9454651      10.22944 
1 1 1 1   5  19 o 25.66553 6.624942 58.67930       29.23353 49.86388       44.92167 65.15508       38.50177 25.18504 8.649012 27.22605 7.849731 -2.041010      11.68006 
1 1 1 1   5  20 o 232.5161 3.932256 4626.458       156.1337 4672.635       224.0087 4582.830       217.7377 233.4020 5.620285 231.1676 5.515751 2.234390       7.874713 
1 1 1 1   5  21 o 134.8844 3.240907 1556.091       74.65008 1719.163       108.0432 1407.134       103.2614 141.6677 4.466059 128.1440 4.718867 13.52365       6.497183 
1 1 1 1   5  22 o 50.28902 16.14350 222.7169       157.1516 152.1992       236.8312 278.1938       210.0611 49.51905 19.34561 56.29105 18.70361 -6.771992      26.90869 
1 1 1 1   5  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   5  24 f 80.50945 4.302983 557.0829       58.94445 572.8258       82.35735 540.5493       84.40027 81.40022 5.966383 79.00205 6.308713 2.398163       8.683179 
1 1 1 1   5  25 o 97.46966 4.209466 814.8047       70.06455 898.5577       98.20666 727.9826       99.98988 102.0198 5.659280 91.64040 6.430223 10.37939       8.565934 
1 1 1 1   5  26 o 20.51078 8.454816 12.15364       47.87232 -31.21564      69.30510 51.72936       66.20464 20.72099 9.326302 27.59650 10.36468 -6.875517      13.94298 
1 1 1 1   5  27 o 12.56276 6.195182 -102.0898      47.65436 -145.0547      63.88053 -48.17689      71.55793 14.22707 7.044599 19.97823 9.177874 -5.751160      11.56978 
1 1 1 1   5  28 o 30.72022 11.11472 74.47286       74.93733 122.6525       130.8336 50.94984       91.41851 39.09100 14.59220 29.97995 11.92357 9.111048       18.84419 
1 1 1 1   5  29 o 33.00126 10.36563 99.21700       65.07870 120.6156       108.9036 87.33096       81.16487 37.35348 13.41406 32.40283 11.58629 4.950649       17.72510 
1 1 1 1   5  30 o 56.00301 6.552180 279.9136       61.47680 329.7584       87.32471 230.9346       86.56293 59.87785 8.802985 49.13666 10.62562 10.74119       13.79841 
1 1 1 1   5  31 o 86.77818 4.969366 659.1479       73.33371 753.9488       105.5236 570.5970       101.9859 91.88647 6.772801 79.41102 7.614032 12.47546       10.19040 
1 1 1 1   5  32 o 24.86681 9.595452 44.04065       57.71044 29.46240       86.08424 55.94084       77.77641 26.60307 11.17985 28.06349 11.04950 -1.460426      15.71879 
1 1 1 1   6  0  o 76.62086 3.160772 501.6072       41.35634 520.2647       58.84873 483.4018       58.13127 77.88039 4.443354 75.05219 4.557274 2.828201       6.364914 
1 1 1 1   6  1  o 90.53838 3.229001 700.3981       49.92325 630.0419       70.99913 769.2025       70.21174 85.69399 4.871898 94.85438 4.334614 -9.160385      6.521063 
1 1 1 1   6  2  o 163.4596 3.310995 2282.986       92.42106 2260.266       132.7281 2304.369       128.7680 162.5813 4.780690 164.1692 4.593190 -1.587891      6.629660 
1 1 1 1   6  3  o 238.1639 3.873266 4847.470       157.5271 4578.973       225.6413 5102.752       220.0189 231.3519 5.711414 244.2607 5.274782 -12.90887      7.774547 
1 1 1 1   6  4  o 163.8930 3.291561 2294.781       92.12221 2248.934       132.9980 2337.064       127.7230 162.1953 4.801811 165.3540 4.523268 -3.158783      6.596767 
1 1 1 1   6  5  o 305.0051 5.053035 7952.029       263.1851 7898.185       456.4325 7978.848       322.1293 303.6212 8.803238 305.4336 6.176059 -1.812378      10.75364 
1 1 1 1   6  6  o 315.8843 5.034983 8527.729       271.5988 8417.333       471.3433 8582.604       332.3153 313.5321 8.803459 316.8268 6.142237 -3.294678      10.73443 
1 1 1 1   6  7  o 302.5117 4.890594 7819.646       252.6421 8111.328       438.2450 7674.459       309.1909 307.8788 8.335569 299.6301 6.042817 8.248718       10.29550 
1 1 1 1   6  8  o 277.1578 3.970328 6561.936       187.9124 6081.832       327.3377 6797.921       229.4942 266.6824 7.187862 282.0681 4.764482 -15.38571      8.623551 
1 1 1 1   6  9  o 191.6251 4.208220 3136.986       137.7060 3159.249       238.9409 3125.914       168.5042 192.1999 7.280069 191.2605 5.159214 0.9393768      8.922831 
1 1 1 1   6  10 o 251.1009 4.790922 5387.558       205.4325 5319.163       352.6400 5422.692       252.7496 249.3173 8.282802 251.8710 5.876388 -2.553696      10.15563 
1 1 1 1   6  11 o 276.8651 4.003455 6548.642       189.2801 6766.320       321.4259 6433.083       234.1929 281.2880 6.691566 274.3685 4.998475 6.919434       8.352353 
1 1 1 1   6  12 o 413.5789 5.561130 14622.04       392.7565 13897.17       663.2721 15013.46       487.3951 402.7145 9.644785 418.9526 6.812623 -16.23807      11.80820 
1 1 1 1   6  13 o 207.8716 5.093543 3693.790       180.8077 2771.568       455.9665 3865.858       196.9543 178.6316 15.08882 212.6414 5.423951 -34.00975      16.03408 
1 1 1 1   6  14 o 510.4056 6.106629 22290.16       532.2540 23013.35       753.2294 21568.92       752.2134 518.1079 8.513441 501.5194 8.783172 16.58850       12.23204 
1 1 1 1   6  15 o 204.5817 3.755231 3577.072       131.1914 3593.648       185.9419 3560.641       185.1261 204.9555 5.312704 204.0120 5.313859 0.9434814      7.514115 
1 1 1 1   6  16 o 295.1017 4.347476 7447.670       219.0841 7346.333       310.0317 7548.746       309.6320 292.8418 6.199707 296.8631 6.107840 -4.021301      8.702992 
1 1 1 1   6  17 o 480.4053 6.171146 19784.17       506.2623 19309.77       715.9798 20258.53       715.9462 473.6155 8.852642 485.2047 8.640789 -11.58923      12.37063 
1 1 1 1   6  18 o 105.9969 3.141365 960.4500       56.86085 945.2516       79.88432 976.0577       80.95309 105.0919 4.451335 106.7914 4.439104 -1.699455      6.286496 
1 1 1 1   6  19 o 128.6794 3.169841 1415.787       69.65435 1432.458       99.26434 1399.617       97.76502 129.3433 4.494147 127.8534 4.477849 1.489967       6.344170 
1 1 1 1   6  20 o 186.9386 3.554922 2989.674       113.4830 2943.574       163.0368 3033.000       158.0575 185.2915 5.152623 188.1192 4.920170 -2.827682      7.124437 
1 1 1 1   6  21 o 26.91771 6.474260 64.79727       29.39599 16.57296       43.25134 106.1978       40.07460 20.29567 8.157270 34.50549 7.039537 -14.20982      10.77479 
1 1 1 1   6  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   6  23 o 134.9446 3.422577 1558.392       78.86977 1587.343       112.1105 1530.024       110.9755 136.0387 4.825941 133.5549 4.865926 2.483810       6.853243 
1 1 1 1   6  24 o 196.5846 3.748326 3310.062       125.8313 3227.628       178.0883 3392.244       177.8168 193.7989 5.381237 198.7127 5.240169 -4.913757      7.511130 
1 1 1 1   6  25 o 162.4412 3.578392 2261.409       99.26270 2370.373       142.4596 2158.586       138.3863 166.0095 5.025239 158.3987 5.116109 7.610855       7.171304 
1 1 1 1   6  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   6  27 o 36.60685 8.952527 123.0756       55.49973 192.5069       76.19928 44.62547       80.99718 45.63629 10.04956 28.38379 11.24400 17.25250       15.08049 
1 1 1 1   6  28 o 133.2209 3.909628 1528.084       88.94260 1542.338       125.7547 1513.818       125.8130 133.2888 5.524955 132.0288 5.580264 1.259995       7.852674 
1 1 1 1   6  29 o 34.31673 9.115075 109.8799       54.31845 140.4053       69.64366 62.47099       86.79229 38.50933 10.36259 30.21686 11.73720 8.292471       15.65711 
1 1 1 1   6  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   6  31 o 75.50965 5.227318 501.5382       66.98898 450.2242       93.92859 554.6570       95.56609 70.17259 7.980361 78.41483 7.217829 -8.242241      10.76026 
1 1 1 1   6  32 o 77.19834 5.330742 527.1718       69.84391 552.0804       93.05145 495.0301       105.7019 78.00980 7.061640 72.77338 8.676734 5.236420       11.18716 
1 1 1 1   7  0  o 247.6774 4.181887 5241.858       176.8726 5000.380       253.2758 5471.720       247.1094 241.7962 6.133981 252.9633 5.720445 -11.16713      8.387444 
1 1 1 1   7  1  o 94.95480 2.939960 770.1379       47.67167 823.2480       66.94137 715.4880       67.90479 98.15881 3.993589 91.50346 4.345712 6.655357       5.902030 
1 1 1 1   7  2  o 364.5986 5.319098 11363.20       331.1730 10956.49       468.5002 11769.39       468.1987 357.7930 7.667892 370.8596 7.392968 -13.06656      10.65141 
1 1 1 1   7  3  o 250.2895 3.955881 5351.925       169.0782 5382.144       239.3733 5321.837       238.8531 250.9225 5.586428 249.5118 5.605803 1.410736       7.914114 
1 1 1 1   7  4  o 139.3835 2.896825 1659.272       68.95020 1585.474       97.99650 1731.624       97.03127 136.2271 4.212551 142.3718 3.991037 -6.144699      5.802927 
1 1 1 1   7  5  o 390.3040 5.670281 13020.11       377.9284 12525.94       534.9193 13512.63       534.0248 382.6171 8.186948 397.4328 7.868570 -14.81577      11.35520 
1 1 1 1   7  6  o 237.4486 4.286755 4816.728       173.8202 4328.575       300.4721 5062.254       213.0961 224.9499 7.821976 243.3962 5.126959 -18.44627      9.352487 
1 1 1 1   7  7  o 119.5606 3.446311 1220.970       70.36298 1246.941       124.9824 1208.919       85.13695 120.6259 6.087099 118.9587 4.191021 1.667168       7.390361 
1 1 1 1   7  8  o 301.3771 4.927246 7761.174       253.5808 8087.673       367.5227 7464.509       350.3297 307.5303 6.998327 295.4487 6.943731 12.08163       9.858600 
1 1 1 1   7  9  o 145.9261 4.091630 1819.204       101.9603 1842.259       145.5268 1796.976       142.8965 146.8062 5.804927 144.9916 5.771343 1.814590       8.185693 
1 1 1 1   7  10 o 237.5087 5.114163 4821.040       207.4225 4417.715       292.7386 5227.694       293.9447 227.2308 7.544159 247.2233 6.962646 -19.99251      10.26610 
1 1 1 1   7  11 o 215.3857 7.378129 3969.609       271.3720 3904.319       283.9236 4659.458       922.9017 213.5809 7.784616 229.8593 23.85972 -16.27846      25.09754 
1 1 1 1   7  12 o 400.1741 10.21649 13739.80       698.1563 13228.75       2458.172 13784.64       728.1411 379.1793 38.49728 400.7443 10.64011 -21.56506      39.94062 
1 1 1 1   7  13 o 460.2036 6.459151 18126.06       507.6068 18269.59       881.6389 18054.89       620.8322 460.9261 11.20102 459.0253 7.920192 1.900787       13.71832 
1 1 1 1   7  14 o 261.2146 4.921245 5835.671       219.5201 5465.339       370.9442 6035.267       272.3257 252.3579 8.607751 265.5360 6.005696 -13.17807      10.49580 
1 1 1 1   7  15 o 249.8872 4.346680 5340.183       185.4828 5445.238       313.7705 5283.751       229.9655 251.9674 7.292324 248.4530 5.420215 3.514359       9.086073 
1 1 1 1   7  16 o 314.6833 4.482687 8472.549       240.8874 8645.123       337.5906 8293.538       343.8276 317.5688 6.225161 310.9940 6.474212 6.574829       8.981539 
1 1 1 1   7  17 o 171.0127 3.435329 2500.538       100.3226 2361.348       143.1512 2634.883       140.6372 166.0510 5.048375 175.4407 4.694269 -9.389709      6.893639 
1 1 1 1   7  18 o 107.5487 3.215553 988.9885       59.05584 963.6119       84.67452 1013.024       82.40678 106.0773 4.674428 108.7790 4.436252 -2.701691      6.444425 
1 1 1 1   7  19 o 101.0781 3.225958 873.7258       55.68239 826.7913       81.21215 915.3641       76.49313 98.22839 4.841524 103.3928 4.332418 -5.164391      6.496938 
1 1 1 1   7  20 o 115.1763 3.275239 1134.692       64.41810 1110.438       93.30167 1156.785       89.04895 113.8215 4.800241 116.2007 4.487640 -2.379189      6.571242 
1 1 1 1   7  21 o 144.8337 19.64639 1941.984       473.3672 2266.839       625.2159 1505.627       724.6130 153.4300 24.70101 118.6597 34.00823 34.77023       42.03213 
1 1 1 1   7  22 o 158.8133 3.503845 2158.453       95.02410 2080.746       136.0674 2232.431       132.7623 155.7263 5.116702 161.3472 4.818496 -5.620865      7.028410 
1 1 1 1   7  23 o 73.52647 3.668223 462.8814       46.05761 459.4457       66.12639 466.1186       64.18748 72.94711 5.345641 73.50729 5.145955 -0.5601730     7.420022 
1 1 1 1   7  24 o 88.03768 3.509098 663.8901       52.75529 659.7568       75.54109 667.8251       73.70720 87.46610 5.079442 88.02753 4.923041 -0.5614243     7.073688 
1 1 1 1   7  25 o 53.24060 6.171968 248.3236       55.07283 294.1475       81.45891 209.7440       74.74320 57.39525 8.573995 48.06250 9.443578 9.332756       12.75518 
1 1 1 1   7  26 o 118.9887 3.856695 1216.308       78.36514 1298.302       113.0579 1140.486       108.7195 122.5746 5.401302 114.8470 5.543523 7.727623       7.739813 
1 1 1 1   7  27 o 62.09697 5.491738 336.7350       57.63431 342.7686       80.53475 330.4010       82.51580 61.98001 7.780503 60.70469 8.167241 1.275322       11.28007 
1 1 1 1   7  28 o 66.21284 5.642396 384.0756       63.18945 343.3460       93.36817 418.4966       85.83331 61.30172 9.203402 68.51293 7.456783 -7.211212      11.84509 
1 1 1 1   7  29 o 52.14421 7.286631 245.4427       63.11099 264.2156       85.50701 222.9782       93.53746 53.06626 9.796762 47.89141 11.56746 5.174854       15.15858 
1 1 1 1   7  30 o 125.6340 4.099430 1367.781       87.94933 1312.603       122.9045 1425.690       125.9081 122.1200 5.893578 127.3382 5.790196 -5.218163      8.261998 
1 1 1 1   7  31 o 36.15468 11.12051 128.4428       75.34716 157.5855       104.8175 97.28208       108.3860 39.46084 13.21445 33.95639 13.13676 5.504448       18.63320 
1 1 1 1   8  0  o 267.0511 4.582817 6093.133       208.9916 5887.573       295.6956 6298.313       295.4220 262.4172 6.598584 271.4286 6.373608 -9.011444      9.174104 
1 1 1 1   8  1  o 354.5669 5.338727 10743.52       323.2495 10640.83       462.4867 10841.60       451.9819 352.7043 7.678679 356.0361 7.434042 -3.331818      10.68771 
1 1 1 1   8  2  o 138.3326 2.606040 1634.220       61.56126 1699.396       87.70748 1570.931       86.42815 141.0502 3.641338 135.6128 3.732095 5.437454       5.214200 
1 1 1 1   8  3  o 321.9730 4.829628 8857.615       265.5431 8934.535       375.7599 8780.879       375.3098 323.2556 6.807105 320.4605 6.858252 2.795105       9.662934 
1 1 1 1   8  4  o 48.78851 3.674435 204.4764       30.38855 258.8884       45.18204 159.5305       41.06426 54.82800 4.876624 42.81920 5.762243 12.00879       7.548835 
1 1 1 1   8  5  o 413.9139 5.282497 14640.99       373.3801 14252.19       528.8551 15027.41       527.2271 408.1920 7.587004 419.1681 7.365590 -10.97610      10.57424 
1 1 1 1   8  6  o 192.1031 3.753609 3152.378       123.1361 3295.450       207.8793 3075.043       152.8340 196.3369 6.200225 189.7071 4.717746 6.629807       7.791015 
1 1 1 1   8  7  o 96.60570 3.627463 797.2045       59.84221 979.9527       109.5732 719.5283       71.43679 106.8964 6.027186 91.76692 4.558625 15.12951       7.556986 
1 1 1 1   8  8  o 335.4370 4.941429 9615.499       283.0514 10058.22       492.8270 9397.573       345.7686 342.7885 8.419112 331.5379 6.107316 11.25058       10.40100 
1 1 1 1   8  9  o 801.9973 13.12265 55282.68       1797.200 55304.59       2541.897 55260.79       2541.354 799.4921 18.61838 799.1735 18.62182 0.3185425      26.33279 
1 1 1 1   8  10 o 129.9737 4.693279 1443.754       104.1678 1555.112       109.8917 457.5568       327.0294 134.8909 4.770679 72.97819 23.27335 61.91273       23.75728 
1 1 1 1   8  11 o 54.05092 7.675898 255.1551       68.85856 208.9230       197.7493 261.5342       73.45570 51.89966 18.12811 54.66536 8.115191 -2.765701      19.86164 
1 1 1 1   8  12 o 77.70943 4.463657 517.9288       58.98472 416.1531       85.78811 609.1817       81.23219 69.31377 7.360417 84.19420 5.683210 -14.88043      9.299173 
1 1 1 1   8  13 o 393.2026 7.584410 13255.60       509.2607 13337.10       721.4091 13174.64       719.0036 393.5966 10.73318 391.1830 10.76339 2.413605       15.20039 
1 1 1 1   8  14 o 75.52489 4.712302 489.8584       60.47170 466.3715       87.82661 511.0303       83.38589 73.40727 7.094690 76.96285 6.402789 -3.555580      9.556691 
1 1 1 1   8  15 o 213.6380 5.384695 3908.753       196.4452 3927.770       278.6552 3889.963       276.9833 213.8327 7.631170 212.8026 7.622100 1.030090       10.78569 
1 1 1 1   8  16 o 128.6394 3.697714 1415.216       81.22863 1490.558       150.6366 1384.326       96.45332 131.6045 6.725283 127.1822 4.441082 4.422310       8.059320 
1 1 1 1   8  17 o 62.99544 4.143460 341.0814       44.32452 258.6886       88.16353 368.9516       51.27602 53.85968 9.952291 65.47999 4.615217 -11.62031      10.97034 
1 1 1 1   8  18 o 198.2130 4.129729 3363.200       139.7834 3389.383       237.0058 3349.234       173.0941 198.5081 6.991635 197.6636 5.128068 0.8445129      8.670642 
1 1 1 1   8  19 o 99.87906 3.508668 853.5081       59.84373 826.2657       87.89838 877.0463       81.70430 98.00670 5.271352 101.1627 4.729581 -3.155968      7.082097 
1 1 1 1   8  20 o 96.81039 15.08254 849.8790       241.2214 879.8820       260.4049 668.4580       640.3398 98.15977 16.09295 85.63860 32.22049 12.52117       36.01587 
1 1 1 1   8  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   8  22 o 289.5763 4.498846 7189.146       222.4672 7627.647       316.3381 6760.065       312.9220 297.7218 6.222127 280.1646 6.540650 17.55722       9.027457 
1 1 1 1   8  23 o 32.34852 7.042802 93.86478       37.80137 29.55776       56.04430 147.5389       51.20172 23.88129 9.387000 40.63792 7.659145 -16.75662      12.11521 
1 1 1 1   8  24 o 119.2779 3.847561 1220.434       78.36958 1126.208       110.9532 1314.247       110.7098 114.2670 5.686134 123.5307 5.248184 -9.263702      7.737930 
1 1 1 1   8  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   8  26 o 73.20946 4.617070 463.9895       57.42554 360.6342       83.41570 557.1011       79.17416 63.63837 7.841748 79.93288 5.840816 -16.29450      9.777942 
1 1 1 1   8  27 o 20.96951 8.314646 22.70109       44.32931 22.42635       62.17176 22.98520       63.22370 23.68741 9.684491 23.89372 9.767142 -0.2063103     13.75451 
1 1 1 1   8  28 o 40.57904 8.262706 151.9176       55.31092 200.9135       72.63993 84.31481       85.32530 46.35954 9.495002 32.18935 11.82728 14.17019       15.16706 
1 1 1 1   8  29 o 61.91672 6.647347 342.9075       69.18429 562.6184       112.4445 209.0650       87.76253 78.43064 8.533272 46.26044 11.22394 32.17020       14.09941 
1 1 1 1   8  30 o 89.03564 5.067234 695.4534       76.72504 708.0923       120.5107 686.8382       99.49564 88.05457 8.105408 87.61456 6.700871 0.4400024      10.51662 
1 1 1 1   8  31 o 57.96353 7.208330 307.2652       69.80856 353.4800       114.6021 280.0006       88.02390 59.26238 11.73944 53.75194 9.956352 5.510445       15.39297 
1 1 1 1   9  0  o 255.6552 4.033960 5583.539       176.1117 5463.749       249.3555 5702.761       248.7647 252.8283 5.775523 258.3055 5.639663 -5.477264      8.072327 
1 1 1 1   9  1  o 244.9976 4.007395 5127.691       167.6586 4954.004       237.4587 5300.346       236.7532 240.7450 5.776021 249.0279 5.567317 -8.282822      8.022308 
1 1 1 1   9  2  o 273.0971 4.265274 6371.843       198.9142 6230.392       278.3733 6519.418       284.3359 269.9680 6.038282 276.1593 6.029343 -6.191345      8.533102 
1 1 1 1   9  3  o 409.1400 5.263143 14305.96       367.7214 13980.50       520.4745 14630.31       519.5999 404.2631 7.539343 413.5701 7.357293 -9.307007      10.53430 
1 1 1 1   9  4  o 53.14012 4.032722 242.6338       36.32219 204.8523       56.06444 269.9623       47.68223 48.44642 6.978087 55.97882 5.042162 -7.532406      8.609129 
1 1 1 1   9  5  o 234.5888 4.727687 4702.512       189.3904 4717.284       319.5682 4694.516       235.1320 234.7861 7.970567 234.3388 5.875781 0.4472656      9.902259 
1 1 1 1   9  6  o 339.8653 4.333542 9869.346       251.5080 9536.071       357.3898 10196.34       354.0063 333.9506 6.266976 345.3391 6.002932 -11.38849      8.678144 
1 1 1 1   9  7  o 298.1790 5.362422 7600.106       273.0486 7596.864       468.4663 7601.774       336.0288 297.7856 9.212399 298.1245 6.600500 -0.3389587     11.33291 
1 1 1 1   9  8  o 86.56289 4.161977 640.2672       61.52240 673.2410       117.4195 627.7894       72.23088 88.33162 7.866682 85.55795 4.965149 2.773666       9.302547 
1 1 1 1   9  9  o 164.0002 6.686640 2301.553       187.2640 2635.937       616.2308 2267.533       196.5596 172.5409 21.37192 162.7623 7.071941 9.778641       22.51158 
1 1 1 1   9  10 o 235.9061 4.730447 4757.846       190.5651 4872.903       270.6564 4644.736       268.3577 238.5921 6.642941 232.9299 6.746630 5.662125       9.468140 
1 1 1 1   9  11 o 365.5133 7.197008 11446.79       449.2179 11624.62       635.2950 11268.97       635.2851 367.7210 10.11708 362.0129 10.27644 5.708038       14.42083 
1 1 1 1   9  12 o 241.7112 5.360796 4999.784       221.2728 4791.796       313.6304 5205.916       312.2283 236.3354 7.771188 246.3878 7.420808 -10.05240      10.74522 
1 1 1 1   9  13 o 71.71258 5.187825 442.4879       63.10167 458.3553       91.99329 428.3879       86.71861 72.69369 7.519363 70.27987 7.333717 2.413818       10.50353 
1 1 1 1   9  14 o 132.1534 4.224452 1494.070       95.33463 1372.324       136.0341 1611.577       133.6447 126.5050 6.297064 137.1424 5.706610 -10.63737      8.498141 
1 1 1 1   9  15 o 135.2290 4.681793 1565.560       108.1145 1351.801       154.0348 1773.118       151.7839 125.2222 7.234184 143.7718 6.182301 -18.54966      9.516000 
1 1 1 1   9  16 o 55.14581 6.267084 264.3735       57.96916 361.1122       92.85693 202.5940       74.20557 64.13139 8.703818 47.60541 9.461390 16.52597       12.85591 
1 1 1 1   9  17 o 257.9016 5.747975 5707.781       253.1459 5621.015       358.7052 5793.870       357.3036 255.2617 8.229057 259.2070 8.072140 -3.945282      11.52722 
1 1 1 1   9  18 o 116.4743 4.680594 1162.563       93.09643 1020.950       133.5612 1296.384       129.8343 108.6402 7.240740 122.6701 6.218290 -14.02988      9.544394 
1 1 1 1   9  19 o 71.52808 14.38432 467.7213       169.6087 633.9300       399.9665 431.2798       187.2815 81.06695 25.72601 68.17176 16.30674 12.89519       30.45878 
1 1 1 1   9  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   9  21 o 70.03722 4.353521 422.0280       51.81035 440.2398       102.7183 415.8137       60.00218 70.76433 8.682389 69.41937 5.097200 1.344955       10.06804 
1 1 1 1   9  22 o 180.5673 4.309875 2796.048       132.8941 2604.391       230.2640 2891.771       162.7314 173.4200 7.775439 183.4515 5.194553 -10.03151      9.350981 
1 1 1 1   9  23 o 64.28516 5.886402 359.4012       63.90188 502.3357       135.3861 318.4305       72.48399 74.67313 10.94174 60.19634 7.193824 14.47680       13.09477 
1 1 1 1   9  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   9  25 o 47.16801 6.990593 198.0098       54.60259 114.5840       93.89607 240.6368       67.11803 36.44945 12.50513 51.85272 7.823285 -15.40327      14.75066 
1 1 1 1   9  26 o 82.91410 4.698429 595.8168       66.25122 615.9822       101.1927 580.6888       87.64712 83.50550 7.165721 81.35223 6.359669 2.153267       9.580864 
1 1 1 1   9  27 o 81.63301 4.653531 578.7019       64.60227 742.8746       101.8049 468.0267       83.58794 91.81053 6.536113 72.66924 6.815452 19.14130       9.443048 
1 1 1 1   9  28 o 23.28487 8.998511 35.31696       50.81274 86.35192       86.90034 8.802677       62.63650 32.25969 11.92194 22.23632 9.450143 10.02337       15.21308 
1 1 1 1   9  29 o 52.77393 7.217892 252.9247       63.34253 198.7670       92.45111 300.8407       86.96054 44.63298 11.90900 56.59225 9.323082 -11.95927      15.12429 
1 1 1 1   9  30 o 54.56976 7.547837 273.8481       68.45271 248.9053       102.2203 294.1278       92.17123 49.32878 12.20226 55.08815 10.17270 -5.759369      15.88644 
1 1 1 1   10 0  o 330.1578 5.049353 9316.062       284.6815 8894.618       402.9200 9736.170       402.2816 322.4332 7.317743 337.3723 6.982628 -14.93903      10.11467 
1 1 1 1   10 1  o 395.7443 5.275080 13386.29       356.4886 13170.13       505.4097 13600.30       502.9017 392.3198 7.543995 398.6931 7.386563 -6.373352      10.55809 
1 1 1 1   10 2  o 242.8504 4.409173 5039.362       182.8512 4504.900       264.2453 5530.404       253.2842 229.4962 6.742636 254.3357 5.831748 -24.83949      8.914731 
1 1 1 1   10 3  o 265.5927 4.035977 6026.772       183.0488 6134.135       260.2281 5921.622       257.5330 267.8625 5.689056 263.1792 5.730327 4.683319       8.074776 
1 1 1 1   10 4  o 370.2138 5.169007 11715.40       326.7847 11713.61       468.4553 11717.10       456.0798 369.9695 7.414815 370.0467 7.217426 -0.7727051E-01 10.34750 
1 1 1 1   10 5  o 260.8132 3.905884 5811.955       173.9606 5606.936       247.6584 6011.628       244.4085 256.0771 5.663441 265.1748 5.397370 -9.097626      7.823437 
1 1 1 1   10 6  o 271.6757 3.849207 6306.404       178.5764 6526.799       256.6378 6099.528       248.6422 276.2844 5.439542 267.0872 5.451548 9.197235       7.701169 
1 1 1 1   10 7  o 433.7163 10.17300 16150.33       753.4539 16614.06       811.6586 13260.49       2026.181 439.7430 10.80868 383.1394 31.24042 56.60361       33.05740 
1 1 1 1   10 8  o 136.2205 4.418487 1586.229       102.7822 2030.659       470.4021 1563.947       105.3272 151.5998 18.55809 135.2553 4.560207 16.34453       19.11016 
1 1 1 1   10 9  o 232.7817 4.250988 4632.357       168.9821 4770.409       295.2232 4565.088       206.0799 235.9402 7.327345 231.0132 5.223926 4.927017       8.998855 
1 1 1 1   10 10 o 268.0334 6.073921 6151.709       278.0098 6050.947       393.8373 6251.787       392.4965 265.4317 8.688848 269.8314 8.518073 -4.399750      12.16773 
1 1 1 1   10 11 o 153.3840 4.557729 2012.541       119.3797 2053.650       170.1363 1972.672       167.5502 154.7990 6.436163 151.7135 6.467238 3.085419       9.124109 
1 1 1 1   10 12 o 167.8994 5.010079 2413.229       143.6467 2419.975       206.0695 2406.852       200.3457 167.9037 7.187061 167.4701 7.005528 0.4336395      10.03650 
1 1 1 1   10 13 o 225.0546 5.412090 4339.291       207.9959 4331.061       293.6088 4347.582       294.6953 224.4606 7.659970 224.8855 7.673788 -0.4249420     10.84261 
1 1 1 1   10 14 o 148.1591 4.678754 1879.501       118.3751 1757.439       166.1148 2005.438       168.7313 143.0454 6.800369 152.8486 6.464460 -9.803177      9.382658 
1 1 1 1   10 15 o 105.0343 4.922301 945.2387       88.28790 932.7618       126.9703 956.9186       122.8476 103.8905 7.201333 105.2891 6.870183 -1.398567      9.952820 
1 1 1 1   10 16 f 120.1465 4.666143 1236.739       95.73506 1117.809       136.9933 1350.260       133.8413 113.7553 7.087432 125.3697 6.251668 -11.61431      9.450664 
1 1 1 1   10 17 o 83.87740 4.948356 605.2835       70.56350 568.1083       102.9343 638.2418       96.92065 80.83816 7.543786 85.88229 6.660722 -5.044136      10.06349 
1 1 1 1   10 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   10 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   10 20 f 108.1919 5.013744 1004.550       92.63151 1163.958       136.2380 867.4963       126.3245 115.9962 6.909154 99.96694 7.453531 16.02930       10.16324 
1 1 1 1   10 21 o 49.73513 11.08261 225.3824       91.71799 417.5610       131.8525 45.21264       127.6664 67.94455 11.79164 34.01604 13.88913 33.92851       18.21951 
1 1 1 1   10 22 o 75.63759 7.668928 501.7887       97.68504 657.5391       166.4628 419.9817       120.6418 85.33749 11.73327 68.25056 10.70317 17.08694       15.88167 
1 1 1 1   10 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   10 24 o 86.04281 4.892622 640.7356       71.59132 888.5745       145.8203 562.0248       82.17699 100.0682 8.617408 80.27798 6.038723 19.79018       10.52264 
1 1 1 1   10 25 o 69.78523 5.542956 425.0295       65.51115 240.8718       135.3503 481.3705       74.86463 49.66979 14.82728 74.17144 5.961038 -24.50165      15.98069 
1 1 1 1   10 26 o 171.9001 4.283123 2551.659       125.7299 3118.240       229.8518 2309.747       150.1916 188.1498 7.153886 163.0131 5.395370 25.13672       8.960363 
1 1 1 1   10 27 o 26.65664 9.619219 57.18826       56.07473 73.81953       119.5921 52.50144       63.48609 33.64738 13.54993 26.79918 10.13128 6.848196       16.91873 
1 1 1 1   10 28 o 60.73531 6.353762 329.4323       64.92285 474.8636       132.8055 283.7630       74.42173 69.94044 11.52074 55.57766 8.077969 14.36278       14.07057 
1 1 1 1   10 29 o 67.29953 6.081532 404.2294       69.13683 555.8466       137.9968 353.4193       79.88583 75.63293 11.00746 62.09379 7.699038 13.53914       13.43278 
1 1 1 1   11 0  o 326.8381 4.978144 9132.355       277.8447 9039.280       394.9790 9223.525       390.9159 324.9554 7.117844 328.2672 6.973550 -3.311859      9.964643 
1 1 1 1   11 1  o 66.01923 4.175366 373.9668       46.82999 441.0637       72.97234 326.9838       61.06290 71.55320 6.028256 61.54954 5.881245 10.00366       8.421930 
1 1 1 1   11 2  o 70.23668 3.862647 422.8194       46.15075 458.1325       71.28374 397.3362       60.55491 72.95919 5.768528 67.96451 5.258453 4.994682       7.805591 
1 1 1 1   11 3  o 230.5861 3.417878 4542.758       134.5834 4467.254       191.8120 4615.973       188.8812 228.5828 4.913946 232.3661 4.760077 -3.783264      6.841433 
1 1 1 1   11 4  o 244.7869 3.675321 5120.268       153.6333 5305.252       216.7100 4933.357       217.8350 249.0786 5.094959 240.1740 5.311287 8.904587       7.359917 
1 1 1 1   11 5  o 308.4146 5.514273 8137.131       290.4190 7515.180       401.8139 8817.412       420.2340 296.0896 7.946941 320.7616 7.671971 -24.67203      11.04595 
1 1 1 1   11 6  o 167.0465 3.868985 2385.005       110.3663 2823.408       216.1442 2230.390       128.3612 181.5443 6.972028 161.5043 4.654229 20.03998       8.382782 
1 1 1 1   11 7  o 219.7615 3.691124 4127.791       138.5199 3916.320       198.1169 4330.040       193.7496 213.9320 5.423053 224.9817 5.043031 -11.04967      7.405516 
1 1 1 1   11 8  o 94.16464 3.513528 757.8727       56.49802 797.4260       103.7368 741.1927       67.36562 96.27112 6.345663 93.10081 4.237239 3.170303       7.630310 
1 1 1 1   11 9  o 160.4814 3.897464 2202.114       106.8092 2125.358       191.8356 2236.598       128.5830 157.3964 7.137276 161.6839 4.657094 -4.287445      8.522278 
1 1 1 1   11 10 o 149.8922 3.854909 1921.358       98.67229 1823.386       176.0304 1966.246       119.1512 145.7519 7.072478 151.5827 4.603064 -5.830841      8.438492 
1 1 1 1   11 11 f 126.0337 4.820307 1359.906       103.7441 1384.721       148.5455 1336.277       144.9530 126.8182 6.885046 124.5804 6.839758 2.237770       9.704955 
1 1 1 1   11 12 o 51.75350 6.435703 233.3690       55.64885 202.1224       82.47499 259.4839       75.39890 47.42496 10.46443 54.26649 8.408387 -6.841534      13.42406 
1 1 1 1   11 13 o 85.43588 4.962886 627.4695       72.09433 639.4916       104.3397 616.4863       99.72999 85.94164 7.175203 84.40215 6.982127 1.539490       10.01167 
1 1 1 1   11 14 o 162.9833 4.934212 2276.437       137.3291 2213.521       194.8783 2338.501       193.5539 160.3977 7.114813 164.9056 6.873289 -4.507904      9.892556 
1 1 1 1   11 15 o 139.6495 4.826565 1671.501       115.1011 1724.747       167.6650 1624.040       158.2941 141.5699 6.935369 137.4035 6.746287 4.166336       9.675316 
1 1 1 1   11 16 o 243.5390 5.648117 5092.610       234.8952 5251.560       332.6572 4934.545       331.7287 246.6536 7.897826 239.0164 8.127432 7.637115       11.33273 
1 1 1 1   11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   11 18 o 182.0488 5.318204 2844.936       165.3312 2755.647       234.3445 2933.420       233.2863 178.6519 7.681484 184.3958 7.408605 -5.743820      10.67205 
1 1 1 1   11 19 o 156.8584 5.310183 2113.043       142.2391 1803.514       192.0565 2489.077       211.6862 144.2222 7.827523 169.8076 7.300178 -25.58537      10.70340 
1 1 1 1   11 20 o 70.63744 9.035623 441.0751       106.4943 543.5093       166.4934 370.1482       138.5415 77.25565 13.08740 63.43527 13.21814 13.82038       18.60106 
1 1 1 1   11 21 o 52.76963 10.66942 254.0515       92.83996 94.96862       133.3909 403.5168       129.2959 37.89992 14.59841 66.47427 11.82343 -28.57436      18.78582 
1 1 1 1   11 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   11 23 o 99.28162 6.182336 858.8427       104.2950 919.8137       157.8099 811.5604       138.9705 101.5545 9.199698 95.60415 8.604423 5.950317       12.59645 
1 1 1 1   11 24 o 34.95627 11.69475 108.0742       82.09427 88.73286       147.8996 116.6868       98.69409 37.64864 15.10113 36.70571 12.80760 0.9429321      19.80098 
1 1 1 1   11 25 o 112.2804 6.086999 1103.787       116.2742 1242.340       186.2486 1015.299       148.8428 117.1946 9.385176 106.5762 8.242431 10.61840       12.49076 
1 1 1 1   11 26 o 115.3295 5.826163 1167.226       114.3711 1164.561       170.6551 1169.399       154.0992 113.1936 8.900456 114.1198 7.957266 -0.9262085     11.93885 
1 1 1 1   11 27 o 47.67305 10.26329 218.5822       81.08052 345.3836       128.6973 135.1301       104.4062 58.36559 13.21929 37.67999 13.17158 20.68560       18.66119 
1 1 1 1   11 28 o 27.30573 9.670728 64.09868       56.41639 -51.54800      123.8244 94.39424       63.37664 26.17808 12.04340 31.66898 10.26087 -5.490906      15.82178 
1 1 1 1   11 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   12 0  o 137.7803 3.399430 1622.244       79.98254 1720.298       118.5669 1540.364       108.3475 141.8184 4.895859 134.2049 4.727687 7.613525       6.805913 
1 1 1 1   12 1  o 267.1638 3.884541 6101.216       177.2227 6205.582       254.1501 6002.438       247.2536 269.2840 5.526851 264.8462 5.466974 4.437744       7.773923 
1 1 1 1   12 2  o 204.2543 3.433130 3565.389       119.7466 3595.487       174.4107 3538.549       164.7008 205.0121 4.981860 203.4006 4.741783 1.611557       6.877749 
1 1 1 1   12 3  o 178.2033 4.439840 2715.739       135.1092 2770.883       190.9769 2660.483       191.1697 179.8672 6.217659 176.2357 6.352186 3.631516       8.888732 
1 1 1 1   12 4  o 160.7726 3.904325 2209.810       107.1914 2235.080       134.7444 2166.253       176.9031 161.6306 4.881861 158.9977 6.515423 2.632874       8.141456 
1 1 1 1   12 5  o 60.01385 4.381234 309.6884       44.59011 295.5142       88.41016 314.5240       51.63902 57.90372 9.252664 60.41408 5.051751 -2.510361      10.54191 
1 1 1 1   12 6  o 75.36221 3.615281 485.5446       46.52620 489.2416       75.62331 483.2929       59.01771 75.33749 5.926012 75.01482 4.629790 0.3226776      7.520144 
1 1 1 1   12 7  o 140.8083 3.283087 1694.800       78.94280 1560.011       113.5999 1820.680       109.7820 134.9977 4.927762 145.8779 4.406963 -10.88026      6.610912 
1 1 1 1   12 8  o 113.4681 3.949077 1101.245       76.51938 1308.513       138.4292 1010.047       91.82312 123.3186 6.597425 108.6137 4.950686 14.70486       8.248352 
1 1 1 1   12 9  o 279.7473 4.937176 6701.596       235.8558 6452.151       410.6890 6824.352       288.1033 273.6234 8.789373 282.1048 5.980478 -8.481354      10.63105 
1 1 1 1   12 10 o 129.6620 3.406717 1437.632       75.43111 1451.972       137.2267 1431.423       90.29626 130.0845 6.177477 129.3391 4.088256 0.7453918      7.407771 
1 1 1 1   12 11 o 112.6616 3.646745 1085.779       70.15895 1108.213       127.3189 1075.996       84.07578 113.3876 6.604041 112.1054 4.391800 1.282288       7.931032 
1 1 1 1   12 12 o 160.5347 4.712176 2207.830       129.1791 2046.219       183.7425 2365.779       181.6492 154.2402 6.976056 165.9418 6.410262 -11.70158      9.474008 
1 1 1 1   12 13 o 169.3918 4.857067 2459.306       140.4974 2423.220       199.4508 2494.849       197.9445 167.8084 6.960173 170.2995 6.806571 -2.491028      9.735164 
1 1 1 1   12 14 o 92.68880 5.085588 739.0216       80.18772 616.7343       112.0270 867.5050       114.8301 84.17953 7.885044 100.1805 6.751657 -16.00100      10.38069 
1 1 1 1   12 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   12 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   12 17 o 125.6098 5.178727 1354.365       111.0832 1304.114       166.8493 1394.372       148.8737 122.5517 8.016842 127.0103 6.889776 -4.458588      10.57066 
1 1 1 1   12 18 o 68.27722 7.955133 408.6750       91.01350 400.0542       141.0564 414.8239       119.1291 66.22647 12.93665 68.14102 10.58101 -1.914551      16.71271 
1 1 1 1   12 19 o 166.5368 5.747444 2388.300       163.4507 2413.476       247.3046 2368.772       217.8040 166.2743 8.740406 165.2934 7.716290 0.9809418      11.65915 
1 1 1 1   12 20 f 29.94359 11.25841 61.34614       78.15553 -11.31855      125.5562 107.3127       99.86138 29.96584 13.06022 36.41354 12.86957 -6.447697      18.33562 
1 1 1 1   12 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   12 22 o 74.74008 7.743609 494.6091       97.39835 647.1990       165.2566 413.3932       120.5636 83.76960 11.88568 67.08700 10.89789 16.68260       16.12555 
1 1 1 1   12 23 o 45.67465 10.51812 195.3672       80.34379 116.1747       126.9507 248.2788       103.7692 38.22717 14.35350 51.04635 12.09046 -12.81918      18.76705 
1 1 1 1   12 24 o 60.11011 8.514585 327.7412       84.95621 295.3170       132.0231 350.6566       110.9885 54.55795 14.07686 61.07144 11.04910 -6.513493      17.89527 
1 1 1 1   12 25 o 122.0229 5.705178 1302.429       118.8811 1473.765       177.0241 1161.687       160.4427 128.0092 8.140513 113.4561 8.339588 14.55305       11.65404 
1 1 1 1   12 26 o 17.85185 8.581333 -99.92809      76.47784 11.82990       143.6807 -144.1082      90.33841 31.44917 13.83151 18.34820 8.938807 13.10096       16.46855 
1 1 1 1   12 27 o 63.01743 9.004369 371.6301       94.14309 211.0807       162.6723 452.4817       115.4393 44.57390 16.33775 68.89071 10.11388 -24.31681      19.21490 
1 1 1 1   12 28 o 22.38879 9.964127 -11.20462      76.73257 163.1575       123.0129 -122.2595      98.17335 39.71675 14.25721 19.98418 9.635518 19.73257       17.20788 
1 1 1 1   13 0  o 87.77848 3.739682 658.8621       56.05633 629.0815       85.58564 681.2358       74.18275 85.47596 5.899590 89.07549 4.895674 -3.599525      7.666341 
1 1 1 1   13 1  o 163.7876 3.434665 2293.427       96.06548 2174.151       139.2938 2401.617       132.6628 159.3483 5.118967 167.5190 4.637494 -8.170639      6.907255 
1 1 1 1   13 2  o 160.3243 4.586155 2199.737       125.5597 2018.065       182.3089 2363.668       173.1790 153.3314 6.962656 166.0434 6.107618 -12.71196      9.261834 
1 1 1 1   13 3  o 93.89281 3.876498 753.9967       62.15468 781.5790       79.11995 709.5385       100.4494 95.42464 4.871614 90.71102 6.528286 4.713623       8.145620 
1 1 1 1   13 4  o 125.0146 3.222557 1336.028       68.79604 1244.896       98.67471 1422.227       95.96639 120.5879 4.791815 128.9203 4.359092 -8.332329      6.477899 
1 1 1 1   13 5  o 218.8496 3.744690 4096.320       139.9470 3994.058       199.4692 4195.456       196.3964 215.9034 5.410214 221.3098 5.196740 -5.406433      7.501768 
1 1 1 1   13 6  o 203.0911 3.912868 3528.471       135.7025 3307.135       198.3746 3723.144       186.0431 196.3764 5.915545 208.4618 5.226190 -12.08540      7.893461 
1 1 1 1   13 7  o 152.3438 3.422324 1984.679       89.03233 2148.118       132.6960 1850.863       120.0701 158.3639 4.906817 147.0105 4.782825 11.35335       6.852172 
1 1 1 1   13 8  o 136.6067 3.686007 1596.416       85.98647 1482.377       147.4892 1655.135       105.8333 131.1976 6.604272 139.0349 4.457552 -7.837372      7.967822 
1 1 1 1   13 9  o 150.0731 3.971249 1927.493       101.7728 2043.015       181.9286 1874.875       122.7820 154.1403 6.911668 147.9246 4.860629 6.215683       8.449667 
1 1 1 1   13 10 o 117.6067 3.770377 1183.618       75.72144 1190.658       135.8730 1180.446       91.19616 117.4670 6.802653 117.3891 4.549325 0.7789612E-01  8.183670 
1 1 1 1   13 11 o 128.4459 3.628498 1411.765       79.58826 1531.863       142.4481 1357.260       95.96371 133.5115 6.247928 125.8714 4.464555 7.640129       7.679118 
1 1 1 1   13 12 o 205.5905 5.219315 3626.178       183.2393 3709.498       260.1808 3544.180       258.1105 207.4561 7.344247 202.7518 7.454854 4.704285       10.46484 
1 1 1 1   13 13 o 129.8818 20.03813 1573.658       430.1363 1668.094       533.7183 1398.652       726.5578 131.0492 24.75661 113.9672 34.42856 17.08202       42.40537 
1 1 1 1   13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   13 15 o 114.3203 5.251633 1121.894       102.5226 996.4374       155.5221 1218.313       136.3416 106.9311 8.589472 118.7374 6.752069 -11.80627      10.92563 
1 1 1 1   13 16 o 168.9311 5.311094 2451.005       153.2129 2281.317       213.2511 2632.048       220.2711 162.4580 7.686843 174.5810 7.388539 -12.12297      10.66199 
1 1 1 1   13 17 o 91.87479 6.983333 733.1657       108.7422 668.1177       156.3928 794.0485       151.3028 86.64646 10.80451 94.98749 9.453370 -8.341026      14.35631 
1 1 1 1   13 18 o 208.7693 5.890267 3758.597       209.9924 3518.436       298.2184 3994.792       295.7451 200.8202 8.696112 214.2950 8.081719 -13.47475      11.87167 
1 1 1 1   13 19 o 120.1298 5.817147 1246.940       119.3336 1204.098       178.2860 1281.712       160.6195 116.7689 9.010728 120.9832 7.816271 -4.214302      11.92842 
1 1 1 1   13 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   13 21 o 36.57525 11.75048 120.6570       83.24712 302.8690       150.6388 40.54364       99.88512 55.53544 15.36509 30.08871 12.28542 25.44673       19.67277 
1 1 1 1   13 22 f 17.32101 8.310714 -95.84026      70.99194 217.0694       114.1615 -293.1407      90.65132 47.32666 13.47682 14.78141 7.467752 32.54526       15.40753 
1 1 1 1   13 23 o 63.68826 8.692052 368.7260       92.06459 221.4537       158.1644 444.1949       113.2224 47.37160 16.23072 69.45332 9.820171 -22.08172      18.97029 
1 1 1 1   13 24 o 46.21658 10.52144 204.6580       81.17490 205.5333       128.0307 204.0696       104.9706 45.13662 14.57979 45.27342 12.93364 -0.1368027     19.48972 
1 1 1 1   13 25 o 53.50277 9.601925 270.6812       84.50397 200.6272       131.8983 319.4565       110.0582 44.11096 14.82328 56.99375 11.70012 -12.88279      18.88445 
1 1 1 1   13 26 o 34.02671 11.49430 110.0438       79.31184 98.58540       126.8540 117.3974       101.6236 35.15284 14.02522 35.52367 12.92942 -0.3708267     19.07556 
1 1 1 1   13 27 o 45.46791 11.62741 210.8304       90.63569 173.6319       161.5478 227.9181       109.4918 41.04287 15.99335 46.33847 13.19932 -5.295601      20.73666 
1 1 1 1   14 0  o 321.7858 9.106510 8941.104       500.4040 10530.83       1331.334 8679.565       540.0002 338.3880 23.17900 316.6864 9.985334 21.70160       25.23832 
1 1 1 1   14 1  o 147.5486 3.815858 1862.561       96.14557 1843.273       123.1544 1892.664       153.8533 146.6859 4.916541 148.5098 6.066664 -1.823837      7.808764 
1 1 1 1   14 2  o 184.3339 4.022780 2907.787       126.6291 2777.368       216.3197 2975.775       156.1857 179.7338 7.047975 186.3739 4.907434 -6.640106      8.588181 
1 1 1 1   14 3  o 176.0649 3.614405 2651.719       108.6705 2540.642       155.4209 2757.965       152.0027 172.1552 5.286731 179.4097 4.961389 -7.254486      7.250166 
1 1 1 1   14 4  o 172.0427 3.459754 2531.657       101.6444 2548.898       146.9261 2515.832       140.7654 172.4648 4.988808 171.3643 4.810316 1.100464       6.930176 
1 1 1 1   14 5  f 208.0612 3.807328 3704.233       135.2737 3644.321       193.9288 3761.010       188.7865 206.1271 5.509414 209.4401 5.278483 -3.313049      7.629943 
1 1 1 1   14 6  o 172.5693 3.824301 2548.513       112.6983 2448.992       163.8704 2637.825       155.2387 168.9349 5.680404 175.4005 5.182834 -6.465530      7.689522 
1 1 1 1   14 7  o 132.5954 3.610811 1504.329       81.75892 1419.468       126.5613 1565.107       107.1075 128.5922 5.763474 135.1549 4.640728 -6.562729      7.399594 
1 1 1 1   14 8  o 258.3089 4.336679 5715.073       191.2928 5544.317       273.3194 5879.029       267.8221 253.9761 6.301961 261.6125 5.994954 -7.636475      8.697942 
1 1 1 1   14 9  o 109.9646 3.746455 1035.004       70.35180 969.3802       122.9528 1066.946       85.78186 105.9052 6.835087 111.5880 4.501697 -5.682808      8.184357 
1 1 1 1   14 10 o 129.9845 14.45447 1513.463       315.4116 1667.047       541.9876 1434.812       387.8542 130.8083 25.17721 124.5643 18.82046 6.244080       31.43408 
1 1 1 1   14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   14 13 f 57.15659 6.939487 285.6081       66.34311 324.8218       111.8597 264.3294       82.40000 59.99900 11.33298 54.47703 9.184157 5.521973       14.58715 
1 1 1 1   14 14 o 66.63970 6.414484 385.8850       72.09389 308.5041       118.8776 430.9012       90.67068 58.15394 12.35203 70.20197 7.689140 -12.04803      14.54976 
1 1 1 1   14 15 o 88.95472 5.871100 683.9953       88.68317 601.4458       120.2011 782.6082       131.3766 82.78302 8.629723 94.65282 8.209277 -11.86980      11.91068 
1 1 1 1   14 16 o 189.8592 5.773602 3106.055       187.1891 2905.864       265.9720 3302.537       263.4960 182.6590 8.526937 194.9936 7.913194 -12.33459      11.63303 
1 1 1 1   14 17 o 95.11064 6.384385 786.2501       103.0919 746.5165       157.3476 816.1352       136.4609 91.40305 10.25791 96.30678 8.381099 -4.903725      13.24642 
1 1 1 1   14 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   14 19 o 145.0618 5.616615 1821.804       139.1328 1737.694       205.1336 1893.461       189.3409 140.1377 8.613684 146.8817 7.574535 -6.744019      11.47036 
1 1 1 1   14 20 o 122.0230 5.961828 1294.651       124.2290 1411.196       197.1297 1217.876       159.9979 125.5141 9.262688 117.2419 8.040101 8.272247       12.26542 
1 1 1 1   14 21 o 41.41864 11.00603 162.4135       79.17204 154.6645       125.0669 167.5954       102.2735 41.21019 14.41546 41.96106 12.96429 -0.7508736     19.38758 
1 1 1 1   14 22 o 26.36271 10.91319 27.26763       80.23019 174.4505       147.5567 -34.50806      95.59590 43.13319 15.59798 24.14952 10.90353 18.98367       19.03113 
1 1 1 1   14 23 o 23.45532 10.15354 2.042590       74.84998 168.9205       120.1596 -103.7696      95.68128 41.46161 14.14723 20.67685 9.846094 20.78476       17.23629 
1 1 1 1   14 24 o 30.32237 11.28347 75.67671       78.10750 24.90372       125.0518 108.1554       100.0168 30.42353 13.14703 34.81140 12.80291 -4.387867      18.35099 
1 1 1 1   14 25 f 40.07224 11.89314 161.9141       87.26942 243.2023       157.1234 125.6505       104.9453 46.80798 16.16977 36.30871 13.15065 10.49927       20.84229 
1 1 1 1   14 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15 0  o 73.47133 5.575108 465.9178       69.42615 476.9129       90.85901 450.4911       107.6228 74.06262 7.278012 71.61498 8.999041 2.447639       11.57377 
1 1 1 1   15 1  f 71.44962 6.436120 442.3995       77.68538 451.0236       115.7608 435.3333       104.7848 71.48762 9.735852 70.39845 8.916176 1.089172       13.20170 
1 1 1 1   15 2  o 108.0826 4.023703 1000.176       74.26488 1099.607       131.8513 953.9740       89.87767 112.8266 6.876205 105.4789 4.989813 7.347672       8.495907 
1 1 1 1   15 3  o 109.9139 3.852594 1034.153       72.31156 1019.227       108.0783 1046.250       97.29720 108.7844 5.839300 110.4434 5.158919 -1.659027      7.791782 
1 1 1 1   15 4  o 110.7303 3.338097 1048.938       63.12007 930.9621       94.87697 1142.617       84.54439 104.0223 5.359335 115.4964 4.286615 -11.47409      6.862765 
1 1 1 1   15 5  o 139.2154 3.423692 1658.272       81.39240 1600.598       121.1311 1705.746       109.8993 136.5874 5.193296 141.0798 4.561715 -4.492416      6.912276 
1 1 1 1   15 6  o 197.0417 11.94121 3412.740       399.9019 3334.078       543.7646 3505.402       590.1754 192.1351 16.74031 196.3583 17.79398 -4.223206      24.43080 
1 1 1 1   15 7  o 33.82572 12.55308 79.52697       96.54444 157.7888       104.4494 -379.5884      252.9834 42.30308 13.10669 31.71235 15.33381 10.59073       20.17204 
1 1 1 1   15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15 10 o 171.2108 4.093818 2511.083       119.6910 2641.685       214.4303 2451.977       144.2549 175.0130 7.174868 169.0480 4.997106 5.965073       8.743558 
1 1 1 1   15 11 o 203.3585 4.190639 3543.877       145.5273 3869.378       258.9703 3393.651       175.9331 211.7542 7.161697 198.8103 5.182110 12.94388       8.839919 
1 1 1 1   15 12 o 163.0880 3.814678 2278.191       106.2385 2684.868       199.7840 2117.854       125.4453 176.4846 6.629060 157.1197 4.675433 19.36497       8.111973 
1 1 1 1   15 13 o 69.83767 6.609431 424.5359       77.88594 492.0754       120.4723 376.0345       102.0907 74.47737 9.702828 65.01646 9.473610 9.460907       13.56076 
1 1 1 1   15 14 f 66.22011 8.569856 388.1180       94.63595 347.8069       165.0089 407.8763       115.5236 60.60376 15.78679 67.38671 10.37171 -6.782948      18.88902 
1 1 1 1   15 15 o 106.5867 6.052954 984.9684       109.7179 833.0306       165.5105 1104.079       146.5441 96.63068 10.18351 112.3603 7.683640 -15.72963      12.75704 
1 1 1 1   15 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15 17 o 88.28801 6.709789 682.1881       100.4039 847.6376       154.3703 560.8807       132.1827 97.39050 9.398822 78.79219 10.05314 18.59830       13.76239 
1 1 1 1   15 18 o 105.2925 6.348286 968.8072       113.6109 962.7697       183.7577 972.5430       144.5487 102.8996 10.60975 104.7294 8.146561 -1.829842      13.37659 
1 1 1 1   15 19 o 53.71811 9.380693 264.9820       82.92001 307.3962       130.5695 236.3141       107.3455 56.07006 13.74329 49.50130 12.65125 6.568760       18.67973 
1 1 1 1   15 20 o 88.10815 6.961784 687.1232       103.8930 632.1117       148.4172 739.9793       145.4807 82.49419 10.79454 90.06406 9.607425 -7.569870      14.45077 
1 1 1 1   15 21 o 26.16485 10.66141 33.36070       75.02925 -113.2487      120.4427 126.3332       95.91282 23.67975 11.20942 36.92429 12.63932 -13.24454      16.89389 
1 1 1 1   15 22 o 63.16152 8.292183 365.9433       87.27707 427.6292       136.6475 323.4406       113.4273 65.59784 12.65718 57.26813 11.98335 8.329712       17.43000 
1 1 1 1   15 23 o 64.02779 8.267995 377.5770       88.28857 440.2880       138.2216 334.3578       114.7473 66.22290 12.68453 57.97828 11.98578 8.244617       17.45154 
1 1 1 1   15 24 o 56.57305 9.927457 308.6443       92.40881 394.2689       161.7294 267.1400       112.5994 59.27769 15.72026 50.56240 12.97595 8.715294       20.38387 
1 1 1 1   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 6  o 90.96122 4.161973 708.8965       64.64835 687.8832       107.7282 720.7231       80.81847 89.02720 7.146285 91.48395 5.194674 -2.456749      8.834819 
1 1 1 1   16 7  o 221.2257 3.988773 4192.522       150.6874 4559.707       222.4992 3881.410       204.8068 230.3269 5.656945 212.5091 5.643712 17.81775       7.990777 
1 1 1 1   16 8  o 149.2391 3.677668 1907.150       93.72533 1935.653       142.8787 1885.620       124.1758 150.0709 5.575309 148.2287 4.905718 1.842255       7.426314 
1 1 1 1   16 9  o 76.44520 4.499222 502.9333       58.47503 537.8401       126.1797 493.3862       65.98882 77.99791 9.681572 75.62222 5.140496 2.375687       10.96164 
1 1 1 1   16 10 o 188.2407 4.186387 3038.533       134.5720 3457.857       244.8801 2857.109       161.0743 199.9830 7.170649 182.3287 5.173319 17.65428       8.842027 
1 1 1 1   16 11 o 122.8068 4.011777 1293.371       84.13197 1369.199       152.6671 1260.299       100.8231 125.5636 7.149577 121.1001 4.875436 4.463478       8.653688 
1 1 1 1   16 12 o 160.6864 4.077831 2216.052       111.8949 2010.620       197.3660 2313.359       135.8346 152.0888 7.599292 164.0008 4.850234 -11.91199      9.015210 
1 1 1 1   16 13 o 98.51551 4.185474 833.8898       70.41273 910.4166       152.5602 813.1755       79.37235 101.4719 8.894027 97.19132 4.782333 4.280602       10.09824 
1 1 1 1   16 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 15 o 72.55239 7.501753 465.1465       91.60070 555.3474       143.1823 402.6513       119.1811 77.91471 11.07294 66.20876 10.92210 11.70596       15.55320 
1 1 1 1   16 16 o 102.9147 6.057210 923.9260       105.9822 890.6538       160.3438 949.7392       141.2317 99.49239 9.555096 103.5187 8.052718 -4.026352      12.49584 
1 1 1 1   16 17 o 52.30515 9.529549 251.9743       81.98142 317.8117       129.2688 207.6785       106.0323 57.16748 13.46385 46.41070 12.90901 10.75677       18.65256 
1 1 1 1   16 18 o 138.1385 5.827713 1663.868       137.4722 1615.741       212.9847 1698.237       179.9851 133.6543 9.391391 138.3368 7.648683 -4.682510      12.11200 
1 1 1 1   16 19 o 27.08078 11.18483 31.27474       83.99638 -48.90128      121.4279 104.8407       116.3147 26.58319 12.11499 35.97734 13.68633 -9.394159      18.27809 
1 1 1 1   16 20 o 144.2643 5.595678 1823.771       137.8521 1931.627       203.0673 1731.584       187.7383 146.1771 8.167690 138.5666 7.967551 7.610489       11.41022 
1 1 1 1   16 21 o 23.64080 10.37901 -4.417337      80.59056 80.98296       149.0988 -39.66614      95.78920 35.57069 14.81348 23.53870 10.74018 12.03199       18.29729 
1 1 1 1   16 22 o 62.69405 8.555011 365.6988       89.19924 269.9631       139.7170 431.5669       115.8911 49.69912 15.11644 66.89094 10.49072 -17.19181      18.40005 
1 1 1 1   16 23 o 33.12601 11.84267 103.4372       84.79293 260.8450       150.5159 30.25760       102.6276 47.75652 15.83060 28.14122 12.03118 19.61530       19.88359 
1 1 1 1   17 0  o 70.60812 4.792156 429.7379       57.43924 466.8241       99.33030 411.1065       70.40425 72.99470 8.105590 68.85788 6.048787 4.136818       10.11377 
1 1 1 1   17 1  o 78.22556 4.645514 526.7541       61.77767 481.7668       103.3023 551.8010       77.07997 74.12093 8.304157 79.91267 5.685469 -5.791733      10.06397 
1 1 1 1   17 2  o 92.82280 5.157057 742.1931       81.42236 792.6182       115.8299 692.9371       114.4792 95.55715 7.150146 89.21661 7.586118 6.340538       10.42467 
1 1 1 1   17 3  o 101.5051 4.194476 883.1794       72.70558 914.5444       120.3188 865.1392       91.24969 102.7261 6.898869 100.2001 5.352240 2.525993       8.731601 
1 1 1 1   17 4  o 116.5378 3.828953 1163.502       76.19891 1242.289       122.2223 1113.409       97.45760 120.1324 5.957838 113.8650 5.012142 6.267319       7.785718 
1 1 1 1   17 5  o 40.06687 9.753029 145.6799       66.10259 101.7792       126.7205 162.0915       77.47926 38.15185 14.33749 42.18753 10.72983 -4.035679      17.90790 
1 1 1 1   17 6  o 107.7679 3.857223 995.4253       70.98489 1318.479       116.8938 806.6995       89.34495 123.7798 5.530190 96.68505 5.433415 27.09471       7.752741 
1 1 1 1   17 7  o 87.69875 4.288664 659.9991       64.22696 764.9286       120.4631 618.3243       75.91751 93.61840 7.600753 84.61483 5.280410 9.003571       9.254954 
1 1 1 1   17 8  o 223.3775 4.043534 4281.282       154.2419 4159.187       223.6727 4391.985       212.9818 219.5400 5.966193 225.7705 5.524252 -6.230484      8.130980 
1 1 1 1   17 9  o 205.8051 4.575284 3641.534       160.7963 3574.580       291.5179 3670.813       192.7736 202.2377 8.441144 206.3255 5.471325 -4.087875      10.05924 
1 1 1 1   17 10 o 153.9398 4.186405 2036.391       110.0510 2023.600       199.9842 2041.947       131.8026 152.1072 7.724530 153.9358 5.013978 -1.828644      9.209144 
1 1 1 1   17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17 13 o 13.24857 6.027035 -17.86144      29.88147 -78.42989      119.0645 -13.79008      30.86944 25.41929 11.73575 13.91993 6.248213 11.49936       13.29541 
1 1 1 1   17 14 o 101.3566 6.051037 897.1133       104.2551 874.6403       157.9840 914.4494       138.7580 98.49228 9.511438 101.4671 8.074945 -2.974815      12.47687 
1 1 1 1   17 15 o 168.2724 5.567216 2461.258       159.9753 2415.636       232.9470 2501.979       220.0793 164.7430 8.307093 168.3356 7.655988 -3.592651      11.29699 
1 1 1 1   17 16 o 165.2819 5.691939 2380.831       160.6525 2477.843       229.0623 2286.915       225.3763 166.9420 8.035002 160.0050 8.276784 6.937042       11.53544 
1 1 1 1   17 17 o 115.8049 5.762488 1172.916       113.9564 1425.864       171.7150 973.8372       152.3369 126.0724 8.017685 103.6662 8.685341 22.40614       11.82025 
1 1 1 1   17 18 o 25.78261 10.75747 25.11909       78.83961 -151.6564      142.6675 102.8356       94.59550 24.79004 11.86443 34.25551 12.47334 -9.465467      17.21479 
1 1 1 1   17 19 o 40.46690 12.49609 163.6218       95.03391 103.2835       148.4040 205.5652       123.7318 36.93816 15.01622 44.51114 14.32824 -7.572979      20.75537 
1 1 1 1   17 20 o 103.3719 6.064494 948.6354       106.5843 1019.645       158.0000 889.3371       144.3846 104.9313 8.901552 98.12383 8.707225 6.807495       12.45204 
1 1 1 1   17 21 o 39.41507 11.28889 156.8005       79.86787 106.3153       122.5403 194.0854       105.3085 35.07027 13.84994 42.92625 13.13752 -7.855980      19.08967 
1 1 1 1   18 0  o 19.02159 8.203443 -3.686548      48.49262 69.00626       85.02464 -38.73199      59.03572 31.41625 11.75631 18.33371 8.390568 13.08254       14.44342 
1 1 1 1   18 1  o 113.8983 3.995455 1113.321       77.71152 1118.975       120.4355 1109.288       101.7209 113.6099 6.231575 113.4826 5.249033 0.1273041      8.147691 
1 1 1 1   18 2  o 159.8238 3.811120 2191.373       104.0150 2187.261       156.7083 2194.611       139.0659 159.1891 5.764699 159.6430 5.101159 -0.4538422     7.697635 
1 1 1 1   18 3  o 69.28281 5.488333 416.5261       64.40199 184.0145       136.7205 482.8292       73.00925 45.35400 15.09025 74.56268 5.779102 -29.20867      16.15902 
1 1 1 1   18 4  o 176.6724 4.421369 2683.477       133.3912 2813.703       168.2618 2463.193       218.8413 180.5849 5.456351 168.1326 7.622115 12.45229       9.373815 
1 1 1 1   18 5  o 121.6769 3.821232 1270.957       79.39870 1136.952       123.4560 1365.482       103.6870 114.3760 6.345746 125.9200 4.822004 -11.54391      7.969957 
1 1 1 1   18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   18 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   18 9  o 19.43461 8.055371 9.998554       43.79180 92.01094       102.5323 -8.299785      48.43137 34.75845 12.92912 18.49164 8.083904 16.26681       15.24833 
1 1 1 1   18 10 o 26.76866 8.656024 62.09853       45.11905 -128.3469      150.6619 80.86105       47.28939 27.19896 12.77005 29.89346 8.722960 -2.694500      15.46494 
1 1 1 1   18 11 o 27.94300 8.908131 68.72541       47.91496 175.9486       122.9406 49.52138       52.02919 43.33304 14.30443 25.50968 9.256439 17.82336       17.03814 
1 1 1 1   18 12 o 17.04484 7.322361 -0.9360735     38.34476 157.5479       147.2110 -12.47140      39.71572 42.33472 15.53817 16.18464 7.187436 26.15008       17.11999 
1 1 1 1   18 13 o 25.93014 7.927881 60.10875       38.35979 -143.4017      150.6910 74.21008       39.66652 26.38284 12.50322 28.48691 7.885683 -2.104071      14.78224 
1 1 1 1   18 14 o 81.16867 6.931859 584.9439       95.16029 672.5908       131.2370 487.7699       138.1857 85.94869 9.079006 71.60196 11.70611 14.34673       14.81423 
1 1 1 1   18 15 o 70.20621 7.143960 441.4030       84.45456 501.6199       123.9963 389.2950       115.3459 73.22970 10.19192 63.95155 10.95622 9.278145       14.96376 
1 1 1 1   18 16 o 26.35616 10.45938 43.01427       70.20300 -8.147531      104.7490 84.73386       94.59040 26.51292 11.72819 32.45182 12.34292 -5.938892      17.02640 
1 1 1 1   18 17 o 41.47247 10.59443 168.0967       75.30295 225.0643       111.5371 120.3807       102.0792 46.72812 13.32610 36.00329 12.98059 10.72483       18.60324 
1 1 1 1   18 18 o 22.49229 9.973502 -10.84938      76.19334 -107.1050      128.5861 41.23435       94.58714 24.43762 11.57222 28.47089 11.82288 -4.033270      16.54378 
1 1 1 1   18 19 o 103.6218 6.674952 966.3288       117.4855 1107.048       170.7042 839.6862       161.9412 108.3897 9.313065 93.32698 10.33477 15.06275       13.91189 
1 1 1 1   19 0  o 97.51634 4.244220 818.6010       70.67685 930.9193       111.6912 743.5908       91.27542 103.2841 6.363604 92.43937 5.811809 10.84476       8.618154 
1 1 1 1   19 1  o 11.75558 5.817831 -98.42524      43.36278 -39.97466      73.24435 -129.9676      53.80553 20.72130 9.430199 12.79372 6.357302 7.927583       11.37295 
1 1 1 1   19 2  o 98.44688 4.125201 834.0323       69.35040 797.6278       112.0110 856.6622       88.31281 95.36551 6.925333 99.40864 5.220600 -4.043129      8.672652 
1 1 1 1   19 3  f 70.70291 4.863655 433.5491       58.36496 418.7260       93.66056 442.9595       74.62604 68.52341 8.164929 71.12848 6.206077 -2.605064      10.25580 
1 1 1 1   19 4  o 34.57972 8.332569 109.5891       48.62384 170.2503       101.1996 91.38178       55.44283 42.57249 12.84649 31.76758 9.491241 10.80491       15.97235 
1 1 1 1   19 5  o 145.7594 4.733922 1834.629       117.8310 1803.224       149.4121 1886.291       191.6364 143.9839 6.076733 146.2689 7.699386 -2.284988      9.808528 
1 1 1 1   19 6  o 111.6181 4.170534 1073.553       79.49286 1167.341       129.0606 1016.222       100.9052 115.4381 6.574209 108.1058 5.483870 7.332298       8.561135 
1 1 1 1   19 7  o 131.6941 4.067913 1494.378       91.48286 1403.094       144.1475 1555.941       118.3782 126.4674 6.698495 134.0049 5.173078 -7.537544      8.463485 
1 1 1 1   19 8  o 55.40307 6.104965 270.7951       56.80008 330.2496       95.38014 238.1242       70.70438 59.95331 9.643205 51.18596 8.378973 8.767353       12.77492 
1 1 1 1   19 9  o 22.30838 9.341108 12.48255       59.74607 -136.9193      120.9066 60.75050       68.72290 23.08971 11.01521 28.45756 10.58504 -5.367847      15.27671 
1 1 1 1   19 10 o 73.13481 5.846060 469.6472       72.40093 0.000000       0.000000 469.6472       72.40093 ?        ?        73.13481 5.846060 0.000000       5.846060 
1 1 1 1   19 11 o 36.21500 8.169353 121.5450       49.31899 64.59422       125.5446 131.9377       53.63053 33.61092 13.75413 37.65620 8.537025 -4.045277      16.18817 
1 1 1 1   19 12 o 63.24186 8.655988 366.8420       91.02724 417.2157       136.5641 326.5679       122.1092 65.10570 12.73951 57.39499 12.78620 7.710709       18.04943 
1 1 1 1   19 13 o 27.41280 8.523917 68.54209       44.13228 179.3607       151.7543 58.30399       46.12585 42.73382 15.76218 25.90057 8.765603 16.83325       18.03558 
1 1 1 1   19 14 o 35.19355 7.750702 115.4949       45.32133 179.8723       154.6171 109.4438       47.40350 42.49791 15.86333 34.11042 8.232206 8.387497       17.87217 
1 1 1 1   19 15 o 60.10244 9.272443 339.8691       92.10581 381.7571       138.9947 307.0752       122.9843 60.64993 13.73891 54.51674 13.32326 6.133190       19.13810 
1 1 1 1   19 16 o 44.80569 10.34438 197.0063       77.54568 183.0275       115.0227 208.6539       104.9944 41.86301 13.83695 44.76550 12.97903 -2.902485      18.97146 
1 1 1 1   19 17 o 63.31620 8.645977 376.9893       91.03915 367.4909       124.0221 388.0875       134.0607 59.60843 12.57927 60.67240 13.30554 -1.063976      18.31053 
1 1 1 1   20 0  o 75.10644 4.760663 490.2964       60.74282 397.5816       97.56291 548.9855       77.62275 66.14606 8.859931 79.16927 5.781546 -13.02322      10.57944 
1 1 1 1   20 1  o 35.95100 7.807139 118.6261       46.55677 85.34518       86.75871 132.0858       55.17370 32.54001 11.93074 37.74031 8.733992 -5.200306      14.78598 
1 1 1 1   20 2  o 69.92045 4.777771 425.3202       56.70522 406.8708       95.71465 435.2975       70.38755 67.03510 8.556483 70.39812 5.909763 -3.363014      10.39898 
1 1 1 1   20 3  o 49.44065 6.692419 218.2234       55.05051 197.7103       91.79893 229.7431       68.79288 45.31555 11.76068 50.19181 8.317415 -4.876259      14.40462 
1 1 1 1   20 4  o 36.79219 8.208671 125.0454       50.26389 95.09301       89.96666 138.6373       60.60465 33.66529 12.17868 38.48520 9.320620 -4.819904      15.33604 
1 1 1 1   20 5  o 81.31930 5.198308 577.2545       71.80920 650.8247       141.5148 551.7418       83.33516 83.97241 10.06960 79.12243 6.217835 4.849983       11.83463 
1 1 1 1   20 6  o 89.65501 5.942952 706.5171       90.47099 693.4542       114.5282 728.1970       147.5444 87.97596 7.700919 88.85519 9.891744 -0.8792267     12.53598 
1 1 1 1   20 7  o 17.56699 7.979865 -26.38105      52.13855 -31.05105      114.1590 -25.15018      58.60824 26.55497 11.95924 18.88454 8.530890 7.670429       14.69012 
1 1 1 1   20 8  o 26.71048 9.289636 60.50854       51.90192 29.52388       101.2084 71.56470       60.45687 28.69329 12.09358 28.81069 10.02571 -0.1173992     15.70890 
1 1 1 1   20 9  o 57.26638 6.367992 292.9086       61.21904 591.0143       158.4168 240.5746       66.37553 77.66718 12.35841 51.25491 7.832129 26.41227       14.63122 
1 1 1 1   20 10 o 36.51278 8.326315 125.2705       50.76453 116.0999       126.7980 127.0210       55.39809 36.80044 14.21671 36.58225 8.942993 0.2181854      16.79560 
1 1 1 1   20 11 o 48.69073 8.396889 220.8824       67.29607 306.4341       159.6204 202.3886       74.21419 52.57133 16.18849 45.92623 9.763575 6.645103       18.90488 
1 1 1 1   20 12 o 44.15533 7.807709 180.7800       56.71834 0.000000       0.000000 180.7800       56.71834 ?        ?        44.15533 7.807709 0.000000       7.807709 
1 1 1 1   20 13 o 57.80265 9.673712 319.5068       92.11240 373.5573       138.9194 277.0983       123.0523 59.39153 13.93704 51.04599 13.79050 8.345535       19.60661 
1 1 1 1   20 14 o 36.95558 8.340946 130.2429       51.38887 49.51556       158.8615 139.6775       54.30883 33.55769 14.65634 38.21656 8.537128 -4.658878      16.96146 
1 1 1 1   20 15 o 45.45656 12.27203 215.9946       97.48519 293.4807       164.6158 174.1430       120.9805 49.61253 16.56056 40.41012 14.17562 9.202408       21.79909 
1 1 1 1   21 0  o 26.37271 8.709022 61.73925       45.56989 32.08957       86.74550 73.04048       53.55497 27.18709 11.30867 28.50037 9.442692 -1.313272      14.73263 
1 1 1 1   21 1  o 82.62495 4.709733 596.1725       66.17699 517.4114       104.0167 649.7318       85.77576 75.25331 8.228308 85.73791 5.894353 -10.48460      10.12168 
1 1 1 1   21 2  o 84.42578 4.539940 621.5103       65.21225 632.8225       106.1302 614.6486       82.65684 83.71976 7.503112 83.39407 5.841067 0.3256912      9.508667 
1 1 1 1   21 3  o 45.31296 7.607891 188.7069       56.78288 128.9095       93.73419 223.3728       71.36867 36.69939 12.49527 48.81030 8.889902 -12.11091      15.33500 
1 1 1 1   21 4  o 68.33287 5.275728 411.2073       61.08549 430.5013       101.5195 400.2572       76.47987 68.07282 8.950171 66.74762 6.804975 1.325203       11.24336 
1 1 1 1   21 5  o 29.17102 9.727777 77.29310       56.80393 36.70124       108.7964 92.50538       66.60275 29.60686 12.51190 31.59526 10.53332 -1.988405      16.35538 
1 1 1 1   21 6  f 36.04274 9.413727 124.7542       58.57229 83.39655       157.0266 131.4386       63.12841 36.01553 15.11554 36.87186 9.842092 -0.8563232     18.03736 
1 1 1 1   21 7  o 25.44610 10.59079 27.60674       76.14642 138.9981       117.4928 -53.06474      99.98743 38.04625 13.89397 23.31087 10.75959 14.73537       17.57303 
1 1 1 1   21 8  o 35.54275 8.772093 120.5440       52.91841 188.8855       92.77194 87.58302       64.42799 43.13085 12.10264 30.76691 10.35995 12.36393       15.93118 
1 1 1 1   21 9  o 37.42101 8.736835 133.9035       54.81645 200.3565       129.1322 119.2966       60.54200 43.28307 14.66642 35.02302 9.759020 8.260052       17.61654 
1 1 1 1   21 10 f 30.14774 9.339508 86.53757       53.03747 153.2070       156.8963 77.93622       56.35502 39.57690 15.65833 28.98903 9.689528 10.58788       18.41386 
1 1 1 1   21 11 o 48.96708 7.150357 220.9384       58.02795 333.6748       135.8015 195.7566       64.18240 55.07467 14.30956 45.31993 8.608016 9.754742       16.69914 
1 1 1 1   22 0  o 40.09466 8.016738 151.4114       52.97085 148.4965       88.36978 153.0461       66.17776 38.25404 12.08738 39.51972 9.843083 -1.265675      15.58817 
1 1 1 1   22 1  o 46.94009 6.948962 201.8674       54.01834 255.4754       87.37514 168.7011       68.72619 51.00373 10.38485 41.51209 9.844227 9.491646       14.30923 
1 1 1 1   22 2  o 33.56021 9.096930 108.8350       53.43949 96.70431       94.55141 114.5289       64.77821 32.90446 12.38091 34.18664 10.26949 -1.282185      16.08569 
1 1 1 1   22 3  o 51.29312 7.150459 241.5895       60.92850 261.7968       99.36864 229.4154       77.12842 50.69677 11.71350 48.65160 9.624438 2.045174       15.16034 
1 1 1 1   22 4  o 58.75063 6.196313 311.0534       61.22762 377.2568       107.5681 279.3246       74.46805 61.95750 10.54461 54.57030 8.248574 7.387199       13.38759 
1 1 1 1   22 5  o 32.42952 9.983606 102.5944       60.71307 105.6082       122.4272 101.6115       69.91590 34.75046 13.80547 32.38588 10.79190 2.364582       17.52302 
1 1 1 1   22 6  f 26.78905 9.686277 62.08634       56.90044 -2.009372      134.7136 76.00444       62.77502 29.00192 13.03283 28.90118 10.20488 0.1007442      16.55277 
1 1 1 2   0  0  o 371.8737 7.609632 11834.24       482.7813 11834.24       482.7813 11834.24       482.7813 371.8737 7.609632 371.8737 7.609632 0.000000       0.000000 
1 1 1 2   0  1  o 370.3398 7.414599 11735.58       468.4865 11735.58       468.4865 11735.58       468.4865 370.3398 7.414599 370.3398 7.414599 0.000000       0.000000 
1 1 1 2   0  2  o 72.07995 4.748661 449.5285       57.86837 449.5285       57.86837 449.5285       57.86837 72.07995 4.748661 72.07995 4.748661 0.000000       0.000000 
1 1 1 2   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  4  o 325.6392 6.670310 9072.506       370.5725 9072.506       370.5725 9072.506       370.5725 325.6392 6.670310 325.6392 6.670310 0.000000       0.000000 
1 1 1 2   0  5  f 8.621263 4.859485 8.380227       10.91155 8.380227       10.91155 8.380227       10.91155 8.621263 4.859485 8.621263 4.859485 0.000000       0.000000 
1 1 1 2   0  6  o 5.621344 3.774586 -4.210783      10.23109 -4.210783      10.23109 -4.210783      10.23109 5.621344 3.774586 5.621344 3.774586 0.000000       0.000000 
1 1 1 2   0  7  f 512.3508 8.908385 22492.44       778.8829 22492.44       778.8829 22492.44       778.8829 512.3508 8.908385 512.3508 8.908385 0.000000       0.000000 
1 1 1 2   0  8  o 49.64910 3.861257 214.3693       32.28184 214.3693       32.28184 214.3693       32.28184 49.64910 3.861257 49.64910 3.861257 0.000000       0.000000 
1 1 1 2   0  9  o 30.78772 8.376339 97.02314       38.06914 97.02314       38.06914 97.02314       38.06914 30.78772 8.376339 30.78772 8.376339 0.000000       0.000000 
1 1 1 2   0  10 o 8.835442 5.567281 2.849509       17.75727 2.849509       17.75727 2.849509       17.75727 8.835442 5.567281 8.835442 5.567281 0.000000       0.000000 
1 1 1 2   0  11 o 45.60445 4.823258 183.5238       36.60091 183.5238       36.60091 183.5238       36.60091 45.60445 4.823258 45.60445 4.823258 0.000000       0.000000 
1 1 1 2   0  12 o 286.3521 6.335237 7015.678       309.4461 7015.678       309.4461 7015.678       309.4461 286.3521 6.335237 286.3521 6.335237 0.000000       0.000000 
1 1 1 2   0  13 o 39.47617 5.120273 139.6816       32.91464 139.6816       32.91464 139.6816       32.91464 39.47617 5.120273 39.47617 5.120273 0.000000       0.000000 
1 1 1 2   0  14 o 276.8040 6.031458 6555.673       284.7940 6555.673       284.7940 6555.673       284.7940 276.8040 6.031458 276.8040 6.031458 0.000000       0.000000 
1 1 1 2   0  15 f 120.2385 4.197571 1239.374       85.94916 1239.374       85.94916 1239.374       85.94916 120.2385 4.197571 120.2385 4.197571 0.000000       0.000000 
1 1 1 2   0  16 o 123.5929 4.615660 1310.444       97.10739 1310.444       97.10739 1310.444       97.10739 123.5929 4.615660 123.5929 4.615660 0.000000       0.000000 
1 1 1 2   0  17 o 420.0343 7.499013 15107.55       537.5001 15107.55       537.5001 15107.55       537.5001 420.0343 7.499013 420.0343 7.499013 0.000000       0.000000 
1 1 1 2   0  18 o 148.3447 4.114093 1884.687       104.0380 1884.687       104.0380 1884.687       104.0380 148.3447 4.114093 148.3447 4.114093 0.000000       0.000000 
1 1 1 2   0  19 o 30.42064 12.19666 110.0919       61.55338 110.0919       61.55338 110.0919       61.55338 30.42064 12.19666 30.42064 12.19666 0.000000       0.000000 
1 1 1 2   0  20 o 18.26378 11.75013 1.541593       84.10526 1.541593       84.10526 1.541593       84.10526 18.26378 11.75013 18.26378 11.75013 0.000000       0.000000 
1 1 1 2   0  21 o 11.77597 8.397562 -109.3930      74.93970 -109.3930      74.93970 -109.3930      74.93970 11.77597 8.397562 11.77597 8.397562 0.000000       0.000000 
1 1 1 2   0  22 o 82.86755 22.88554 723.8372       280.0828 723.8372       280.0828 723.8372       280.0828 82.86755 22.88554 82.86755 22.88554 0.000000       0.000000 
1 1 1 2   0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  24 o 69.36067 7.160510 425.6128       82.74194 425.6128       82.74194 425.6128       82.74194 69.36067 7.160510 69.36067 7.160510 0.000000       0.000000 
1 1 1 2   0  25 o 224.0973 5.825975 4311.944       222.6093 4311.944       222.6093 4311.944       222.6093 224.0973 5.825975 224.0973 5.825975 0.000000       0.000000 
1 1 1 2   0  26 o 58.47076 6.936724 305.8459       66.69395 305.8459       66.69395 305.8459       66.69395 58.47076 6.936724 58.47076 6.936724 0.000000       0.000000 
1 1 1 2   0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  28 o 15.47300 9.846560 7.138542       57.11949 7.138542       57.11949 7.138542       57.11949 15.47300 9.846560 15.47300 9.846560 0.000000       0.000000 
1 1 1 2   0  29 o 27.56450 12.30383 96.65931       61.51573 96.65931       61.51573 96.65931       61.51573 27.56450 12.30383 27.56450 12.30383 0.000000       0.000000 
1 1 1 2   0  30 o 93.66585 5.949921 766.8724       94.28832 766.8724       94.28832 766.8724       94.28832 93.66585 5.949921 93.66585 5.949921 0.000000       0.000000 
1 1 1 2   0  31 o 33.71914 13.23436 139.7797       73.02081 139.7797       73.02081 139.7797       73.02081 33.71914 13.23436 33.71914 13.23436 0.000000       0.000000 
1 1 1 2   0  32 o 25.84988 12.63094 89.96259       65.88857 89.96259       65.88857 89.96259       65.88857 25.84988 12.63094 25.84988 12.63094 0.000000       0.000000 
1 1 1 2   1  0  o 227.1782 5.114022 4410.595       198.3952 4294.688       280.5363 4526.562       280.6100 224.0666 7.331788 230.0467 7.143076 -5.980057      10.23614 
1 1 1 2   1  1  o 77.58425 3.237467 514.1335       42.89245 457.7562       60.56979 570.8445       60.74879 73.02697 4.885210 81.62218 4.374321 -8.595207      6.557436 
1 1 1 2   1  2  o 454.6784 6.473893 17676.90       502.6570 17441.08       718.7900 17902.61       703.1953 451.2860 9.327133 457.2643 9.005478 -5.978271      12.96511 
1 1 1 2   1  3  o 260.1181 3.889711 5780.142       172.7785 5631.774       244.3693 5928.451       244.3222 256.6877 5.574933 263.3691 5.432456 -6.681335      7.784052 
1 1 1 2   1  4  o 297.8412 4.129053 7578.922       210.0087 7536.809       297.0040 7621.031       296.9902 296.9206 5.857605 298.5770 5.824837 -1.656464      8.260767 
1 1 1 2   1  5  o 411.0889 5.317641 14446.36       373.2989 14869.47       527.9436 14023.31       527.9052 416.8320 7.416936 404.7701 7.637400 12.06183       10.64616 
1 1 1 2   1  6  o 345.5512 4.796992 10207.75       283.0632 10393.27       400.3336 10022.27       400.2899 348.4706 6.727506 342.1793 6.850448 6.291229       9.601457 
1 1 1 2   1  7  o 168.1722 2.971996 2416.231       85.35015 2488.126       120.7028 2344.335       120.7038 170.6080 4.143012 165.5990 4.268364 5.009048       5.948401 
1 1 1 2   1  8  o 219.3898 3.604412 4113.183       135.0370 4117.357       190.9555 4109.008       190.9868 219.4068 5.096594 219.1838 5.102617 0.2229919      7.211932 
1 1 1 2   1  9  o 189.3236 3.436623 3062.224       111.1063 3259.701       157.2872 2865.545       156.9693 195.2821 4.716601 183.0818 5.020739 12.20030       6.888697 
1 1 1 2   1  10 o 265.7463 4.322713 6033.864       196.1668 6133.147       277.5037 5934.698       277.3399 267.8373 6.067304 263.4630 6.164402 4.374390       8.649395 
1 1 1 2   1  11 o 188.3642 3.446838 3030.550       110.8718 3039.225       158.6352 3022.266       155.0201 188.5990 4.925591 188.0747 4.826759 0.5242615      6.896307 
1 1 1 2   1  12 o 106.6678 3.130830 971.7779       57.02887 1056.674       80.84324 887.6843       80.46014 111.2157 4.256726 101.9303 4.622484 9.285347       6.283874 
1 1 1 2   1  13 f 122.6846 3.004948 1285.522       62.95480 1336.077       89.27557 1235.516       88.78948 125.0565 4.180464 120.2558 4.323679 4.800644       6.014190 
1 1 1 2   1  14 o 180.3003 3.685053 2777.020       113.4598 2785.611       161.2865 2768.604       159.6390 180.5338 5.231637 179.9831 5.194042 0.5506897      7.372116 
1 1 1 2   1  15 o 441.3846 4.886747 16651.45       368.3315 16583.08       521.0060 16719.76       520.7930 440.2493 6.930141 442.0639 6.898872 -1.814636      9.778614 
1 1 1 2   1  16 o 567.4594 6.664867 27561.69       645.8448 28156.63       913.5732 26967.31       913.1520 572.8760 9.338579 560.5882 9.538877 12.28778       13.34913 
1 1 1 2   1  17 o 477.5002 6.327230 19522.41       515.9280 20403.39       730.0531 18643.45       729.2125 487.5291 8.769039 465.9133 9.165307 21.61575       12.68459 
1 1 1 2   1  18 f 213.4598 3.989228 3896.038       145.4143 3916.851       205.7338 3875.261       205.5599 213.8779 5.632975 212.7366 5.658408 1.141266       7.984234 
1 1 1 2   1  19 o 251.8245 5.241311 5430.830       225.3927 5941.352       378.5719 5150.492       280.5321 262.7718 8.436607 245.0061 6.705075 17.76561       10.77657 
1 1 1 2   1  20 f 93.22999 5.350125 747.2560       84.82026 684.6348       112.9262 828.3172       128.4816 88.91819 7.507262 97.82245 7.754859 -8.904259      10.79337 
1 1 1 2   1  21 o 175.1571 4.222569 2626.373       126.3009 2474.771       207.6579 2715.382       159.1150 169.6127 7.169487 177.9764 5.235363 -8.363708      8.877532 
1 1 1 2   1  22 o 79.94849 4.849565 549.8292       65.89574 462.3394       77.59850 776.0583       124.7812 73.08734 6.278355 94.55811 7.797200 -21.47077      10.01070 
1 1 1 2   1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   1  24 o 68.98014 4.875682 410.0881       57.06302 426.1507       75.69668 388.9453       86.84591 70.09599 6.394225 66.68224 7.772555 3.413750       10.06473 
1 1 1 2   1  25 o 174.9014 3.826118 2620.098       114.2756 2524.394       158.8237 2722.825       164.5486 171.4069 5.426064 178.0190 5.412850 -6.612045      7.664276 
1 1 1 2   1  26 o 89.12227 4.093138 681.3828       62.29377 616.9728       81.98820 769.3433       95.81162 84.42823 5.720478 94.26483 5.983053 -9.836601      8.277729 
1 1 1 2   1  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   1  28 f 27.25910 8.487235 65.38098       43.73710 5.504414       60.02656 133.1459       63.85832 21.87254 9.271274 37.97814 9.785667 -16.10560      13.48020 
1 1 1 2   1  29 o 62.09832 4.783245 335.2495       50.33245 313.9969       71.36282 356.2866       71.00022 59.42135 7.178262 63.51812 6.644085 -4.096767      9.781171 
1 1 1 2   1  30 o 48.58276 5.445144 207.9777       44.39737 227.5266       63.22453 188.9604       62.35912 50.14203 7.624006 45.35347 8.359705 4.788559       11.31416 
1 1 1 2   1  31 o 16.49926 7.443700 -19.42243      44.45424 9.530945       59.81738 -55.13983      66.43816 21.83848 9.255875 18.34454 8.570049 3.493938       12.61416 
1 1 1 2   1  32 o 83.09728 5.722014 610.7136       80.70168 625.0170       116.7960 597.6458       111.6375 82.45995 8.412164 80.75423 8.209645 1.705719       11.75427 
1 1 1 2   2  0  o 542.7463 53.58486 27826.74       4901.553 0.000000       0.000000 27826.74       4901.553 ?        ?        542.7463 53.58486 0.000000       53.58486 
1 1 1 2   2  1  o 27.52724 5.144331 66.86494       23.29291 71.68887       32.94679 62.04432       32.93551 28.38760 6.870471 26.48915 7.125463 1.898457       9.898263 
1 1 1 2   2  2  o 273.3802 5.940681 6389.004       277.3354 6504.381       392.2301 6273.649       392.1928 275.6760 8.331821 270.7305 8.483216 4.945526       11.89051 
1 1 1 2   2  3  o 23.20324 6.238461 47.59056       25.25348 53.17673       42.73632 44.59346       31.30334 25.55909 8.433599 22.96160 7.185286 2.597498       11.07944 
1 1 1 2   2  4  o 176.8595 3.811938 2672.252       115.1267 2687.819       162.8574 2656.702       162.7701 177.3236 5.378226 176.2931 5.406765 1.030533       7.626167 
1 1 1 2   2  5  o 162.6671 2.835023 2260.149       78.75137 2334.495       111.4734 2186.075       111.2694 165.2912 3.949295 159.9467 4.073789 5.344421       5.673860 
1 1 1 2   2  6  o 294.1183 4.330741 7394.679       217.5135 7469.448       307.6416 7319.940       307.5794 295.4334 6.097946 292.4551 6.158801 2.978333       8.666935 
1 1 1 2   2  7  o 304.2453 4.145620 7912.997       215.3849 7752.511       301.1759 8080.996       308.1441 300.9640 5.860083 307.2724 5.872571 -6.308380      8.296245 
1 1 1 2   2  8  o 331.6309 4.963504 9404.370       281.0899 9504.450       402.1089 9308.730       393.0869 333.1356 7.068394 329.6999 6.981807 3.435760       9.935182 
1 1 1 2   2  9  o 197.7923 3.644630 3342.307       123.1019 3381.910       172.1411 3300.856       176.1115 198.9059 5.067981 196.4998 5.248361 2.406113       7.295870 
1 1 1 2   2  10 o 423.4610 6.211363 15330.24       449.1612 15294.18       635.2266 15366.30       635.1931 422.6931 8.800384 423.6911 8.779192 -0.9979858     12.43065 
1 1 1 2   2  11 f 352.0945 4.975022 10592.70       299.1273 10204.84       423.0546 10980.47       423.0053 345.4526 7.171435 358.3597 6.912334 -12.90717      9.960414 
1 1 1 2   2  12 o 339.6765 5.028735 9859.168       291.6931 9478.698       412.4078 10240.04       412.6250 332.9182 7.254165 346.0507 6.982548 -13.13251      10.06871 
1 1 1 2   2  13 o 127.1143 3.047771 1380.051       66.15745 1336.616       94.13826 1422.436       92.99377 125.0769 4.407447 129.0333 4.220366 -3.956406      6.102219 
1 1 1 2   2  14 o 351.7280 4.417767 10570.69       265.3454 10482.01       375.2633 10659.36       375.2469 350.1192 6.276509 353.0731 6.223729 -2.953827      8.839083 
1 1 1 2   2  15 o 424.0524 5.441373 15374.19       394.0306 15846.20       563.7248 14923.27       550.9807 430.2285 7.673014 417.5038 7.728123 12.72479       10.89032 
1 1 1 2   2  16 o 230.8783 3.547489 4554.647       139.8641 4625.803       198.7589 4484.852       196.8502 232.5909 5.004168 229.0180 5.033434 3.572968       7.097687 
1 1 1 2   2  17 o 190.6518 4.584073 3108.311       149.2431 3249.375       186.3729 2856.171       249.1695 194.8559 5.601020 182.4684 7.996602 12.38759       9.763045 
1 1 1 2   2  18 o 496.1054 7.303695 21119.35       618.7546 22177.82       1043.038 20544.59       768.6032 506.2181 12.06592 488.5924 9.211992 17.62576       15.18049 
1 1 1 2   2  19 o 231.9489 5.197542 4607.523       205.8696 4494.945       292.7765 4717.625       289.5378 228.7258 7.495820 234.3731 7.234284 -5.647308      10.41740 
1 1 1 2   2  20 o 138.7683 3.623434 1647.011       85.86426 1755.794       120.1332 1533.400       122.7705 143.1749 4.913538 133.7592 5.374876 9.415665       7.282318 
1 1 1 2   2  21 o 85.96448 3.737326 632.2899       54.86331 600.4182       75.78366 667.3893       79.52862 83.51077 5.342109 88.06630 5.313126 -4.555534      7.534417 
1 1 1 2   2  22 o 165.4193 3.511638 2341.151       99.19680 2217.199       140.0503 2465.938       140.5218 160.7991 5.100331 169.6137 4.851554 -8.814621      7.039244 
1 1 1 2   2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   2  24 o 34.49366 8.520194 107.0270       49.89185 92.79867       58.99583 142.7547       93.48585 32.52243 9.807389 40.24584 12.38828 -7.723408      15.80046 
1 1 1 2   2  25 o 182.7139 3.870450 2859.945       120.7633 2812.775       169.3421 2908.758       172.2656 180.8994 5.481836 183.9596 5.483707 -3.060226      7.753810 
1 1 1 2   2  26 o 66.65552 5.114695 384.4538       57.77408 333.1268       79.82222 440.9258       83.72738 61.45780 7.780033 71.02602 6.993895 -9.568218      10.46152 
1 1 1 2   2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   2  28 o 113.8519 3.919621 1114.569       76.20551 1197.032       106.7664 1028.927       108.8043 117.6435 5.314528 108.7640 5.879969 8.879471       7.925796 
1 1 1 2   2  29 o 47.49367 6.560255 200.6137       51.78527 262.1191       75.03643 144.6782       71.55819 53.78145 8.448828 39.28454 10.47510 14.49691       13.45772 
1 1 1 2   2  30 o 15.06668 7.112600 -50.83837      47.88634 -20.65631      63.14763 -91.68204      73.45901 20.06392 8.976137 17.83779 8.530824 2.226131       12.38330 
1 1 1 2   2  31 o 46.47242 8.732141 201.4819       66.75325 113.3508       102.7897 265.7585       87.78316 35.64687 12.99895 52.87252 10.09066 -17.22564      16.45583 
1 1 1 2   2  32 o 74.93320 5.688241 497.1611       72.24390 492.9474       105.1795 500.9245       99.40173 72.99110 8.603683 73.96477 7.997172 -0.9736633     11.74641 
1 1 1 2   3  0  o 324.6645 4.599671 9006.562       255.0137 8917.274       360.6619 9095.830       360.6259 322.9307 6.540168 326.1526 6.474917 -3.221893      9.203171 
1 1 1 2   3  1  o 429.6117 6.050689 15779.07       443.8976 17096.63       768.6328 15119.72       543.7393 446.6810 10.07673 420.3872 7.574245 26.29379       12.60594 
1 1 1 2   3  2  o 307.6941 6.564478 8096.684       344.9222 8065.854       487.8121 8127.509       487.7753 306.8590 9.309188 308.0334 9.272996 -1.174408      13.13961 
1 1 1 2   3  3  o 327.8780 6.384002 9194.379       357.4433 9346.806       516.7017 9054.489       494.9988 330.2926 9.160920 325.1161 8.915870 5.176422       12.78339 
1 1 1 2   3  4  o 96.13383 3.217769 789.4788       52.82422 724.6813       88.42999 825.4291       65.86759 91.88244 5.663526 98.28635 3.924430 -6.403915      6.890332 
1 1 1 2   3  5  o 239.5547 5.291503 4908.047       216.4641 4694.985       364.5806 5024.049       269.0127 233.9113 9.127260 242.2658 6.502475 -8.354568      11.20665 
1 1 1 2   3  6  o 115.7868 2.660158 1145.256       52.59790 1137.599       74.43392 1152.893       74.33551 115.3703 3.778112 116.1442 3.747977 -0.7738419     5.321792 
1 1 1 2   3  7  o 248.6209 4.278768 5284.078       181.6596 5409.577       254.0396 5152.752       259.8706 251.4184 5.917014 245.3498 6.202539 6.068542       8.572196 
1 1 1 2   3  8  o 183.2884 3.685590 2870.390       115.3570 2907.012       163.2965 2833.909       162.9829 184.3918 5.186008 182.0559 5.242464 2.335938       7.374151 
1 1 1 2   3  9  o 248.0576 4.519599 5257.817       191.4496 5409.152       270.8664 5106.740       270.6350 251.5122 6.306582 244.3701 6.485360 7.142136       9.046152 
1 1 1 2   3  10 o 282.2544 4.382371 6806.218       211.2281 6493.268       298.7794 7118.926       298.6640 275.6010 6.348455 288.5890 6.060399 -12.98807      8.776749 
1 1 1 2   3  11 f 202.7884 3.036262 3512.184       105.1439 3248.052       148.2531 3779.496       149.1429 194.9832 4.452507 210.3388 4.152227 -15.35558      6.088170 
1 1 1 2   3  12 o 249.8486 3.315969 5331.846       141.4781 5436.121       201.1071 5229.674       199.0691 252.2366 4.668930 247.3991 4.711985 4.837524       6.633379 
1 1 1 2   3  13 o 222.7702 4.101377 4239.751       156.0231 4643.990       221.3240 3840.400       219.9820 233.0913 5.560328 211.9450 6.078019 21.14632       8.237691 
1 1 1 2   3  14 o 174.5680 3.377865 2603.145       100.6952 2659.120       142.9967 2548.087       141.8196 176.3959 4.747180 172.6718 4.809644 3.724106       6.757840 
1 1 1 2   3  15 o 336.9720 4.395177 9704.546       252.9136 9979.250       358.2272 9431.533       357.1230 341.5525 6.141850 332.0311 6.298500 9.521423       8.797353 
1 1 1 2   3  16 o 273.1811 4.537155 6380.191       211.6587 6312.868       259.3169 6514.560       366.3523 271.6452 5.590194 275.6977 7.781511 -4.052460      9.581346 
1 1 1 2   3  17 o 119.8672 3.740265 1228.164       76.56047 603.3014       258.0857 1288.457       80.16911 81.34098 18.93476 122.7711 3.823921 -41.43015      19.31702 
1 1 1 2   3  18 f 325.2327 4.871297 9052.854       270.5457 9167.520       382.9880 8938.640       382.2321 326.9072 6.860548 322.7842 6.934465 4.122986       9.754687 
1 1 1 2   3  19 f 93.67413 3.521047 750.3087       56.32399 721.8202       82.50132 775.1779       77.08278 91.64355 5.294328 95.15784 4.743630 -3.514290      7.108582 
1 1 1 2   3  20 o 232.2674 3.944444 4616.031       156.4502 4562.765       221.6601 4668.909       220.8500 230.6709 5.627206 233.3536 5.542186 -2.682663      7.898181 
1 1 1 2   3  21 o 77.76187 4.215322 519.2157       55.76658 550.1844       80.06237 490.0314       77.72142 79.84394 5.914037 75.30131 6.096483 4.542633       8.493700 
1 1 1 2   3  22 o 179.1927 12.81454 2830.926       389.5381 2790.547       547.1135 2872.438       554.7459 174.9221 18.60143 177.5096 18.57594 -2.587463      26.28837 
1 1 1 2   3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   3  24 o 216.6454 4.685508 4024.583       173.3437 3833.661       304.2121 4116.377       210.9381 210.4338 8.465623 218.8926 5.643157 -8.458740      10.17408 
1 1 1 2   3  25 o 71.38316 5.782134 441.3040       69.87770 460.7878       84.32519 398.6001       124.8399 72.74641 6.869344 66.45969 11.41106 6.286713       13.31917 
1 1 1 2   3  26 o 116.2376 5.240253 1163.538       104.0162 1328.992       147.4719 999.7375       146.7332 123.6221 7.014616 106.8273 8.103856 16.79475       10.71808 
1 1 1 2   3  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   3  28 o 111.0922 4.002398 1061.849       75.92868 1174.931       109.1327 955.7542       105.7079 116.4681 5.487138 104.7603 5.933303 11.70784       8.081631 
1 1 1 2   3  29 o 77.43553 4.767615 520.5484       62.73751 532.1229       90.99458 510.0610       86.61577 77.59339 6.940637 76.02847 6.741345 1.564926       9.675649 
1 1 1 2   3  30 o 21.72225 9.148918 10.53347       57.85575 19.13512       86.11658 3.457087       78.10905 26.36982 11.13711 24.13690 10.41045 2.232922       15.24509 
1 1 1 2   3  31 o 20.38151 9.114118 -18.67688      65.02591 45.58980       97.26575 -70.61300      87.43832 29.36511 12.07184 20.89219 9.783188 8.472927       15.53834 
1 1 1 2   3  32 o 67.83420 6.149564 410.8619       70.46091 432.9982       103.4774 391.7249       96.21232 67.93581 9.152511 64.70083 8.947470 3.234978       12.79944 
1 1 1 2   4  0  o 193.1483 3.439578 3186.916       113.4483 3078.273       160.5675 3295.214       160.3130 189.7765 4.954653 196.3569 4.781022 -6.580429      6.885256 
1 1 1 2   4  1  o 299.0938 3.945801 7643.392       201.5322 7596.935       285.2536 7689.690       284.7660 298.0789 5.603999 299.8963 5.560517 -1.817444      7.894565 
1 1 1 2   4  2  o 206.4251 3.913222 3640.987       137.9428 3782.393       231.9059 3563.561       171.6011 210.2612 6.458784 204.1745 4.921717 6.086685       8.120296 
1 1 1 2   4  3  o 195.2207 4.163613 3257.168       138.8028 3370.771       201.2675 3154.134       191.6770 198.4976 5.937675 192.0188 5.845536 6.478821       8.332243 
1 1 1 2   4  4  o 238.8397 5.278626 4879.524       215.2927 4848.709       311.6422 4907.658       297.7710 237.8431 7.672975 239.3298 7.285907 -1.486694      10.58107 
1 1 1 2   4  5  o 45.45820 5.535064 179.4254       42.08019 153.0891       74.78845 191.6253       50.90197 41.39374 10.54944 46.85474 6.540080 -5.461002      12.41222 
1 1 1 2   4  6  o 361.6411 6.203694 11194.67       383.1157 11269.51       645.9039 11154.06       475.8643 362.0200 10.44801 360.7368 7.724861 1.283112       12.99363 
1 1 1 2   4  7  o 97.29044 3.704390 808.7622       61.54444 849.1330       103.9699 786.9860       76.35989 99.43752 6.153107 95.95187 4.660258 3.485649       7.718726 
1 1 1 2   4  8  o 367.9174 5.412389 11570.88       340.0488 11479.89       481.0475 11661.76       480.7559 366.2557 7.691333 369.1527 7.626348 -2.896973      10.83133 
1 1 1 2   4  9  o 142.4328 3.339496 1732.781       81.22556 1739.856       115.0297 1725.745       114.7116 142.6984 4.720510 142.1184 4.726668 0.5800018      6.680165 
1 1 1 2   4  10 o 120.2964 2.700040 1235.864       55.46572 1214.503       78.49606 1257.163       78.38480 119.2389 3.855031 121.3160 3.783658 -2.077065      5.401604 
1 1 1 2   4  11 o 292.6595 4.594815 7317.823       229.6321 7653.088       325.2298 6984.533       324.2700 299.1985 6.365448 285.8152 6.643846 13.38327       9.201066 
1 1 1 2   4  12 o 107.6254 3.923766 989.5208       72.11404 1018.341       101.8007 960.4908       102.1696 109.0173 5.485853 105.8539 5.672784 3.163422       7.891455 
1 1 1 2   4  13 o 491.0673 6.258640 20619.98       524.8351 20323.11       742.4393 20916.53       742.0189 487.1521 8.924717 494.2348 8.791839 -7.082672      12.52785 
1 1 1 2   4  14 o 564.6849 7.276807 27289.65       701.6958 27453.94       992.3840 27125.38       992.3114 565.7277 10.27236 562.3166 10.33392 3.411072       14.57091 
1 1 1 2   4  15 o 232.9983 4.377317 4640.258       174.1657 4509.716       217.0885 4876.049       291.7600 229.6239 5.536279 238.6310 7.159737 -9.007095      9.050537 
1 1 1 2   4  16 o 59.79512 5.105315 308.0602       51.63072 304.1053       75.66324 311.5063       70.63007 59.06789 7.683095 59.89028 7.040438 -0.8223877     10.42102 
1 1 1 2   4  17 o 237.7458 4.085192 4833.235       165.8545 4818.944       234.5056 4847.537       234.6018 237.2180 5.789001 237.9225 5.774227 -0.7045135     8.176443 
1 1 1 2   4  18 o 246.3858 4.276644 5193.458       179.9371 5355.753       257.7316 5039.126       251.3283 249.9624 6.037970 242.4561 6.070247 7.506393       8.561832 
1 1 1 2   4  19 o 60.33917 3.859881 312.7028       39.56339 337.2654       57.38393 290.4489       54.62048 62.50207 5.430401 57.94684 5.589128 4.555225       7.792792 
1 1 1 2   4  20 o 272.0162 4.279666 6334.201       198.7955 6692.103       282.1001 5981.133       280.1883 279.2651 5.915407 263.9459 6.216317 15.31921       8.581062 
1 1 1 2   4  21 o 233.8500 3.873337 4680.433       154.6766 4771.693       219.7314 4590.792       217.7733 235.8417 5.455941 231.3164 5.513103 4.525253       7.756391 
1 1 1 2   4  22 o 110.6438 14.07029 1096.537       259.8339 963.7504       377.4374 1216.156       358.2353 100.1801 22.60059 114.5750 18.97348 -14.39490      29.50897 
1 1 1 2   4  23 o 79.26019 4.458689 539.9988       60.10304 439.0209       88.83302 625.2468       81.62126 70.97668 7.439807 85.14565 5.645591 -14.16897      9.339348 
1 1 1 2   4  24 o 51.56259 5.952357 231.5927       51.44845 259.9671       74.57851 205.8277       71.06665 54.20301 8.323356 47.96111 9.007876 6.241894       12.26459 
1 1 1 2   4  25 o 70.51204 5.078038 429.4724       60.73568 420.0124       88.21936 437.9965       83.74189 69.23647 7.585687 70.84705 7.013948 -1.610580      10.33141 
1 1 1 2   4  26 o 59.50288 6.531435 310.1819       65.27497 299.5855       78.35858 334.2073       117.9890 58.06466 8.125195 60.20428 11.89841 -2.139622      14.40802 
1 1 1 2   4  27 o 73.17381 6.083301 467.1729       75.32550 490.5794       107.1169 444.2756       105.9455 74.22604 8.610797 70.45387 9.012494 3.772179       12.46479 
1 1 1 2   4  28 o 59.43974 5.718949 309.3104       57.33255 283.9054       85.99503 329.6377       76.92241 55.78674 9.358356 60.83680 7.567870 -5.050064      12.03543 
1 1 1 2   4  29 o 130.1988 4.130924 1462.475       91.84515 1519.424       135.6179 1414.227       124.8291 131.9478 6.018843 127.4245 5.736687 4.523262       8.314810 
1 1 1 2   4  30 o 41.25431 9.132925 159.9323       62.64050 209.1369       89.61375 112.9197       87.59484 46.37705 11.39671 35.14672 12.07709 11.23033       16.60545 
1 1 1 2   4  31 o 86.70602 5.462830 661.1935       80.47162 693.4598       115.3615 630.6127       112.3080 87.50935 7.801594 83.30556 7.992809 4.203796       11.16915 
1 1 1 2   4  32 f 75.28738 5.686263 503.0186       72.56647 657.9719       102.7104 348.5828       102.5388 85.28296 7.117655 59.98162 10.38697 25.30133       12.59167 
1 1 1 2   5  0  o 144.8277 3.185214 1792.067       78.77567 1738.906       111.6444 1844.776       111.1684 142.6143 4.584289 146.8979 4.431631 -4.283630      6.376132 
1 1 1 2   5  1  o 120.4675 2.761017 1239.738       56.79902 1342.277       80.76107 1139.380       79.89778 125.3231 3.773713 115.4552 4.052466 9.867950       5.537454 
1 1 1 2   5  2  o 100.8554 2.802638 868.9667       48.26899 881.6777       69.94215 857.4072       66.69862 101.5613 4.032821 100.1572 3.899712 1.404015       5.609938 
1 1 1 2   5  3  o 182.4068 3.520200 2843.373       109.6504 2986.343       186.9171 2768.357       135.3946 186.7919 5.859886 179.9399 4.406278 6.851959       7.331681 
1 1 1 2   5  4  o 227.5768 4.223689 4427.407       164.1428 4373.272       279.5854 4455.880       202.7659 225.9179 7.247062 228.2366 5.202446 -2.318756      8.921062 
1 1 1 2   5  5  o 294.8665 5.914988 7439.018       297.8387 7337.099       439.9001 7525.284       404.7118 292.4742 8.807744 296.3192 7.998048 -3.845093      11.89727 
1 1 1 2   5  6  o 226.7631 6.322833 4398.806       244.8420 4405.095       354.2189 4393.052       338.8126 226.6918 9.150270 226.4186 8.762851 0.2731934      12.66945 
1 1 1 2   5  7  o 125.2193 3.173052 1339.296       67.85011 1435.992       118.4051 1292.021       82.79131 129.6164 5.349441 122.9770 3.942384 6.639420       6.645217 
1 1 1 2   5  8  o 426.6209 6.684371 15561.83       486.9727 15361.17       821.3107 15670.62       604.7395 423.3057 11.36191 427.9511 8.275082 -4.645355      14.05596 
1 1 1 2   5  9  o 370.6724 6.006360 11744.00       380.1924 11683.82       641.4966 11776.58       472.0253 369.3537 10.17068 371.0797 7.448969 -1.725983      12.60674 
1 1 1 2   5  10 o 493.4786 5.942568 20815.30       500.7770 21196.42       708.5142 20434.84       707.8975 497.7130 8.336190 488.6713 8.483043 9.041718       11.89345 
1 1 1 2   5  11 o 248.1758 3.930186 5261.536       166.5614 5141.331       236.6702 5379.498       234.4523 245.2578 5.650917 250.8824 5.472459 -5.624603      7.866426 
1 1 1 2   5  12 o 343.3507 4.198896 10072.24       246.1926 10038.53       349.0448 10105.62       347.2996 342.6638 5.965008 343.8107 5.915384 -1.146881      8.400779 
1 1 1 2   5  13 o 324.1168 4.846709 8978.421       268.2566 9106.706       334.0780 8745.573       450.0864 326.3396 5.994820 319.5903 8.247083 6.749237       10.19570 
1 1 1 2   5  14 o 184.1240 4.156653 2897.222       130.6942 2829.244       218.5016 2935.091       163.0838 181.7993 7.038181 185.2789 5.154457 -3.479553      8.723784 
1 1 1 2   5  15 o 225.6471 3.421446 4350.700       131.8382 4281.962       163.7897 4477.188       222.1824 223.8094 4.285548 228.7516 5.687790 -4.942169      7.121579 
1 1 1 2   5  16 o 447.8807 5.606197 17171.09       428.7782 16583.23       606.3903 17758.93       606.3776 439.5485 8.078738 454.9424 7.805213 -15.39392      11.23332 
1 1 1 2   5  17 o 96.27555 3.371031 792.3108       55.42181 852.4107       79.32346 734.9924       77.46610 99.80913 4.654034 92.53864 4.919826 7.270493       6.772349 
1 1 1 2   5  18 o 65.63636 3.306267 369.2399       36.93930 311.5886       52.61792 425.2645       51.87022 60.09526 5.177880 70.36400 4.337988 -10.26874      6.754893 
1 1 1 2   5  19 o 59.25106 3.600069 301.3798       36.25319 321.4435       51.79743 282.1133       50.75786 61.05030 5.012671 57.13511 5.261452 3.915195       7.267032 
1 1 1 2   5  20 o 139.7172 3.141847 1669.251       74.96127 1537.107       106.8638 1797.260       105.1787 133.9517 4.671759 144.8855 4.251098 -10.93379      6.316420 
1 1 1 2   5  21 o 126.4760 3.126643 1368.039       67.52870 1398.728       95.92364 1337.886       95.08193 127.7848 4.395865 124.9693 4.455464 2.815590       6.258977 
1 1 1 2   5  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   5  23 o 186.6235 3.724067 2981.619       118.6823 3072.162       170.0031 2895.539       165.7614 189.1873 5.262147 183.6643 5.285142 5.523026       7.458077 
1 1 1 2   5  24 o 54.08603 5.607534 254.1349       51.03896 391.8209       76.80615 145.2565       68.30024 67.06913 6.800137 40.03733 10.01506 27.03180       12.10551 
1 1 1 2   5  25 o 77.84459 4.833155 522.8188       63.93074 604.1963       92.83595 449.4192       88.16800 83.35794 6.575181 71.65125 7.308157 11.70670       9.830674 
1 1 1 2   5  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   5  27 o 75.89809 5.975733 502.5948       76.82401 631.7103       145.1129 452.3150       90.55516 83.48020 10.40524 71.52367 7.527126 11.95654       12.84238 
1 1 1 2   5  28 o 44.71912 11.65402 189.8559       89.89761 189.8559       89.89761 0.000000       0.000000 44.71912 11.65402 ?        ?        0.000000       11.65402 
1 1 1 2   5  29 o 45.58512 7.560607 188.4563       56.79241 146.5733       75.74046 242.2499       85.83694 39.25877 10.90699 50.75166 10.25709 -11.49289      14.97232 
1 1 1 2   5  30 o 81.13629 5.181822 576.5927       71.42110 583.0641       96.68966 568.8218       105.9543 80.72408 7.085832 79.27248 7.933491 1.451599       10.63717 
1 1 1 2   5  31 o 94.11449 4.578448 771.0876       73.58287 735.7795       100.8817 811.2277       107.5631 90.82172 6.548534 95.32175 6.649649 -4.500038      9.332799 
1 1 1 2   5  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   6  0  o 395.7218 5.485663 13397.76       370.6987 13236.98       524.3478 13558.42       524.1464 392.9308 7.814505 397.6931 7.717962 -4.762299      10.98332 
1 1 1 2   6  1  o 116.1302 3.108583 1152.216       61.64664 1238.717       87.68096 1067.658       86.69051 120.3772 4.265393 111.7480 4.542863 8.629173       6.231467 
1 1 1 2   6  2  o 207.1598 3.760411 3667.367       133.0278 3623.779       188.5931 3710.529       187.6699 205.8338 5.365461 208.2890 5.276263 -2.455170      7.525100 
1 1 1 2   6  3  o 312.4760 4.497493 8346.108       239.9878 8410.046       339.9752 8282.606       338.8157 313.4991 6.350516 311.1119 6.377420 2.387268       9.000031 
1 1 1 2   6  4  o 198.6684 4.239778 3372.813       143.8380 3577.616       249.8243 3271.256       175.9226 204.4535 7.155472 195.6102 5.266576 8.843323       8.884683 
1 1 1 2   6  5  o 119.3701 3.280050 1217.151       66.86178 1205.860       116.1069 1222.752       81.78353 118.7645 5.724923 119.6323 4.003276 -0.8677902     6.985769 
1 1 1 2   6  6  o 209.7500 4.085810 3758.500       146.3464 3791.489       257.0480 3742.678       178.0141 210.5493 7.149218 209.2801 4.981093 1.269165       8.713358 
1 1 1 2   6  7  o 169.8896 4.513797 2465.877       130.9516 2360.269       193.3209 2555.420       178.0119 166.1469 6.813726 172.9052 6.028913 -6.758392      9.098059 
1 1 1 2   6  8  f 332.6456 5.151239 9455.434       292.6143 9796.498       508.2328 9286.314       357.8824 338.3340 8.796607 329.5887 6.358668 8.745270       10.85417 
1 1 1 2   6  9  o 277.3658 4.891278 6573.614       231.6740 6536.295       402.5631 6592.095       283.2880 276.3657 8.529980 277.7042 5.973705 -1.338531      10.41373 
1 1 1 2   6  10 o 304.4013 4.839091 7917.796       251.5430 7501.521       425.2809 8141.790       311.9630 296.0578 8.411964 308.6172 5.919444 -12.55945      10.28596 
1 1 1 2   6  11 o 100.4169 3.038111 861.2549       52.09696 805.0136       98.99528 882.7968       61.26707 96.84912 6.015468 101.6590 3.529226 -4.809853      6.974331 
1 1 1 2   6  12 o 189.3379 4.731930 3063.719       152.9952 3153.969       219.9426 2979.107       212.9620 192.0168 6.707617 186.6193 6.682572 5.397476       9.468310 
1 1 1 2   6  13 o 230.1842 7.326853 4536.259       288.0016 5251.818       753.4868 4413.833       311.6667 245.3517 18.11198 226.9942 8.040327 18.35745       19.81642 
1 1 1 2   6  14 o 274.8787 4.210774 6458.501       197.6537 6558.584       280.9412 6360.412       278.1292 276.8494 5.942509 272.6316 5.974045 4.217834       8.426306 
1 1 1 2   6  15 o 111.4006 3.021868 1060.354       57.48638 1057.064       81.99576 1063.536       80.61779 111.1871 4.318523 111.5300 4.232891 -0.3429794     6.047066 
1 1 1 2   6  16 o 476.4105 6.417132 19454.73       522.0646 19926.27       738.5574 18983.82       738.0646 481.2518 8.986902 469.6464 9.202833 11.60541       12.86299 
1 1 1 2   6  17 f 65.60465 3.449531 368.9890       38.50959 299.0397       54.75684 437.4457       54.16947 58.82489 5.515383 71.35900 4.467846 -12.53411      7.097964 
1 1 1 2   6  18 f 205.1973 3.499150 3600.756       122.6129 3487.741       173.8265 3712.670       172.9783 201.7817 5.044663 208.2102 4.865055 -6.428513      7.008379 
1 1 1 2   6  19 o 117.0692 3.139471 1171.864       62.76261 1131.342       90.79570 1208.946       86.85485 114.9313 4.626208 118.8342 4.280068 -3.902939      6.302443 
1 1 1 2   6  20 o 69.23416 3.766922 411.4182       44.36820 427.8664       61.64873 393.7444       63.90427 70.45165 5.160158 67.50949 5.593623 2.942162       7.610246 
1 1 1 2   6  21 o 209.1933 15.25375 3906.429       541.1564 3070.091       918.3048 4351.391       669.8187 172.9862 32.27375 218.9616 18.07537 -45.97539      36.99073 
1 1 1 2   6  22 o 83.12908 3.576023 591.3956       50.76393 730.0088       74.62534 472.0082       69.25694 92.15568 4.758245 73.94520 5.524586 18.21048       7.291224 
1 1 1 2   6  23 o 145.0407 3.456339 1800.479       85.60676 1789.197       121.9113 1811.453       120.2385 144.4056 4.943766 145.3150 4.845418 -0.9093170     6.922348 
1 1 1 2   6  24 o 50.45445 5.016038 220.8313       42.64485 272.5575       65.14758 182.0502       56.40962 55.74051 6.998533 45.27067 7.563695 10.46984       10.30480 
1 1 1 2   6  25 o 88.39506 4.183447 670.9979       63.14867 680.4747       90.50818 662.0084       88.14991 88.54889 6.021301 87.35161 5.944839 1.197281       8.461512 
1 1 1 2   6  26 o 10.93169 5.521518 -163.3309      49.38481 -240.0169      65.76480 -64.17324      74.78232 12.10140 6.140948 19.64630 9.149325 -7.544903      11.01914 
1 1 1 2   6  27 o 87.98870 4.671973 669.9211       69.94716 637.0995       95.61621 707.7066       102.5922 85.23014 6.621541 89.81265 6.738330 -4.582512      9.447216 
1 1 1 2   6  28 o 74.83204 5.253375 488.0818       66.70631 479.8738       96.15066 495.6986       92.62219 73.31092 7.800172 74.69910 7.356487 -1.388176      10.72197 
1 1 1 2   6  29 o 33.00148 12.56724 84.33917       98.13447 -7.324146      158.7560 141.0237       124.8430 32.32275 14.36137 39.43053 14.33377 -7.107780      20.29053 
1 1 1 2   6  30 o 45.88721 7.644492 193.0835       57.79463 241.5825       78.85885 136.8050       84.94834 50.61072 9.472610 37.56740 11.84901 13.04332       15.17001 
1 1 1 2   6  31 o 34.32655 10.21378 113.9148       64.30322 105.2085       91.93354 122.2541       89.97507 33.93954 12.30600 35.64491 12.24055 -1.705368      17.35709 
1 1 1 2   7  0  o 743.5505 9.269046 47377.17       1176.921 46673.38       1682.644 48051.27       1646.771 736.5634 13.37766 747.5539 12.89998 -10.99048      18.58417 
1 1 1 2   7  1  o 266.7302 4.261001 6079.032       194.0822 5855.683       277.9240 6291.625       271.1488 261.6761 6.219565 271.2660 5.853430 -9.589874      8.540822 
1 1 1 2   7  2  o 424.8517 6.179088 15433.62       448.2947 15155.47       634.1284 15711.53       633.8406 420.6929 8.826938 428.3638 8.664938 -7.670868      12.36915 
1 1 1 2   7  3  o 185.2867 3.226113 2932.349       102.0765 3066.461       145.0101 2800.622       143.7145 189.4448 4.482430 181.0423 4.648563 8.402542       6.457656 
1 1 1 2   7  4  o 207.8589 4.396063 3691.267       156.0394 3678.227       262.7310 3698.373       193.9513 207.3739 7.419169 208.0242 5.459800 -0.6503296     9.211596 
1 1 1 2   7  5  o 147.9777 3.168025 1870.235       80.05472 1838.157       140.4789 1885.663       97.42162 146.6558 5.609314 148.5763 3.839758 -1.920486      6.797658 
1 1 1 2   7  6  o 288.9374 5.307885 7134.232       261.8950 7694.437       454.5161 6855.791       320.4375 299.8392 8.876852 283.1758 6.626516 16.66336       11.07742 
1 1 1 2   7  7  o 398.8767 6.034944 13600.03       411.0681 14277.33       723.5060 13277.17       499.5255 408.2375 10.37833 393.9995 7.424379 14.23804       12.76053 
1 1 1 2   7  8  o 381.9398 4.648815 12464.28       303.2069 11397.62       607.0399 12818.86       349.9930 364.7964 9.744618 387.2940 5.291961 -22.49768      11.08884 
1 1 1 2   7  9  o 279.6130 4.697980 6680.641       224.3213 6789.603       385.1224 6624.692       275.9674 281.6794 8.006483 278.3837 5.805132 3.295685       9.889557 
1 1 1 2   7  10 o 27.70598 6.112374 68.21784       28.14326 68.37370       66.82679 68.18423       31.02906 30.07665 10.53645 27.68348 6.647461 2.393166       12.45815 
1 1 1 2   7  11 o 496.6893 8.782385 21133.54       744.9022 20328.01       1077.718 21870.40       1030.752 486.1851 12.98080 504.5648 11.96287 -18.37964      17.65252 
1 1 1 2   7  12 o 211.2192 3.897951 3812.233       140.5956 3633.141       246.3323 3898.762       171.2242 206.0184 7.001860 213.5651 4.694972 -7.546738      8.430231 
1 1 1 2   7  13 o 376.2459 5.281962 12108.01       339.3665 11849.61       573.4233 12247.31       421.0157 371.5862 9.036784 378.2318 6.518361 -6.645569      11.14237 
1 1 1 2   7  14 o 174.8799 3.623552 2613.882       108.2122 2640.205       184.7480 2600.135       133.5117 175.5923 6.161300 174.3731 4.483715 1.219193       7.620059 
1 1 1 2   7  15 o 150.9395 3.526112 1947.511       90.88680 2051.696       155.4275 1893.376       112.0384 154.7648 5.881035 148.7783 4.409866 5.986526       7.350749 
1 1 1 2   7  16 o 132.1474 3.303250 1492.823       74.54217 1434.392       107.2057 1547.514       103.7179 129.4461 4.849834 134.4765 4.516537 -5.030396      6.627217 
1 1 1 2   7  17 f 175.1340 3.351489 2622.514       100.2329 2824.781       144.0618 2432.726       139.5474 181.6461 4.644306 168.5498 4.848323 13.09630       6.713852 
1 1 1 2   7  18 o 165.5067 3.479306 2342.865       98.33544 2420.649       140.4572 2268.084       137.7179 168.0910 4.893252 162.7005 4.956778 5.390503       6.965168 
1 1 1 2   7  19 o 175.0067 3.285664 2619.497       98.19280 2641.331       139.4146 2598.004       138.3230 175.5854 4.649626 174.1391 4.651535 1.446320       6.576914 
1 1 1 2   7  20 f 61.59515 17.91460 349.9913       199.7500 397.5529       221.4989 142.8556       462.2433 65.38953 18.82056 61.66438 25.90999 3.725155       32.02407 
1 1 1 2   7  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   7  22 o 322.4031 4.870995 8916.140       268.1753 9065.271       380.5725 8769.052       377.9553 324.3490 6.871047 318.9769 6.938718 5.372101       9.765096 
1 1 1 2   7  23 o 125.7586 3.402422 1353.896       73.06812 1417.549       105.5843 1295.395       101.2216 128.5130 4.811168 122.8493 4.825013 5.663712       6.813816 
1 1 1 2   7  24 o 86.58047 3.693609 642.6046       54.61008 693.8260       75.59990 586.7134       78.97099 89.68849 4.955305 82.32181 5.651834 7.366684       7.516533 
1 1 1 2   7  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   7  26 o 24.24225 8.965334 41.85395       49.16007 34.94438       72.40833 47.76228       66.95692 26.44174 10.58027 27.08727 10.36504 -0.6455231     14.81135 
1 1 1 2   7  27 o 50.28281 6.788967 224.9087       56.80383 210.9096       80.90444 238.5189       79.77301 47.55204 10.26408 50.90185 9.527608 -3.349808      14.00452 
1 1 1 2   7  28 o 63.62204 5.807990 355.9731       62.40517 484.5313       87.28173 221.5213       89.25999 73.85327 7.004505 48.18377 11.07951 25.66951       13.10796 
1 1 1 2   7  29 o 21.59396 9.091295 11.25493       57.09278 -42.43143      83.44818 58.49971       78.28198 21.81935 9.982085 28.79205 11.15719 -6.972698      14.97080 
1 1 1 2   7  30 o 103.2675 4.499219 927.3965       79.34191 920.1504       117.8288 933.4077       107.3190 101.4618 6.840522 102.6300 6.151883 -1.168167      9.199913 
1 1 1 2   7  31 o 62.33807 13.95911 411.4749       144.9010 0.000000       0.000000 411.4749       144.9010 ?        ?        62.33807 13.95911 0.000000       13.95911 
1 1 1 2   8  0  o 104.3201 3.472051 929.5392       61.85231 839.1702       87.98756 1017.822       86.96614 98.95866 5.225259 109.1455 4.665977 -10.18680      7.005332 
1 1 1 2   8  1  o 157.1082 2.963624 2108.072       79.51040 2183.066       112.9763 2034.474       111.9204 159.8580 4.138578 154.3196 4.247040 5.538406       5.930023 
1 1 1 2   8  2  o 142.6536 2.797282 1737.960       68.14292 1771.935       97.16028 1705.070       95.59604 144.0243 3.950492 141.2805 3.962377 2.743774       5.595249 
1 1 1 2   8  3  o 558.2218 7.070697 26646.79       674.0172 26202.14       953.4454 27091.00       952.9633 553.1093 10.09446 562.4420 9.921938 -9.332764      14.15425 
1 1 1 2   8  4  o 165.5541 3.607900 2341.135       101.9991 2271.445       145.6784 2408.153       142.8599 163.0353 5.232529 167.8764 4.983322 -4.841080      7.225846 
1 1 1 2   8  5  o 339.5339 5.327007 9852.122       308.8648 9597.596       521.4070 9989.719       383.3650 334.8282 9.119119 341.8166 6.567763 -6.988373      11.23805 
1 1 1 2   8  6  o 263.2342 3.769129 5919.159       169.4280 5928.834       294.7163 5914.382       207.0654 263.3245 6.554068 263.0975 4.608812 0.2270508      8.012300 
1 1 1 2   8  7  o 200.2905 3.485839 3426.691       119.2256 3484.232       208.1590 3398.598       145.4465 201.8804 6.038085 199.4468 4.270456 2.433563       7.395625 
1 1 1 2   8  8  o 175.9795 3.378815 2645.328       101.5380 2733.331       186.3732 2608.182       121.0862 178.7973 6.104085 174.7232 4.058280 4.074066       7.330040 
1 1 1 2   8  9  o 443.2233 6.464079 16801.65       489.2503 17165.55       849.2697 16620.90       598.5512 447.2571 11.11953 440.6411 7.954527 6.615997       13.67181 
1 1 1 2   8  10 o 312.4674 7.952365 8361.017       424.3292 5581.356       1532.002 8591.980       441.6063 245.3737 37.77364 316.7285 8.164811 -71.35480      38.64599 
1 1 1 2   8  11 o 168.0526 3.567149 2413.071       102.3690 2502.246       186.0212 2374.335       122.6033 170.9972 6.370468 166.6713 4.307639 4.325928       7.690163 
1 1 1 2   8  12 o 316.7813 5.491228 8585.266       297.0510 8055.611       508.8658 8859.050       365.8568 306.2045 9.731724 321.6424 6.660945 -15.43790      11.79299 
1 1 1 2   8  13 o 223.4931 4.427893 4271.437       168.9909 4271.664       291.0028 4271.321       207.5790 223.1578 7.636303 223.4018 5.441201 -0.2439575     9.376555 
1 1 1 2   8  14 o 152.2434 3.647324 1981.522       94.82321 2075.699       168.8243 1938.119       114.6090 155.6192 6.352871 150.5197 4.458855 5.099442       7.761467 
1 1 1 2   8  15 o 168.0160 3.695647 2413.949       106.0335 2456.074       187.7259 2394.214       128.4933 169.2093 6.496781 167.2670 4.498505 1.942230       7.902196 
1 1 1 2   8  16 o 70.08051 4.033872 421.5730       48.07106 550.8196       86.91750 364.6172       57.69880 79.86022 6.427886 65.02866 5.240367 14.83157       8.293320 
1 1 1 2   8  17 o 171.0678 3.786446 2503.729       110.6119 2677.131       188.9356 2413.303       136.4383 176.5825 6.265624 167.8517 4.760017 8.730743       7.868660 
1 1 1 2   8  18 f 176.0372 3.692449 2651.570       110.9995 2835.711       189.7079 2555.713       136.8749 181.7119 6.113643 172.7198 4.640659 8.992081       7.675438 
1 1 1 2   8  19 o 238.0277 4.543156 4854.598       184.6660 4852.455       312.9024 4855.743       228.7515 237.1895 7.725233 237.8319 5.632380 -0.6423492     9.560488 
1 1 1 2   8  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   8  21 o 53.16331 4.545860 244.0239       40.87275 270.1684       70.58440 230.8348       50.13319 55.43575 7.660919 51.51102 5.800251 3.924728       9.608985 
1 1 1 2   8  22 o 21.08326 7.434878 33.65233       33.31079 10.15576       61.26195 43.51532       39.69108 22.74133 9.485144 23.53435 8.127160 -0.7930202     12.49074 
1 1 1 2   8  23 o 24.01498 9.157826 35.66865       52.15605 41.98049       75.36206 29.86644       72.25555 27.76505 10.89427 26.19574 10.53819 1.569309       15.15714 
1 1 1 2   8  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   8  25 o 170.4209 3.930166 2495.786       114.3762 2367.298       164.2358 2616.786       159.3782 165.3472 5.816599 174.0235 5.363142 -8.676300      7.911771 
1 1 1 2   8  26 o 48.08427 6.778899 205.6518       54.11808 267.5032       76.61890 144.0722       76.45042 54.40327 8.527504 39.28245 10.97380 15.12083       13.89758 
1 1 1 2   8  27 o 123.2409 4.155059 1310.263       87.44478 1417.790       128.1472 1216.565       119.6235 127.5423 5.883734 117.9755 5.957029 9.566811       8.372845 
1 1 1 2   8  28 o 34.03004 9.748161 108.8733       59.55017 100.8429       99.47590 113.3585       74.34304 34.56514 12.75912 34.83185 11.09526 -0.2667122     16.90857 
1 1 1 2   8  29 f 136.7895 4.654408 1627.851       108.7224 1855.475       200.1679 1532.596       129.4882 143.0514 8.228767 132.0895 5.740634 10.96190       10.03332 
1 1 1 2   8  30 o 38.18906 10.06245 142.1606       66.54124 303.1663       112.4797 55.47564       82.53251 54.68834 12.33772 28.52271 11.33391 26.16563       16.75341 
1 1 1 2   9  0  o 347.8640 5.408963 10342.00       321.3109 10087.36       454.5897 10596.22       454.2149 343.3825 7.752458 351.9540 7.557420 -8.571442      10.82660 
1 1 1 2   9  1  o 133.3297 3.240088 1518.361       73.77097 1404.425       104.9865 1629.483       103.6816 128.2034 4.795475 138.1024 4.396412 -9.898972      6.505769 
1 1 1 2   9  2  o 266.7797 3.963685 6080.006       180.5734 6390.612       259.0997 5786.666       251.7956 273.4407 5.548834 260.1936 5.666953 13.24710       7.931199 
1 1 1 2   9  3  o 332.9254 5.150105 9472.297       292.7959 9099.798       414.6398 9842.776       413.5143 326.1543 7.444677 339.2336 7.138218 -13.07925      10.31394 
1 1 1 2   9  4  o 320.4213 4.950842 8773.754       270.8959 7937.753       388.2688 9566.712       378.1412 304.6083 7.464296 334.4753 6.620459 -29.86700      9.977283 
1 1 1 2   9  5  o 429.8761 5.832944 15797.76       428.1866 15050.61       606.9902 16537.84       604.1146 419.2996 8.477256 439.5848 8.047754 -20.28522      11.68889 
1 1 1 2   9  6  o 621.8882 8.272700 33108.25       878.5400 33280.86       1522.638 33022.11       1075.648 621.8764 14.33807 620.6681 10.14866 1.208313       17.56632 
1 1 1 2   9  7  o 638.4900 8.418100 34910.29       917.8466 33587.80       1591.126 35569.84       1123.645 624.3238 14.92426 644.0474 10.21667 -19.72357      18.08629 
1 1 1 2   9  8  f 203.2052 5.008592 3529.774       173.8010 3814.713       191.3501 2186.609       415.4489 211.2328 5.304755 158.4055 15.55918 52.82735       16.43863 
1 1 1 2   9  9  o 94.00106 3.759673 755.0356       60.35104 528.0142       263.2805 767.6261       62.00197 76.42735 19.95685 94.78020 3.830769 -18.35285      20.32119 
1 1 1 2   9  10 o 134.4775 2.672354 1544.771       61.36849 1837.851       132.7749 1465.152       69.20405 146.5849 5.304264 130.9562 3.094594 15.62868       6.140987 
1 1 1 2   9  11 o 165.8416 3.297817 2350.181       93.39463 2523.411       166.9747 2271.311       112.6672 171.7108 5.694440 163.0025 4.047635 8.708313       6.986415 
1 1 1 2   9  12 o 60.66005 3.861418 315.8531       39.79112 367.9636       80.46809 298.9863       45.78007 65.08456 7.369986 58.94463 4.584160 6.139931       8.679357 
1 1 1 2   9  13 o 138.3927 4.971824 1639.383       117.4981 1621.479       169.9032 1655.795       162.6677 137.2507 7.275092 138.9279 6.856616 -1.677277      9.997007 
1 1 1 2   9  14 o 78.45308 4.865669 528.9574       64.86447 472.9430       93.37402 581.1982       90.17407 73.81274 7.512577 82.05429 6.488371 -8.241554      9.926619 
1 1 1 2   9  15 o 167.6651 5.141904 2408.359       147.2206 2452.728       208.6385 2364.360       207.7669 168.9246 7.232688 165.8377 7.336537 3.086868       10.30226 
1 1 1 2   9  16 o 159.7950 3.781869 2184.677       103.1981 2318.938       180.4342 2119.407       125.8063 164.3145 6.430442 157.3041 4.683393 7.010452       7.955171 
1 1 1 2   9  17 o 201.6009 4.201424 3479.844       144.6408 3624.596       253.4599 3409.939       176.1372 205.1946 7.233381 199.4236 5.172170 5.771011       8.892308 
1 1 1 2   9  18 o 196.7581 4.071824 3314.881       136.8118 3421.325       243.6201 3265.848       165.3467 199.3035 7.158078 195.1637 4.961291 4.139801       8.709333 
1 1 1 2   9  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   9  20 o 40.86316 5.977901 146.5070       40.48038 256.0120       101.4560 125.7735       44.14661 53.11891 11.51672 37.59284 7.137910 15.52607       13.54934 
1 1 1 2   9  21 o 33.02892 7.622652 97.98385       42.12044 419.9954       99.70789 28.03730       46.47046 69.08819 8.640240 22.26065 8.604669 46.82753       12.19402 
1 1 1 2   9  22 o 64.30792 6.706346 360.9432       72.56309 362.2292       137.0035 360.4418       85.54749 62.65925 13.21966 63.97080 8.006476 -1.311554      15.45520 
1 1 1 2   9  23 o 86.70050 5.436613 650.6580       80.08463 806.3406       150.2176 588.8397       94.65854 95.37554 9.343189 82.13871 6.809964 13.23683       11.56161 
1 1 1 2   9  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   9  25 o 66.08088 5.460987 380.6889       61.07166 435.4679       111.5555 357.2448       72.97933 69.27844 9.695134 63.63084 6.822738 5.647602       11.85518 
1 1 1 2   9  26 o 150.7474 3.871892 1956.935       99.67245 1999.227       150.6787 1924.032       132.9047 151.5582 5.821979 148.9563 5.224921 2.601883       7.822738 
1 1 1 2   9  27 o 90.36607 4.351977 706.5209       67.15740 844.4437       107.9702 619.4900       85.76744 97.81023 6.501265 83.91526 6.025324 13.89497       8.864027 
1 1 1 2   9  28 o 73.32385 5.183310 471.6139       64.48327 487.8260       102.9426 461.1449       82.72369 73.05021 8.405477 71.80770 6.828364 1.242508       10.82952 
1 1 1 2   9  29 o 43.61972 8.794715 179.5181       63.24811 212.5099       107.2209 161.9117       78.32714 45.48301 13.09541 40.52705 11.02505 4.955963       17.11846 
1 1 1 2   9  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   10 0  o 387.0414 5.691694 12806.31       376.1844 12588.61       532.3265 13023.49       531.6844 383.4911 8.128695 390.0764 7.981829 -6.585266      11.39233 
1 1 1 2   10 1  o 135.3538 3.425822 1564.984       79.18395 1452.438       112.9795 1673.645       111.0125 130.3607 5.075171 139.9474 4.645209 -9.586639      6.880068 
1 1 1 2   10 2  o 160.5089 3.345018 2200.705       91.68524 2154.447       132.5062 2243.194       126.9944 158.7733 4.887162 162.0194 4.590032 -3.246140      6.704681 
1 1 1 2   10 3  o 153.3221 3.329817 2008.067       87.18206 1986.227       124.5457 2029.051       122.0794 152.4494 4.784110 154.0883 4.639496 -1.638947      6.664280 
1 1 1 2   10 4  f 259.3481 4.084411 5747.099       180.8900 5941.783       264.0156 5574.850       248.3377 263.6042 5.865097 255.3459 5.695238 8.258347       8.175274 
1 1 1 2   10 5  f 297.6241 4.248928 7569.558       215.9480 7285.982       307.4657 7845.626       303.3688 291.8611 6.169054 302.8884 5.865249 -11.02731      8.512248 
1 1 1 2   10 6  o 184.3714 3.469713 2904.199       109.2418 3107.366       188.1139 2800.820       134.1869 190.6073 5.779356 181.0287 4.340711 9.578568       7.227914 
1 1 1 2   10 7  o 194.1400 6.618794 3226.177       219.4299 3509.313       759.6221 3200.400       229.2010 198.6185 22.81017 193.3387 6.942177 5.279739       23.84319 
1 1 1 2   10 8  o 128.9015 4.228270 1420.318       93.07273 1512.563       165.2538 1377.464       112.6361 132.6694 7.322567 126.9048 5.197540 5.764633       8.979667 
1 1 1 2   10 9  o 370.1402 5.640659 11724.85       356.5316 11944.41       628.4641 11620.65       432.9430 372.7035 9.874498 368.2840 6.884080 4.419525       12.03729 
1 1 1 2   10 10 o 91.24096 3.893421 711.7138       60.66290 813.2410       109.7821 667.0873       72.78415 97.18773 6.654887 88.17007 4.852761 9.017662       8.236311 
1 1 1 2   10 11 o 279.0545 4.999900 6665.003       238.2606 6765.798       408.8284 6613.161       293.1992 280.5089 8.534781 277.7899 6.180796 2.718994       10.53778 
1 1 1 2   10 12 o 307.2324 6.208035 8093.530       325.7039 8160.013       461.0132 8027.277       460.2177 307.8472 8.769527 305.3163 8.826964 2.530853       12.44267 
1 1 1 2   10 13 o 96.06347 4.719304 790.0565       77.41731 793.6277       111.2935 786.7083       107.7611 95.89927 6.840857 95.50579 6.648866 0.3934784      9.539640 
1 1 1 2   10 14 o 75.15611 5.521744 486.8509       70.37056 486.1653       106.2106 487.3873       93.95125 74.62856 8.484980 74.91158 7.442858 -0.2830276     11.28676 
1 1 1 2   10 15 o 180.5104 4.950790 2792.237       152.6085 2745.307       216.2018 2838.837       215.4422 178.6479 7.086951 181.6925 6.943713 -3.044571      9.921695 
1 1 1 2   10 16 o 110.9903 4.655729 1055.513       88.24185 1171.945       126.3775 944.7432       123.2663 116.6036 6.370934 104.5568 6.943308 12.04675       9.423286 
1 1 1 2   10 17 o 52.63857 20.31803 184.8683       258.8152 119.3212       329.9155 289.7610       417.3483 53.66555 22.16588 65.07291 25.60389 -11.40736      33.86570 
1 1 1 2   10 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   10 19 o 188.4674 5.287956 3049.024       170.1869 3167.781       243.2132 2935.087       238.2255 191.6060 7.433202 184.3999 7.565292 7.206146       10.60595 
1 1 1 2   10 20 o 47.51232 8.834245 201.9075       69.03843 252.9183       90.47470 130.8029       106.8182 52.96690 10.37394 39.53487 13.33947 13.43203       16.89852 
1 1 1 2   10 21 f 135.5428 4.112226 1575.479       95.18211 1663.686       175.3898 1538.656       113.3210 138.4109 7.447879 133.8177 4.959010 4.593262       8.947775 
1 1 1 2   10 22 o 154.3714 4.160699 2046.386       109.6819 1935.387       198.2080 2095.378       131.6810 148.8614 7.824625 156.0257 4.942252 -7.164352      9.254762 
1 1 1 2   10 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   10 24 o 69.95962 5.270521 425.6833       62.50303 506.6040       132.4691 402.5093       70.89011 74.38907 10.73904 67.78046 6.193043 6.608612       12.39681 
1 1 1 2   10 25 f 111.2335 4.359341 1067.641       82.80531 1359.500       160.5050 961.7869       96.66225 123.9804 7.618014 105.1490 5.401550 18.83131       9.338676 
1 1 1 2   10 26 o 72.72520 5.387728 462.7826       66.43426 526.1234       135.3338 442.6732       76.25425 74.97121 10.88931 70.77690 6.377650 4.194313       12.61949 
1 1 1 2   10 27 o 62.68142 6.227788 349.1479       65.77886 454.8022       131.1566 313.6416       76.03255 68.65516 11.60036 58.74369 7.770125 9.911465       13.96220 
1 1 1 2   10 28 f 21.23056 8.989735 9.661423       56.34191 125.3342       118.2133 -24.33802      64.08945 37.15544 13.87040 19.78276 8.930214 17.37268       16.49656 
1 1 1 2   10 29 o 45.04896 8.944907 193.3591       66.38480 403.9900       129.0257 117.5270       77.41800 63.04831 12.42581 34.71010 11.34612 28.33821       16.82662 
1 1 1 2   11 0  o 22.15731 7.066819 41.07495       30.15150 -22.33483      50.24622 76.75687       37.69202 17.91193 8.010592 29.38022 7.490036 -11.46829      10.96678 
1 1 1 2   11 1  o 217.6173 4.003166 4046.954       148.7644 3945.437       211.9140 4145.592       208.8879 214.7716 5.778044 220.1667 5.555967 -5.395065      8.015894 
1 1 1 2   11 2  o 112.7019 3.281351 1085.155       63.15180 1071.109       91.28648 1098.047       87.45683 111.9330 4.775802 113.3393 4.518677 -1.406258      6.574703 
1 1 1 2   11 3  o 208.2912 3.371979 3706.801       119.9383 3974.182       171.6898 3451.945       167.6201 215.6081 4.663129 200.9308 4.885146 14.67729       6.753475 
1 1 1 2   11 4  o 201.6656 3.908741 3475.704       134.6079 3411.153       194.0987 3535.515       186.8375 199.6793 5.692297 203.3081 5.381552 -3.628769      7.833476 
1 1 1 2   11 5  o 99.76940 5.245843 853.7869       89.06087 906.6594       94.56166 438.5911       264.9883 102.8065 5.405303 70.07648 20.70625 32.73003       21.40014 
1 1 1 2   11 6  o 244.6896 4.517978 5119.631       188.7824 4704.660       323.0936 5334.743       232.6224 234.1874 8.079097 249.6937 5.455593 -15.50627      9.748605 
1 1 1 2   11 7  o 111.3104 3.486598 1058.922       66.27347 1200.870       124.4596 1002.744       78.29704 118.2534 6.184785 108.2927 4.233933 9.960655       7.495183 
1 1 1 2   11 8  o 98.91399 3.610700 836.3558       60.98893 953.6332       117.2219 792.8255       71.41628 105.2806 6.552655 96.28053 4.343670 9.000031       7.861600 
1 1 1 2   11 9  o 93.50807 3.686156 747.5793       58.86060 791.6975       106.8099 728.3378       70.53788 95.86543 6.564018 92.26724 4.476854 3.598183       7.945348 
1 1 1 2   11 10 o 66.44884 3.352818 378.4313       37.92240 346.1225       78.41972 388.2929       43.32509 63.05011 7.425838 67.27680 3.786533 -4.226688      8.335521 
1 1 1 2   11 11 o 135.8100 3.624419 1577.320       84.05665 1465.371       147.7948 1630.844       102.1943 130.4913 6.654583 138.0483 4.335046 -7.556976      7.942047 
1 1 1 2   11 12 o 151.1899 4.917789 1957.932       126.9681 2004.594       180.6019 1912.331       178.5359 152.7431 6.924031 149.1751 7.008535 3.567932       9.851993 
1 1 1 2   11 13 o 102.7439 4.872504 904.4183       85.48902 956.1701       119.1661 849.5416       122.7113 105.2800 6.662706 99.10506 7.302249 6.174927       9.885064 
1 1 1 2   11 14 o 113.4542 4.669281 1102.786       90.46327 1125.691       133.8856 1083.544       122.7122 114.1936 6.898170 112.1075 6.436886 2.086075       9.434948 
1 1 1 2   11 15 o 142.4015 4.863520 1738.297       118.2680 1613.661       167.8545 1861.171       166.6642 136.6912 7.216595 147.0980 6.634888 -10.40674      9.803110 
1 1 1 2   11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   11 18 o 60.97679 6.262394 323.2088       64.28277 334.5601       97.21171 314.3882       85.69302 61.34920 9.593356 59.64668 8.666739 1.702526       12.92845 
1 1 1 2   11 19 o 211.7686 5.729968 3856.303       207.2124 3645.401       293.9621 4064.587       292.1317 205.0686 8.394412 216.7269 7.893395 -11.65834      11.52267 
1 1 1 2   11 20 o 128.5934 5.489009 1423.234       120.5354 1241.604       171.9448 1598.735       169.0186 119.1617 8.505758 135.6833 7.321786 -16.52158      11.22303 
1 1 1 2   11 21 o 241.5005 6.175809 5043.822       254.6911 4777.797       366.2968 5292.812       354.3743 233.2491 9.196259 246.0413 8.434361 -12.79225      12.47837 
1 1 1 2   11 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   11 23 f 82.68590 7.051514 601.4920       98.61547 668.9058       162.9697 562.5473       123.8673 85.27314 11.48361 79.06893 9.355140 6.204208       14.81188 
1 1 1 2   11 24 o 141.8321 5.503691 1746.535       133.3001 1841.860       195.1293 1663.123       182.5304 144.1595 7.957235 137.0453 7.832043 7.114197       11.16506 
1 1 1 2   11 25 o 90.49554 6.379913 721.3409       97.96117 773.4768       148.6265 681.2947       130.2594 92.00336 9.601443 86.68237 8.927584 5.320984       13.11066 
1 1 1 2   11 26 o 32.58572 9.288898 99.74205       54.20491 97.62304       121.3525 100.2702       60.58464 35.43014 13.84620 32.71669 9.954887 2.713451       17.05336 
1 1 1 2   11 27 o 26.99463 9.531775 61.82040       54.76711 -86.99451      121.1720 100.0257       61.39611 24.54535 11.50115 32.54798 10.04285 -8.002625      15.26877 
1 1 1 2   11 28 o 33.63988 9.604128 109.2944       57.90059 455.2201       125.2644 15.30471       65.29443 68.10811 11.15668 22.91768 9.689404 45.19043       14.77688 
1 1 1 2   12 0  o 154.6651 3.143725 2043.996       83.03068 2164.204       119.8330 1932.994       115.1530 159.0906 4.410927 150.3488 4.485114 8.741806       6.290669 
1 1 1 2   12 1  o 177.9173 4.021840 2706.127       122.1926 2511.690       175.6144 2888.608       170.1290 171.2758 6.004297 183.7249 5.422612 -12.44911      8.090508 
1 1 1 2   12 2  o 226.4096 3.922332 4382.202       151.6495 4109.338       216.9236 4643.035       212.0879 219.0889 5.798083 232.9297 5.331987 -13.84074      7.877046 
1 1 1 2   12 3  o 183.0924 4.863918 2867.912       152.0752 2819.552       217.0498 2914.543       213.1372 181.3506 7.008716 184.4055 6.768360 -3.054840      9.743346 
1 1 1 2   12 4  o 27.73991 7.704845 67.97641       37.80098 57.29859       51.57263 80.37275       55.56800 27.01596 9.267798 30.68002 9.568833 -3.664061      13.32121 
1 1 1 2   12 5  o 81.26274 3.606235 564.5289       50.04347 614.6854       82.70213 535.5554       62.85717 84.52099 5.764341 78.97903 4.681472 5.541962       7.425888 
1 1 1 2   12 6  o 138.0764 3.482583 1629.838       82.11507 1455.832       118.6473 1789.813       113.7631 130.3904 5.328565 144.6277 4.606258 -14.23729      7.043523 
1 1 1 2   12 7  o 119.4978 3.922443 1221.296       80.04209 1118.609       142.2342 1268.887       96.82963 113.8909 7.352559 121.7620 4.656875 -7.871048      8.703253 
1 1 1 2   12 8  o 123.1178 3.630779 1296.223       76.33477 1311.976       140.6485 1289.646       90.88507 123.4576 6.696422 122.7649 4.335273 0.6926651      7.977259 
1 1 1 2   12 9  o 26.85569 6.793238 64.33130       31.17635 65.80376       76.93575 64.04201       34.10171 30.66037 11.23603 26.85549 7.261683 3.804884       13.37836 
1 1 1 2   12 10 o 175.1317 3.697811 2623.634       110.5888 2744.804       198.6981 2569.254       133.1108 178.7846 6.508212 173.2304 4.499740 5.554169       7.912299 
1 1 1 2   12 11 o 122.4178 3.307897 1281.598       69.15102 1288.046       127.1113 1278.888       82.41366 122.4945 6.076667 122.2471 3.947832 0.2474060      7.246465 
1 1 1 2   12 12 o 122.5148 4.724223 1286.072       98.83732 1306.803       140.6655 1265.857       138.9053 123.1001 6.716941 121.1460 6.741097 1.954170       9.516285 
1 1 1 2   12 13 o 92.94077 5.017308 742.7625       79.33539 861.3721       119.3264 648.7949       106.2100 99.78579 7.048032 86.49483 7.257830 13.29096       10.11686 
1 1 1 2   12 14 o 278.4490 22.54498 7247.530       1062.806 7318.724       1470.713 7169.714       1537.585 267.4655 32.89341 261.5529 35.32935 5.912659       48.27152 
1 1 1 2   12 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   12 16 o 198.0425 5.390796 3367.096       182.3111 3430.978       260.0713 3305.374       255.6396 199.3670 7.639012 195.6805 7.650304 3.686478       10.81118 
1 1 1 2   12 17 o 29.83846 10.82807 64.95191       71.19901 196.0956       99.89804 -70.43781      101.5023 46.39290 12.37971 23.81875 10.93797 22.57415       16.51958 
1 1 1 2   12 18 o 22.24545 9.942203 -30.35378      77.26616 -81.60204      101.8207 39.22255       118.6390 23.27863 10.78435 32.65189 13.36710 -9.373257      17.17503 
1 1 1 2   12 19 o 51.82653 9.512897 242.0978       81.08866 162.0199       121.8934 305.6697       108.6066 43.02164 14.24539 57.85480 11.39841 -14.83316      18.24430 
1 1 1 2   12 20 o 125.6655 5.901144 1364.965       126.6351 1283.477       195.2381 1424.144       166.3814 120.3226 9.581411 127.6116 7.670686 -7.289001      12.27367 
1 1 1 2   12 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   12 22 o 126.4094 5.607376 1385.180       121.0434 1436.623       179.0353 1341.868       164.2776 127.3723 8.276056 123.3095 7.842286 4.062782       11.40152 
1 1 1 2   12 23 o 56.07114 8.961498 286.5299       82.91743 186.2268       128.6363 357.8300       108.4554 44.28726 14.63264 62.08450 10.61094 -17.79725      18.07502 
1 1 1 2   12 24 o 59.05370 8.543389 317.6768       83.65101 422.7216       130.0319 243.5102       109.2614 66.54652 11.87830 49.83151 12.77881 16.71500       17.44683 
1 1 1 2   12 25 f 43.27967 11.41304 183.0124       85.55740 21.77205       150.9499 259.3285       103.8494 32.82328 14.31247 51.29959 12.05818 -18.47631      18.71487 
1 1 1 2   12 26 o 25.18206 10.69436 16.94264       80.11089 136.6362       147.1328 -33.49388      95.50952 39.23851 15.27066 23.87148 10.82701 15.36702       18.71944 
1 1 1 2   12 27 o 70.68151 8.196064 461.2921       97.09055 499.1671       165.2982 441.3428       119.9654 68.42860 14.59132 67.35349 10.79482 1.075111       18.15034 
1 1 1 2   13 0  o 165.4772 3.879023 2341.832       109.6131 2311.398       157.9360 2370.115       152.2528 164.2505 5.630830 166.3504 5.359688 -2.099915      7.773835 
1 1 1 2   13 1  o 87.61027 4.257110 656.6653       63.69008 762.7079       96.03162 573.3933       85.09886 94.13831 6.005046 81.54987 6.156178 12.58843       8.599948 
1 1 1 2   13 2  o 181.5443 4.002326 2819.124       124.0786 2740.639       156.5529 2951.713       203.4791 178.8971 5.124553 185.5033 6.423419 -6.606232      8.217138 
1 1 1 2   13 3  o 278.8289 5.166902 6658.475       246.0197 6805.383       417.8486 6580.525       304.3685 281.1008 8.704724 276.9591 6.435498 4.141632       10.82533 
1 1 1 2   13 4  o 183.0066 3.793844 2864.473       118.5627 2735.893       170.5363 2984.766       164.9492 178.6743 5.589243 186.6732 5.174475 -7.998917      7.616747 
1 1 1 2   13 5  o 112.4847 3.370485 1081.846       64.74226 1187.959       101.4981 1009.055       84.06486 117.7702 5.046852 108.5732 4.534087 9.196945       6.784443 
1 1 1 2   13 6  o 229.3217 3.907996 4498.941       153.0387 4319.900       221.4993 4662.479       211.6925 224.4527 5.778904 233.2593 5.314526 -8.806610      7.851110 
1 1 1 2   13 7  o 217.4339 4.389263 4047.314       162.9749 3962.895       277.1525 4091.933       201.4931 214.6011 7.562840 218.4820 5.400606 -3.880936      9.293176 
1 1 1 2   13 8  o 268.2873 4.707461 6165.405       215.6695 6058.496       376.5233 6217.608       263.1077 265.0539 8.318706 269.2152 5.723109 -4.161316      10.09727 
1 1 1 2   13 9  o 124.7687 3.790757 1332.085       80.76691 1306.217       149.9364 1342.659       95.86419 123.0016 7.169373 125.2084 4.483539 -2.206825      8.455887 
1 1 1 2   13 10 o 151.9014 3.751251 1974.579       97.30604 2016.782       173.2100 1955.118       117.6208 153.1514 6.622929 151.0698 4.559366 2.081604       8.040585 
1 1 1 2   13 11 o 52.84684 4.488844 240.9790       40.12600 208.7312       92.20176 248.5137       44.56786 47.98030 11.41834 53.61665 4.922632 -5.636349      12.43426 
1 1 1 2   13 12 o 61.90315 21.21082 335.8045       270.1148 283.0262       328.3603 446.2741       475.0559 61.03693 23.04904 73.43367 27.72524 -12.39674      36.05479 
1 1 1 2   13 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   13 15 o 66.10802 6.348548 379.5516       70.78746 399.3977       115.0611 367.4656       89.79095 66.92940 10.40520 64.64204 8.327888 2.287361       13.32749 
1 1 1 2   13 16 o 96.15154 5.655680 797.5536       92.45411 748.8738       124.8570 856.6467       137.5645 92.68780 7.965787 99.11887 8.201003 -6.431068      11.43286 
1 1 1 2   13 17 o 148.0373 5.749475 1887.135       145.3454 1745.955       219.6516 1997.101       193.8556 141.2006 9.158963 151.8465 7.476042 -10.64592      11.82277 
1 1 1 2   13 18 o 149.8460 5.560614 1935.929       142.2885 1877.037       207.9474 1987.778       195.1175 146.4402 8.350149 151.2208 7.555841 -4.780533      11.26125 
1 1 1 2   13 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   13 20 o 85.96828 7.138467 649.0570       103.8482 670.2514       148.0704 628.5398       145.6856 86.13242 10.26945 83.28580 10.47513 2.846626       14.66936 
1 1 1 2   13 21 o 81.89883 6.753685 589.6581       93.61161 676.0198       142.8625 524.6776       123.9222 86.39494 9.860017 76.03654 9.769881 10.35841       13.88058 
1 1 1 2   13 22 o 106.4867 5.940770 990.9942       107.5984 1143.921       161.0658 867.7421       144.5971 113.1719 8.394003 98.32959 8.701227 14.84229       12.09011 
1 1 1 2   13 23 o 57.45162 9.498148 305.7990       89.92821 206.8460       155.6136 355.4156       110.1911 45.85371 16.07756 61.31405 10.92461 -15.46033      19.43798 
1 1 1 2   13 24 o 85.58413 6.621532 651.4673       96.01987 864.0427       146.3053 490.6269       127.2627 97.12428 8.920964 71.92900 10.68558 25.19528       13.91996 
1 1 1 2   13 25 o 72.11475 7.480495 470.8896       90.78041 525.9344       139.3759 430.3311       119.6384 73.63007 11.45742 66.90356 10.84284 6.726501       15.77466 
1 1 1 2   13 26 o 24.74971 10.48406 19.65190       76.67876 3.769371       122.7335 29.82010       98.20309 28.65304 12.68401 27.87101 11.83853 0.7820225      17.35035 
1 1 1 2   14 0  o 82.20558 4.740867 580.7009       66.26963 553.0343       86.67669 619.6292       102.8152 80.00255 6.398017 84.58828 7.185812 -4.585732      9.621357 
1 1 1 2   14 1  o 184.8995 4.390733 2926.923       138.6356 2782.784       175.1993 3168.345       226.7418 180.1243 5.695845 191.9927 6.915840 -11.86844      8.959435 
1 1 1 2   14 2  f 321.3864 5.110659 8851.908       280.4829 9124.417       475.4537 8706.450       347.3658 325.2110 8.561328 318.4036 6.388621 6.807343       10.68227 
1 1 1 2   14 3  o 69.79269 3.595422 417.7849       42.70548 493.8992       65.66710 362.0007       56.21737 75.74252 5.106800 64.78962 5.122949 10.95290       7.233534 
1 1 1 2   14 4  o 228.9708 3.820898 4486.138       149.3990 4339.657       213.3992 4626.947       209.2267 224.9307 5.555742 232.3091 5.274108 -7.378387      7.660450 
1 1 1 2   14 5  o 134.8312 3.557459 1555.218       81.90910 1627.048       126.7246 1503.676       107.3462 137.7380 5.387722 132.4787 4.745029 5.259384       7.179335 
1 1 1 2   14 6  o 112.4739 3.270201 1081.969       62.80989 1138.912       95.53265 1038.613       83.35971 115.2779 4.852930 110.1190 4.432943 5.158897       6.572816 
1 1 1 2   14 7  o 181.3762 3.547359 2814.667       109.8721 2680.089       162.4445 2928.148       149.1683 176.7504 5.381986 184.8491 4.725601 -8.098740      7.162198 
1 1 1 2   14 8  o 410.6196 6.801804 14510.01       476.9421 13867.48       804.5244 14858.18       592.2309 398.2786 11.82906 414.6862 8.363144 -16.40756      14.48685 
1 1 1 2   14 9  o 84.32364 3.779636 608.6550       54.42535 618.9681       100.3073 604.3520       64.79207 84.49089 7.015635 83.85642 4.541566 0.6344681      8.357329 
1 1 1 2   14 10 o 208.3827 19.48528 3992.532       685.3300 3954.693       948.0212 4033.952       991.8708 199.6090 28.63220 200.4154 29.89608 -0.8064575     41.39539 
1 1 1 2   14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   14 12 o 160.3857 3.883595 2202.658       106.3657 2408.872       192.2683 2111.714       127.6840 167.2466 6.732068 156.9264 4.764732 10.32022       8.247630 
1 1 1 2   14 13 o 39.69851 8.497057 141.6072       55.86368 26.56609       86.01753 225.5231       73.46536 27.85898 11.39081 50.28075 8.880918 -22.42176      14.44373 
1 1 1 2   14 14 o 231.3058 5.792233 4601.432       228.7887 4697.996       328.1164 4510.056       319.1807 232.8562 8.251602 228.1751 8.191557 4.681061       11.62715 
1 1 1 2   14 15 o 57.52053 9.006366 294.7287       85.56261 240.1964       132.8583 333.3749       111.8446 50.98451 14.54557 60.64956 11.21203 -9.665047      18.36527 
1 1 1 2   14 16 o 87.66597 6.576019 668.2949       97.72824 879.9711       148.7646 507.5902       129.6217 100.0035 8.800938 75.26593 10.35958 24.73760       13.59329 
1 1 1 2   14 17 o 86.25894 7.227343 651.5152       105.4783 198.0357       174.3419 913.3432       132.4741 47.74574 16.99063 102.0851 7.654914 -54.33934      18.63543 
1 1 1 2   14 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   14 19 o 67.62379 8.306683 408.5257       93.90742 401.2683       160.4677 412.3057       115.8091 64.16232 14.92669 67.11647 10.44404 -2.954147      18.21768 
1 1 1 2   14 20 o 33.29539 11.24723 96.86408       75.93877 129.5690       120.8811 75.54268       97.60223 38.98060 14.11452 32.64045 12.50846 6.340153       18.85951 
1 1 1 2   14 21 o 55.23552 9.064010 279.6956       82.52859 269.4233       128.4882 286.9098       107.6766 52.11010 14.09761 54.74898 11.86006 -2.638885      18.42291 
1 1 1 2   14 22 o 37.68270 11.70766 135.2689       83.27586 212.5379       148.2832 99.67136       100.6466 46.00361 15.71577 34.55587 12.81839 11.44774       20.28045 
1 1 1 2   14 23 o 87.67160 7.089603 688.4136       105.2325 762.2170       150.1962 617.2522       147.4833 90.36062 9.895479 80.42162 11.02964 9.939003       14.81801 
1 1 1 2   14 24 o 85.77279 7.230530 662.9366       104.9187 553.4347       149.5251 769.1398       147.2558 74.95170 12.09406 90.63967 9.662723 -15.68797      15.48013 
1 1 1 2   14 25 o 52.07475 10.54997 266.2632       90.60197 417.0904       157.5632 191.7572       110.7415 61.65382 15.08829 42.68073 13.53598 18.97309       20.27016 
1 1 1 2   15 0  o 35.60220 8.160440 113.7479       48.55173 83.99564       79.59572 131.3775       61.27040 32.82619 11.49913 38.19532 9.446373 -5.369129      14.88167 
1 1 1 2   15 1  o 133.6810 4.777699 1531.765       109.0662 1516.237       162.9364 1544.371       146.8073 132.4802 7.229530 134.0223 6.414587 -1.542130      9.665041 
1 1 1 2   15 2  o 75.37964 4.481358 488.5286       57.42558 458.6655       87.54617 511.0814       76.07977 72.63358 7.150993 76.92604 5.835000 -4.292465      9.229514 
1 1 1 2   15 3  o 131.9378 3.414932 1489.320       76.94019 1471.642       115.2761 1503.522       103.3224 130.9836 5.153716 132.4599 4.567812 -1.476288      6.886632 
1 1 1 2   15 4  o 154.9565 3.720748 2055.200       98.45592 1995.620       144.3016 2107.093       134.6720 152.4669 5.542346 156.7419 5.031416 -4.274994      7.485503 
1 1 1 2   15 5  o 227.1629 3.979748 4418.630       154.3814 4455.280       224.8139 4385.924       212.3735 227.7429 5.780647 226.0270 5.502221 1.715866       7.980621 
1 1 1 2   15 6  o 69.86655 12.81275 441.6885       147.2335 459.1541       176.4498 401.6525       267.1499 70.63220 15.08737 65.98275 21.03424 4.649452       25.88567 
1 1 1 2   15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 10 o 132.0192 3.938727 1492.802       88.79633 1686.726       168.6085 1418.374       104.4556 139.6708 7.092506 128.5942 4.756728 11.07660       8.539912 
1 1 1 2   15 11 o 145.3387 3.991063 1809.605       99.05392 1766.717       185.8569 1826.620       117.0654 142.7742 7.650854 145.9267 4.697773 -3.152496      8.978008 
1 1 1 2   15 12 o 48.57729 5.408805 205.2902       44.10614 250.3651       106.8744 196.0374       48.42195 52.26862 12.19657 47.32786 6.135735 4.940762       13.65297 
1 1 1 2   15 13 o 153.8636 5.364194 2036.566       140.9426 1932.909       199.4241 2140.014       199.2220 149.0623 7.862249 157.1873 7.421948 -8.125092      10.81204 
1 1 1 2   15 14 o 32.34385 12.28646 69.79426       93.65321 -9.466848      149.5534 120.9291       120.1226 32.79404 14.27410 39.06363 14.08158 -6.269596      20.05096 
1 1 1 2   15 15 o 162.3705 5.558695 2276.095       154.1282 2225.632       224.6879 2320.945       211.8210 159.2932 8.288632 163.1835 7.601354 -3.890228      11.24642 
1 1 1 2   15 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 17 o 28.35333 11.23273 44.58701       80.84018 15.04343       146.8067 57.44380       96.84575 33.31712 14.32059 31.19977 12.31538 2.117350       18.88777 
1 1 1 2   15 18 o 44.34797 10.63489 184.3750       79.49950 151.1179       125.1523 206.8723       102.9347 41.16325 14.41918 46.50630 12.63342 -5.343056      19.17071 
1 1 1 2   15 19 o 131.3302 5.826835 1502.095       130.6770 1543.641       203.1523 1472.772       170.6725 131.0037 9.138293 128.8407 7.793945 2.163010       12.01058 
1 1 1 2   15 20 o 80.80557 7.323669 582.0742       99.96027 558.6649       142.8675 604.5241       139.9093 77.07696 11.18075 80.70792 10.39294 -3.630959      15.26507 
1 1 1 2   15 21 o 52.67250 10.18505 263.3443       88.29760 144.5022       154.7683 320.6917       107.5112 40.56648 15.69684 57.62870 11.32866 -17.06222      19.35792 
1 1 1 2   15 22 f 30.12144 11.19447 74.27873       76.83208 116.3652       121.3022 46.08190       99.28814 36.59566 13.96351 29.50681 12.17117 7.088856       18.52342 
1 1 1 2   15 23 o 59.60132 8.779174 331.7685       86.67706 456.9183       135.1036 244.2235       112.9971 67.73213 12.12601 48.47713 13.26477 19.25500       17.97204 
1 1 1 2   15 24 o 60.85877 9.362194 352.9452       94.17966 509.8194       161.9113 272.7258       115.7821 69.13722 14.18952 50.79086 13.22070 18.34636       19.39405 
1 1 1 2   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 5  o 67.82104 5.061548 396.8741       58.19819 366.2673       100.1697 412.4702       71.50478 64.29951 9.400444 68.98311 6.134027 -4.683601      11.22473 
1 1 1 2   16 6  o 55.83620 5.767628 270.7932       54.20161 189.8089       107.0473 298.7134       62.85427 45.76045 13.05686 58.56709 6.388231 -12.80664      14.53585 
1 1 1 2   16 7  o 132.7142 3.779511 1508.353       85.65543 1423.390       128.2281 1576.813       115.1023 128.6570 5.836435 135.5449 4.972776 -6.887894      7.667625 
1 1 1 2   16 8  o 176.3272 4.320295 2665.361       130.0872 2689.458       237.1228 2654.985       155.5918 176.3029 7.876115 175.8291 5.181960 0.4738312      9.427931 
1 1 1 2   16 9  f 232.2321 4.630857 4627.907       183.6477 4507.950       323.6428 4684.875       223.0317 227.9439 8.314499 233.3897 5.596069 -5.445831      10.02232 
1 1 1 2   16 10 o 157.7004 4.001049 2132.215       107.7478 2322.339       194.2186 2047.682       129.5047 163.9044 6.939022 154.3814 4.912341 9.523041       8.501830 
1 1 1 2   16 11 o 162.5369 4.221821 2267.407       117.1800 2025.247       208.8176 2378.714       141.5718 152.3746 8.053742 166.3090 4.984931 -13.93434      9.471658 
1 1 1 2   16 12 o 56.74259 5.537413 280.2882       52.97212 282.7301       129.9075 279.8012       58.01441 54.77875 13.87270 56.57747 6.101226 -1.798714      15.15509 
1 1 1 2   16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 15 o 55.26738 9.094085 277.0361       82.84215 260.0135       129.3151 288.8849       107.8876 51.90017 14.18566 55.50030 11.74954 -3.600132      18.41968 
1 1 1 2   16 16 o 64.14577 9.399097 374.1425       99.90275 244.0334       156.8858 462.8870       129.5688 49.96036 16.13949 70.69596 11.09808 -20.73560      19.58700 
1 1 1 2   16 17 o 62.71292 8.699569 356.3133       90.65648 337.3651       155.5995 366.0508       111.5443 57.87708 15.45315 62.65049 10.81710 -4.773403      18.86292 
1 1 1 2   16 18 o 75.70983 7.096044 509.6519       90.67214 510.9603       138.7254 508.6761       119.8048 73.61650 11.40397 74.42282 9.654296 -0.8063202     14.94175 
1 1 1 2   16 19 o 56.49913 10.56088 303.1483       98.14646 564.2992       155.4154 129.9123       126.5806 76.30543 12.34907 38.42165 14.35096 37.88378       18.93276 
1 1 1 2   16 20 o 122.3478 5.745355 1314.989       120.0369 1329.271       178.3943 1303.173       162.2654 120.5734 8.723080 120.0401 7.961024 0.5332413      11.80974 
1 1 1 2   16 21 o 57.24821 9.655420 310.4828       91.03366 397.3490       157.3446 266.7753       111.6103 60.87113 15.18670 51.16427 12.80477 9.706860       19.86449 
1 1 1 2   16 22 f 28.51247 11.09734 60.92071       77.70712 37.36938       124.4393 75.97482       99.48952 30.68790 13.18737 31.50917 12.46810 -0.8212719     18.14828 
1 1 1 2   17 0  f 102.3891 4.214722 898.5822       73.69271 967.8378       115.1796 850.5839       95.88721 105.8062 6.404914 99.30240 5.678132 6.503830       8.559446 
1 1 1 2   17 1  o 102.4778 4.660613 900.9289       81.55953 831.2279       153.8243 928.1863       96.19402 97.31330 9.372486 103.7869 5.446572 -6.473610      10.84014 
1 1 1 2   17 2  o 87.23312 5.614269 656.9283       83.18858 599.5042       104.6195 755.6627       137.1826 82.95869 7.464908 92.89917 8.750506 -9.940483      11.50201 
1 1 1 2   17 3  o 164.6990 3.817934 2323.753       107.3795 2321.852       159.1073 2325.343       145.5162 164.3048 5.670716 164.5273 5.179306 -0.2224426     7.679989 
1 1 1 2   17 4  o 96.21162 4.366449 793.9404       71.73942 600.8959       108.9443 941.7335       95.32415 82.94773 7.782254 104.5313 5.358172 -21.58360      9.448464 
1 1 1 2   17 5  o 127.2014 5.754577 1392.963       124.9992 1223.789       214.3512 1480.139       153.8710 117.5663 10.79747 130.7065 6.918415 -13.14026      12.82380 
1 1 1 2   17 6  o 108.1074 4.107245 1002.367       75.82421 1000.942       127.8199 1003.141       94.18609 107.3531 7.010893 108.0176 5.106112 -0.6644516     8.673235 
1 1 1 2   17 7  o 82.39399 4.461250 584.6427       62.53641 539.8369       106.6160 608.1437       77.21426 78.38950 8.080409 83.87071 5.420193 -5.481209      9.729928 
1 1 1 2   17 8  o 147.8543 4.151559 1876.703       104.8207 1720.038       190.8693 1944.356       125.4275 140.3086 7.999312 150.3392 4.885608 -10.03062      9.373269 
1 1 1 2   17 9  o 113.2939 4.224615 1102.786       81.73263 1038.561       152.1241 1128.849       96.90775 108.7073 8.256477 114.4910 4.956615 -5.783752      9.630029 
1 1 1 2   17 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17 12 o 163.9497 4.186417 2313.118       117.2074 2712.551       219.8066 2154.423       138.5479 176.1397 7.307715 157.9140 5.137799 18.22566       8.933066 
1 1 1 2   17 13 o 25.56815 7.733544 58.04585       36.64307 137.2421       117.5411 49.52053       38.56494 39.67501 13.96883 24.20045 8.012703 15.47457       16.10377 
1 1 1 2   17 14 o 36.81656 11.80305 123.9429       84.02741 -54.42030      120.1352 294.7753       117.5717 26.52683 12.07421 55.39843 12.69940 -28.87160      17.52316 
1 1 1 2   17 15 o 121.3690 5.658279 1281.969       117.2720 1367.647       173.9607 1210.598       158.7732 123.7919 8.276889 116.5914 8.023439 7.200478       11.52747 
1 1 1 2   17 16 o 45.56747 12.01260 201.4685       94.80183 105.0277       150.5333 264.8604       122.0448 38.23939 15.27141 51.59032 13.64386 -13.35093      20.47855 
1 1 1 2   17 17 o 85.69526 6.590997 651.4741       95.71207 711.1136       145.7595 606.2656       126.9053 87.55929 9.923625 81.15787 9.326357 6.401421       13.61834 
1 1 1 2   17 18 o 51.38558 9.692441 250.0419       81.93169 229.1559       128.3175 264.4179       106.4579 46.94762 14.52419 51.48710 12.28034 -4.539478      19.01996 
1 1 1 2   17 19 o 20.34100 9.436578 -52.86122      78.36013 73.74577       144.4063 -105.6998      93.28947 34.79656 14.54216 20.13420 9.624751 14.66236       17.43875 
1 1 1 2   17 20 o 57.69647 8.997566 313.5662       85.75755 442.8709       133.4096 222.5116       111.9517 66.39244 12.21720 46.03026 13.41843 20.36218       18.14702 
1 1 1 2   17 21 o 37.03626 11.55515 138.1171       81.02462 143.8174       128.0051 134.3064       104.6602 38.11583 14.39160 36.77077 13.15590 1.345062       19.49862 
1 1 1 2   18 0  f 168.1462 3.892796 2425.862       111.7765 2264.175       166.2361 2559.287       151.0103 161.9007 6.012773 172.3997 5.129419 -10.49898      7.903440 
1 1 1 2   18 1  o 119.7547 3.905358 1230.617       79.86475 1171.295       124.0925 1272.563       104.3479 116.2133 6.276266 121.5802 5.025958 -5.366928      8.040632 
1 1 1 2   18 2  o 75.72952 4.592893 494.9083       59.11480 544.8423       97.11543 465.5160       74.50862 78.86242 7.293962 73.15644 6.017553 5.705978       9.455835 
1 1 1 2   18 3  o 147.5195 3.885111 1867.891       97.87116 1868.781       147.2351 1867.187       131.0038 147.0635 5.862792 147.1837 5.212214 -0.1201782     7.844712 
1 1 1 2   18 4  o 164.1175 3.868541 2312.287       108.4186 2116.853       161.8222 2471.465       146.0432 156.4144 6.058423 169.3496 5.050046 -12.93526      7.887170 
1 1 1 2   18 5  o 52.46941 9.473809 249.8087       81.76168 262.5469       109.7813 233.9423       122.5220 52.95011 12.36521 49.74104 13.89118 3.209068       18.59740 
1 1 1 2   18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18 8  o 27.86537 9.090031 66.84532       49.70050 98.74491       104.0862 57.42418       56.56558 35.53053 13.06177 27.12190 9.675159 8.408623       16.25480 
1 1 1 2   18 9  o 12.02116 5.932623 -95.28423      43.99179 -318.8509      116.0642 -57.77747      47.53894 17.74139 8.894757 14.66518 6.971076 3.076219       11.30100 
1 1 1 2   18 10 o 18.67337 7.957584 1.771379       44.63395 87.02182       96.04707 -21.70968      50.40744 33.65585 12.51463 17.72039 7.966838 15.93546       14.83531 
1 1 1 2   18 11 o 59.06489 5.453382 305.1900       54.38330 287.1584       111.2191 310.8560       62.34484 54.86343 12.18800 59.39916 6.239609 -4.535728      13.69233 
1 1 1 2   18 12 o 86.24554 4.640405 645.0378       68.09170 605.0517       145.0768 656.3350       77.11295 80.87188 10.77304 86.82205 5.225442 -5.950172      11.97345 
1 1 1 2   18 13 o 71.56342 4.694716 445.3343       57.05429 618.4166       135.7166 408.1790       62.88068 82.07233 9.882176 68.28647 5.437438 13.78587       11.27932 
1 1 1 2   18 14 o 121.3189 6.225766 1295.212       128.5459 1317.603       193.4345 1277.502       172.0256 120.0305 9.515105 118.9567 8.524943 1.073822       12.77544 
1 1 1 2   18 15 o 97.59511 6.503079 844.6372       107.7594 811.3405       175.0630 864.9496       136.7331 92.27887 11.34857 97.66361 8.276431 -5.384743      14.04597 
1 1 1 2   18 16 o 71.16070 8.703602 466.9851       103.5602 475.0173       161.1352 461.3326       135.1741 67.74840 14.37321 68.58357 11.97761 -0.8351746     18.70969 
1 1 1 2   18 17 o 69.57619 7.654146 440.6370       89.43713 348.9322       138.4395 506.3287       117.1708 57.68630 14.15871 73.41865 9.573505 -15.73235      17.09155 
1 1 1 2   18 18 o 82.03323 6.931021 607.2616       96.18441 548.5209       146.5224 651.7422       127.5028 74.21187 11.96909 83.44035 9.095662 -9.228485      15.03297 
1 1 1 2   18 19 o 40.05678 11.89185 164.4456       87.24150 187.5312       155.4319 153.8275       105.4121 41.87187 15.84688 38.66827 13.25039 3.203594       20.65663 
1 1 1 2   19 0  o 53.18444 5.668922 247.7189       50.69225 354.8994       84.50865 187.4778       63.35622 63.08424 8.026512 45.44556 8.475654 17.63868       11.67311 
1 1 1 2   19 1  o 77.31837 4.660118 517.3729       61.24170 533.5793       96.72054 506.5271       79.12335 77.75805 7.372117 76.12695 6.138636 1.631096       9.593277 
1 1 1 2   19 2  f 25.08367 8.778937 50.24509       46.38702 -52.27888      87.29401 90.58651       54.75797 22.25656 10.19216 31.65209 9.426927 -9.395535      13.88333 
1 1 1 2   19 3  o 84.12803 4.264187 611.1175       61.06006 634.0214       97.83660 596.5045       78.14762 84.97695 6.799089 82.79089 5.559792 2.186058       8.782875 
1 1 1 2   19 4  o 48.96407 6.689034 212.8509       54.46670 135.2545       103.1216 242.8738       64.14391 38.86538 13.10666 52.14865 7.411502 -13.28327      15.05706 
1 1 1 2   19 5  o 45.42982 9.384298 190.3058       70.39277 193.9412       102.8167 187.0983       96.57690 45.08100 12.77312 44.36055 12.31332 0.7204552      17.74177 
1 1 1 2   19 6  f 62.36641 5.172408 339.1234       54.58937 420.2019       95.74919 300.0773       66.44637 68.41621 8.370031 58.18869 6.816131 10.22751       10.79431 
1 1 1 2   19 7  o 55.45191 5.463905 269.4331       51.06713 306.5696       87.34975 250.1491       62.94472 57.96457 9.126427 52.92960 7.146734 5.034969       11.59170 
1 1 1 2   19 8  o 34.42273 9.002251 109.9023       53.51859 240.6398       146.0885 89.63647       57.51722 49.20905 15.54052 31.42570 9.724378 17.78334       18.33225 
1 1 1 2   19 9  o 45.66751 10.43498 196.9237       79.59747 0.000000       0.000000 196.9237       79.59747 ?        ?        45.66751 10.43498 0.000000       10.43498 
1 1 1 2   19 10 o 33.52712 8.946151 104.7280       52.16996 166.6816       140.2196 94.77393       56.20497 42.32705 15.21880 32.02838 9.553328 10.29867       17.96881 
1 1 1 2   19 11 o 81.24160 4.765595 574.9408       65.82526 648.2601       133.8208 551.5383       75.60415 83.93004 9.504476 79.25819 5.622469 4.671852       11.04297 
1 1 1 2   19 12 o 18.42842 7.604486 11.35244       38.77788 105.5484       109.6597 -2.109935      41.45641 35.36521 13.32823 17.46539 7.558506 17.89982       15.32230 
1 1 1 2   19 13 o 16.56010 7.017179 3.599877       34.36886 -4.747648      109.6579 4.509189       36.19242 27.22815 12.02444 17.05854 7.213128 10.16961       14.02200 
1 1 1 2   19 14 o 30.24250 7.725632 85.51333       40.04290 238.5689       113.7162 63.84881       42.78312 48.06137 13.36873 26.51081 8.413983 21.55057       15.79614 
1 1 1 2   19 15 o 38.12822 11.08795 143.5333       76.52438 197.3395       118.0513 104.5379       100.4989 43.47928 13.99541 34.28351 12.79082 9.195770       18.95987 
1 1 1 2   19 16 o 30.40798 11.11287 81.30239       75.18429 37.43549       116.1502 112.9379       98.63682 29.94222 12.80018 34.71594 12.72236 -4.773716      18.04725 
1 1 1 2   19 17 o 29.24339 11.07470 71.28973       75.94426 6.099755       117.2998 118.3366       99.64884 27.99814 12.39678 35.04733 12.79600 -7.049189      17.81623 
1 1 1 2   20 0  o 83.05066 4.387449 597.6268       62.00309 575.3262       101.0630 611.0869       78.51598 80.39360 7.446088 83.62905 5.529129 -3.235451      9.274454 
1 1 1 2   20 1  o 18.32447 7.833546 1.246014       43.50055 -25.69480      70.04028 18.16411       55.50323 20.93517 9.403378 22.18918 9.120164 -1.254005      13.09965 
1 1 1 2   20 2  o 32.41146 8.705783 97.27157       49.20747 121.9955       88.15921 86.08310       59.30545 36.50120 12.11622 30.93320 9.915765 5.568003       15.65647 
1 1 1 2   20 3  o 104.4782 3.987149 941.6831       71.13613 984.7688       110.0287 910.7393       93.24508 105.9494 6.107308 102.1920 5.361990 3.757446       8.127125 
1 1 1 2   20 4  o 47.49080 7.132640 203.0649       56.05703 345.7956       103.0133 143.0175       66.81623 60.84743 10.28027 38.91517 10.00041 21.93225       14.34197 
1 1 1 2   20 5  o 32.66547 8.986326 99.38933       51.69755 185.0755       115.7503 78.03758       57.78078 43.45183 13.84490 29.65437 9.807353 13.79746       16.96660 
1 1 1 2   20 6  o 64.78759 8.234976 381.3328       89.04938 328.9313       119.5278 446.6980       133.4966 57.96999 12.44623 68.14635 11.90494 -10.17636      17.22313 
1 1 1 2   20 7  o 23.24343 9.252522 29.92382       55.09296 45.10426       116.2413 25.52590       62.56652 31.28452 13.05845 23.80565 9.721988 7.478870       16.28006 
1 1 1 2   20 8  o 82.47376 5.068869 595.2388       71.04279 614.1749       141.9270 588.9079       82.06372 80.67275 10.55552 81.67181 5.924360 -0.9990616     12.10443 
1 1 1 2   20 9  o 73.70958 5.407689 478.1967       67.59212 636.1353       160.7588 444.2798       74.49706 80.77747 12.02051 70.68581 6.235606 10.09166       13.54162 
1 1 1 2   20 10 o 25.77298 9.155035 55.49676       50.59600 44.06451       121.9446 57.87408       55.60839 31.30655 13.23917 26.51042 9.577186 4.796125       16.34008 
1 1 1 2   20 11 o 36.12937 10.16364 126.4567       65.34071 0.000000       0.000000 126.4567       65.34071 ?        ?        36.12937 10.16364 0.000000       10.16364 
1 1 1 2   20 12 o 19.93996 8.369727 10.93062       48.15425 41.73986       149.8754 7.384052       50.85039 33.07106 14.34185 20.03535 8.514754 13.03571       16.67902 
1 1 1 2   20 13 o 27.05562 8.211087 68.19051       41.25731 241.4214       126.2070 47.46318       43.65584 47.15760 14.37227 23.85900 8.500916 23.29861       16.69813 
1 1 1 2   20 14 o 66.91747 5.202058 396.6653       58.97797 580.4442       139.8382 356.9014       65.04626 76.72788 10.98619 63.01863 6.121620 13.70925       12.57659 
1 1 1 2   21 0  o 92.69406 4.208067 745.1974       66.60955 629.6867       109.6722 812.7104       83.84535 83.34609 7.796218 96.31961 5.115905 -12.97352      9.324886 
1 1 1 2   21 1  o 44.77169 7.590330 184.1370       55.95875 106.5824       93.12165 227.9712       70.00896 34.40417 12.39888 49.47972 8.597627 -15.07556      15.08812 
1 1 1 2   21 2  o 36.88025 8.726909 128.6054       54.10449 92.15237       92.48908 147.5693       66.70953 32.92863 12.27344 39.12682 9.958837 -6.198185      15.80556 
1 1 1 2   21 3  o 18.02040 8.063701 -16.34152      50.99222 -144.9590      95.91825 34.32919       60.20461 19.09353 9.281278 24.23647 9.664546 -5.142946      13.39946 
1 1 1 2   21 4  o 71.13454 5.369396 446.0447       64.74343 443.2079       110.0220 447.5475       80.07576 68.61353 9.657294 70.63831 6.719278 -2.024780      11.76486 
1 1 1 2   21 5  o 30.77646 9.606791 88.85474       55.99681 90.44924       114.0882 88.34871       64.27101 33.93761 13.37611 30.95653 10.34770 2.981087       16.91139 
1 1 1 2   21 6  o 49.32913 7.870393 224.7105       64.06998 193.0535       149.9391 231.7820       70.86552 43.16743 15.70604 49.74148 8.657323 -6.574047      17.93401 
1 1 1 2   21 7  o 91.71252 6.003390 746.8786       93.50266 710.5984       128.0057 788.3806       136.9082 87.66299 8.664289 92.26299 8.796130 -4.599991      12.34673 
1 1 1 2   21 8  o 74.14013 5.699934 487.8419       71.61198 484.5114       163.6347 488.6310       79.64377 67.34286 14.64632 73.85224 6.377759 -6.509377      15.97468 
1 1 1 2   21 9  o 43.95580 7.999355 180.9783       57.83242 193.3466       128.1547 177.8155       64.80641 42.53716 14.60848 43.04052 9.101787 -0.5033531     17.21192 
1 1 1 2   21 10 o 27.51928 9.359731 68.91670       52.59308 -96.11488      150.9029 91.73439       56.11124 26.76231 12.63147 30.90958 9.611409 -4.147268      15.87241 
1 1 1 2   21 11 o 39.80243 8.321423 150.9837       54.73973 192.3848       129.7768 142.0238       60.37319 41.99229 14.68465 38.12972 9.344863 3.862568       17.40590 
1 1 1 2   22 0  o 53.87111 5.943700 260.3975       53.76789 379.5180       89.31687 192.6938       67.33583 63.75264 8.409385 44.80357 9.111281 18.94907       12.39892 
1 1 1 2   22 1  o 77.28909 4.830893 525.4498       63.44003 496.2580       99.42725 545.4949       82.39060 73.21751 8.087214 78.00567 6.237307 -4.788155      10.21308 
1 1 1 2   22 2  o 26.11501 9.480686 57.45243       54.59020 133.7908       98.84741 23.95154       65.48203 36.61950 12.81529 23.61436 9.824203 13.00514       16.14765 
1 1 1 2   22 3  o 57.05405 6.990201 297.4585       66.68025 367.9791       132.6565 273.6169       77.13266 58.81374 13.49472 53.75840 8.699334 5.055336       16.05571 
1 1 1 2   22 4  o 30.89580 9.817103 91.71677       58.22892 24.90952       129.3124 108.7084       65.21479 30.03104 13.16676 33.28590 10.36368 -3.254858      16.75618 
1 1 1 2   22 5  o 46.67323 8.469662 206.9059       65.01886 258.3583       112.7754 181.2886       79.57532 49.10576 13.17514 42.31799 10.93364 6.787766       17.12100 
1 1 1 2   22 6  o 22.23085 9.940999 -13.31405      77.35804 -139.8396      121.6301 72.63333       100.2462 22.18218 10.70283 30.91191 12.42068 -8.729738      16.39585 
1 1 1 3   0  0  o 45.52292 4.351954 181.8026       33.12089 181.8026       33.12089 181.8026       33.12089 45.52292 4.351954 45.52292 4.351954 0.000000       0.000000 
1 1 1 3   0  1  o 353.4656 7.187852 10690.26       433.4537 10690.26       433.4537 10690.26       433.4537 353.4656 7.187852 353.4656 7.187852 0.000000       0.000000 
1 1 1 3   0  2  o 457.3174 8.465837 17897.20       660.6232 17897.20       660.6232 17897.20       660.6232 457.3174 8.465837 457.3174 8.465837 0.000000       0.000000 
1 1 1 3   0  3  o 385.8485 7.520066 12738.65       495.0718 12738.65       495.0718 12738.65       495.0718 385.8485 7.520066 385.8485 7.520066 0.000000       0.000000 
1 1 1 3   0  4  o 55.98092 3.321723 270.4521       31.49853 270.4521       31.49853 270.4521       31.49853 55.98092 3.321723 55.98092 3.321723 0.000000       0.000000 
1 1 1 3   0  5  o 325.6507 5.744246 9070.384       319.2142 9070.384       319.2142 9070.384       319.2142 325.6507 5.744246 325.6507 5.744246 0.000000       0.000000 
1 1 1 3   0  6  o 20.05760 8.656941 49.10421       30.50121 49.10421       30.50121 49.10421       30.50121 20.05760 8.656941 20.05760 8.656941 0.000000       0.000000 
1 1 1 3   0  7  o 472.6046 7.964029 19128.21       642.3246 19128.21       642.3246 19128.21       642.3246 472.6046 7.964029 472.6046 7.964029 0.000000       0.000000 
1 1 1 3   0  8  o 125.0286 5.082412 1342.304       108.1053 1342.304       108.1053 1342.304       108.1053 125.0286 5.082412 125.0286 5.082412 0.000000       0.000000 
1 1 1 3   0  9  o 398.1239 8.032098 13567.61       545.5696 13567.61       545.5696 13567.61       545.5696 398.1239 8.032098 398.1239 8.032098 0.000000       0.000000 
1 1 1 3   0  10 f 559.1757 10.13556 26766.13       967.1105 26766.13       967.1105 26766.13       967.1105 559.1757 10.13556 559.1757 10.13556 0.000000       0.000000 
1 1 1 3   0  11 o 188.1187 4.915985 3028.842       157.6789 3028.842       157.6789 3028.842       157.6789 188.1187 4.915985 188.1187 4.915985 0.000000       0.000000 
1 1 1 3   0  12 o 160.0476 4.700385 2193.508       128.2142 2193.508       128.2142 2193.508       128.2142 160.0476 4.700385 160.0476 4.700385 0.000000       0.000000 
1 1 1 3   0  13 o 387.8046 6.756643 12862.58       447.1452 12862.58       447.1452 12862.58       447.1452 387.8046 6.756643 387.8046 6.756643 0.000000       0.000000 
1 1 1 3   0  14 o 602.4850 11.22112 31100.73       1153.571 31100.73       1153.571 31100.73       1153.571 602.4850 11.22112 602.4850 11.22112 0.000000       0.000000 
1 1 1 3   0  15 o 375.9587 7.695634 12100.86       493.6006 12100.86       493.6006 12100.86       493.6006 375.9587 7.695634 375.9587 7.695634 0.000000       0.000000 
1 1 1 3   0  16 o 86.96870 4.481081 651.3240       66.14664 651.3240       66.14664 651.3240       66.14664 86.96870 4.481081 86.96870 4.481081 0.000000       0.000000 
1 1 1 3   0  17 o 331.0258 5.780856 9376.956       326.5557 9376.956       326.5557 9376.956       326.5557 331.0258 5.780856 331.0258 5.780856 0.000000       0.000000 
1 1 1 3   0  18 o 214.5676 5.648452 3945.310       206.6402 3945.310       206.6402 3945.310       206.6402 214.5676 5.648452 214.5676 5.648452 0.000000       0.000000 
1 1 1 3   0  19 o 245.7545 7.262942 5185.891       304.1982 5185.891       304.1982 5185.891       304.1982 245.7545 7.262942 245.7545 7.262942 0.000000       0.000000 
1 1 1 3   0  20 o 118.0165 6.421797 1202.999       128.5442 1202.999       128.5442 1202.999       128.5442 118.0165 6.421797 118.0165 6.421797 0.000000       0.000000 
1 1 1 3   0  21 o 13.47351 9.178186 -37.55453      64.91569 -37.55453      64.91569 -37.55453      64.91569 13.47351 9.178186 13.47351 9.178186 0.000000       0.000000 
1 1 1 3   0  22 o 31.69135 20.21923 30.83540       242.7685 30.83540       242.7685 30.83540       242.7685 31.69135 20.21923 31.69135 20.21923 0.000000       0.000000 
1 1 1 3   0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  24 o 18.32196 11.24937 23.76906       67.91038 23.76906       67.91038 23.76906       67.91038 18.32196 11.24937 18.32196 11.24937 0.000000       0.000000 
1 1 1 3   0  25 o 47.76400 10.42235 222.3605       74.46603 222.3605       74.46603 222.3605       74.46603 47.76400 10.42235 47.76400 10.42235 0.000000       0.000000 
1 1 1 3   0  26 o 9.252495 6.734587 -135.4418      61.23984 -135.4418      61.23984 -135.4418      61.23984 9.252495 6.734587 9.252495 6.734587 0.000000       0.000000 
1 1 1 3   0  27 o 13.85405 9.387372 -32.09693      66.09647 -32.09693      66.09647 -32.09693      66.09647 13.85405 9.387372 13.85405 9.387372 0.000000       0.000000 
1 1 1 3   0  28 o 13.71592 9.255510 -26.92498      62.97178 -26.92498      62.97178 -26.92498      62.97178 13.71592 9.255510 13.71592 9.255510 0.000000       0.000000 
1 1 1 3   0  29 o 10.06960 7.247465 -105.3309      61.42060 -105.3309      61.42060 -105.3309      61.42060 10.06960 7.247465 10.06960 7.247465 0.000000       0.000000 
1 1 1 3   0  30 o 125.3257 5.475978 1363.482       116.6844 1363.482       116.6844 1363.482       116.6844 125.3257 5.475978 125.3257 5.475978 0.000000       0.000000 
1 1 1 3   0  31 f 48.92176 10.64713 238.6855       77.94263 238.6855       77.94263 238.6855       77.94263 48.92176 10.64713 48.92176 10.64713 0.000000       0.000000 
1 1 1 3   0  32 o 14.21872 9.826252 -55.47181      80.77530 -55.47181      80.77530 -55.47181      80.77530 14.21872 9.826252 14.21872 9.826252 0.000000       0.000000 
1 1 1 3   1  0  o 513.5780 9.824966 22595.77       861.6669 21835.67       1246.591 23291.19       1192.378 503.8863 14.48737 520.6769 13.41046 -16.79062      19.74144 
1 1 1 3   1  1  o 120.3121 3.688466 1236.499       75.78043 1224.998       107.2165 1247.979       107.1230 119.7227 5.244247 120.8417 5.191156 -1.118942      7.379040 
1 1 1 3   1  2  o 176.0553 3.755020 2647.768       112.8920 2710.287       159.7329 2585.373       159.5741 178.0806 5.252620 173.9246 5.372787 4.155975       7.513778 
1 1 1 3   1  3  o 78.16673 3.663480 521.9432       48.90099 523.8461       69.19473 520.0445       69.11823 78.11601 5.217184 77.82984 5.230877 0.2861710      7.387901 
1 1 1 3   1  4  o 525.0649 7.749170 23597.06       694.8165 24005.94       862.9735 22843.52       1171.536 529.2602 9.548306 515.3893 13.31123 13.87091       16.38167 
1 1 1 3   1  5  o 221.9065 3.524342 4207.112       133.5519 4193.936       188.8864 4220.284       188.8554 221.4889 4.993979 222.1845 4.977529 -0.6955719     7.050931 
1 1 1 3   1  6  o 186.4412 3.470876 2970.270       110.5052 2886.042       156.2504 3054.557       156.3057 183.7025 4.980856 188.9979 4.843016 -5.295364      6.947211 
1 1 1 3   1  7  o 122.9371 2.762816 1291.104       58.00116 1289.792       82.11135 1292.409       81.94098 122.8428 3.914277 122.9677 3.902187 -0.1249313     5.527082 
1 1 1 3   1  8  f 173.0144 3.250597 2557.352       96.03893 2620.674       135.9022 2494.184       135.7371 175.0944 4.545192 170.8119 4.653488 4.282547       6.504900 
1 1 1 3   1  9  o 228.1394 3.563870 4446.188       138.8430 4536.670       196.4319 4355.849       196.2755 230.3941 4.992738 225.7516 5.091356 4.642563       7.130872 
1 1 1 3   1  10 o 204.2757 3.713434 3564.415       129.5372 3635.635       183.2185 3493.234       183.1679 206.2646 5.201668 202.1814 5.305256 4.083221       7.429879 
1 1 1 3   1  11 o 223.5423 3.161916 4267.941       120.7013 4273.625       170.8195 4262.274       170.5756 223.6583 4.472500 223.3611 4.472057 0.2972107      6.324757 
1 1 1 3   1  12 o 348.8281 4.910009 10397.32       292.4796 10616.89       413.6514 10177.81       413.6060 352.3648 6.874483 344.9906 7.020654 7.374176       9.825889 
1 1 1 3   1  13 o 256.2569 4.120983 5610.161       180.3343 5233.969       257.8058 5970.583       252.3442 247.4305 6.101514 264.2958 5.591150 -16.86531      8.275834 
1 1 1 3   1  14 o 394.9578 5.389775 13334.23       363.5158 13435.63       514.3786 13233.06       513.7997 396.2336 7.602031 393.2294 7.651488 3.004181       10.78592 
1 1 1 3   1  15 o 62.69160 4.551356 337.6850       48.39285 308.3335       68.14875 367.5398       68.73061 59.63948 6.813781 65.24984 6.244611 -5.610359      9.242444 
1 1 1 3   1  16 o 186.1769 3.789542 2962.194       120.4798 3091.405       169.9546 2831.668       170.8171 190.1165 5.234933 181.9386 5.497997 8.177917       7.591607 
1 1 1 3   1  17 o 415.7464 5.361591 14791.99       380.6485 14768.61       537.8254 14815.46       538.8126 414.9400 7.590214 415.5971 7.592123 -0.6571045     10.73553 
1 1 1 3   1  18 o 131.4464 4.031992 1477.659       90.50456 1442.932       110.2476 1549.429       158.4902 129.8379 4.972398 134.2106 6.939073 -4.372711      8.536714 
1 1 1 3   1  19 o 142.9214 3.120546 1746.056       76.16046 1676.912       105.7731 1820.499       109.7513 139.9829 4.424850 145.8542 4.406449 -5.871338      6.244685 
1 1 1 3   1  20 o 54.15409 7.050468 256.2460       63.65458 219.3175       90.14032 292.9799       89.90247 49.33787 10.98150 57.49737 9.487271 -8.159496      14.51212 
1 1 1 3   1  21 o 169.5991 4.045818 2462.068       117.1741 2299.016       142.6892 2799.704       205.3298 163.7668 5.102269 180.4708 6.662588 -16.70406      8.391854 
1 1 1 3   1  22 o 150.3920 12.86724 1997.960       327.2731 1946.324       468.5048 2047.170       457.3645 145.4602 19.34057 149.7968 18.25730 -4.336609      26.59674 
1 1 1 3   1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   1  24 o 100.9350 3.790992 872.2827       65.34261 802.5681       90.79874 947.1696       94.10682 96.51135 5.532422 105.0457 5.246150 -8.534393      7.624289 
1 1 1 3   1  25 o 52.95088 5.528942 243.7201       49.25658 305.3224       70.27498 184.2302       69.05957 59.02984 7.114899 45.19971 9.258567 13.83013       11.67659 
1 1 1 3   1  26 o 13.41107 6.426337 -58.95081      42.14260 -113.6750      64.01109 -17.08418      55.98860 15.42598 7.517191 19.32099 8.559239 -3.895011      11.39161 
1 1 1 3   1  27 o 30.07934 8.603772 81.51257       46.42210 65.39797       69.57395 94.44380       62.32425 29.41343 10.69920 32.58845 10.12892 -3.175018      14.73323 
1 1 1 3   1  28 o 53.26482 5.357177 247.9778       48.06705 216.7678       68.15473 278.8646       67.80082 48.91295 8.466153 56.00780 7.259794 -7.094849      11.15259 
1 1 1 3   1  29 o 26.13930 8.593498 59.00487       44.38719 53.35588       65.24536 63.87197       60.56190 27.31664 10.28350 28.12868 10.01357 -0.8120365     14.35346 
1 1 1 3   1  30 o 31.35800 8.594063 91.48428       47.38737 85.23969       71.82040 96.29873       63.06225 31.30148 10.92541 32.31384 10.21098 -1.012352      14.95422 
1 1 1 3   1  31 o 35.35908 9.105278 118.4555       55.31054 228.6413       78.49654 9.803850       77.94817 49.11286 9.703641 24.42280 10.46449 24.69007       14.27117 
1 1 1 3   1  32 o 94.40825 4.974836 782.2834       79.91991 742.0870       108.3864 830.1792       118.3124 90.71330 7.052271 95.80292 7.286475 -5.089615      10.14038 
1 1 1 3   2  0  o 353.3051 7.664238 10679.48       462.4031 10814.02       653.9376 10544.94       653.9360 355.1725 10.78190 350.7078 10.91913 4.464630       15.34525 
1 1 1 3   2  1  o 374.7425 7.535529 12013.92       482.2237 11500.54       696.6445 12486.19       668.1804 366.2259 11.13936 381.7212 10.25051 -15.49527      15.13798 
1 1 1 3   2  2  o 518.9779 10.36683 23084.08       918.7484 22881.88       1299.302 23286.28       1299.311 515.7027 14.75397 520.2744 14.62442 -4.571655      20.77386 
1 1 1 3   2  3  o 454.0634 7.235457 17639.71       561.0278 16652.51       945.7412 18175.74       696.8909 440.2677 12.57922 460.6764 8.858638 -20.40869      15.38545 
1 1 1 3   2  4  o 68.50874 2.794204 400.8848       32.68933 417.6970       46.38482 384.2957       46.07613 69.80951 3.906661 66.94072 4.049793 2.868790       5.626973 
1 1 1 3   2  5  o 135.5347 3.021660 1569.289       69.93559 1566.461       99.00791 1572.105       98.80013 135.3765 4.282770 135.6207 4.266086 -0.2442169     6.044966 
1 1 1 3   2  6  o 96.72382 3.159423 799.3481       52.18469 790.2847       73.89261 808.3665       73.70833 96.14006 4.500852 97.23553 4.439046 -1.095467      6.321614 
1 1 1 3   2  7  o 480.8096 6.818246 19797.83       559.8192 19995.25       791.7284 19600.44       791.6793 482.4906 9.609161 477.6749 9.705433 4.815643       13.65765 
1 1 1 3   2  8  f 195.5671 3.510962 3267.566       117.2529 3266.726       165.8730 3268.405       165.7685 195.4830 4.968950 195.5335 4.964539 -0.5044556E-01 7.024038 
1 1 1 3   2  9  o 137.5447 3.176976 1615.903       74.62078 1604.094       105.7266 1627.625       105.3339 137.0161 4.518672 138.0185 4.469190 -1.002426      6.355474 
1 1 1 3   2  10 o 119.2113 2.860663 1213.701       58.23528 1215.527       82.66550 1211.902       82.05217 119.2864 4.058180 119.1088 4.034079 0.1776505      5.722116 
1 1 1 3   2  11 o 85.10417 3.167512 618.5899       46.03318 653.4923       65.29667 584.1032       64.90658 87.46034 4.371977 82.55472 4.622683 4.905624       6.362655 
1 1 1 3   2  12 o 63.97523 3.524527 350.6597       38.35624 343.8620       54.91816 357.1335       53.59392 63.22650 5.130702 64.46281 4.905417 -1.236309      7.098396 
1 1 1 3   2  13 o 454.4178 5.390440 17649.28       418.2939 19028.03       592.4175 16278.51       590.6999 471.6257 7.355776 436.1548 7.930932 35.47086       10.81698 
1 1 1 3   2  14 o 175.7391 3.291911 2638.156       98.79121 2630.243       138.2371 2646.417       141.2348 175.4379 4.614232 175.9736 4.699940 -0.5357056     6.586393 
1 1 1 3   2  15 o 140.4215 4.162935 1685.113       99.82402 1820.809       142.8163 1555.490       139.5842 145.9072 5.731909 134.8448 6.061777 11.06233       8.342656 
1 1 1 3   2  16 o 214.1392 3.638546 3918.688       133.0534 4033.954       189.1852 3805.872       187.1631 217.1751 5.101234 210.9394 5.195897 6.235641       7.281478 
1 1 1 3   2  17 o 336.1527 5.604162 9673.481       321.6987 9847.263       541.7980 9578.854       399.8038 338.3633 9.376749 334.2589 7.004258 4.104370       11.70398 
1 1 1 3   2  18 o 67.54046 4.267408 391.7731       48.96563 423.9123       67.42358 355.9040       71.22870 70.11714 5.679802 64.08341 6.603483 6.033730       8.710116 
1 1 1 3   2  19 o 282.2062 4.930243 6819.583       237.5948 6543.458       294.2854 7336.541       402.6642 276.1946 6.239525 292.0003 8.075283 -15.80566      10.20499 
1 1 1 3   2  20 o 174.0477 3.661100 2591.260       108.8132 2471.190       151.2564 2720.055       156.6559 169.8060 5.216255 178.1598 5.149144 -8.353745      7.329597 
1 1 1 3   2  21 o 136.9538 3.435616 1604.410       80.34901 1572.961       111.9602 1637.810       115.3782 135.4830 4.839240 138.2425 4.887425 -2.759567      6.877875 
1 1 1 3   2  22 o 44.14672 17.48228 106.3084       195.7423 -21.02897      294.4416 207.1529       262.0278 45.79390 19.97820 54.08788 20.55011 -8.293972      28.66069 
1 1 1 3   2  23 o 138.8070 3.798322 1649.274       90.03368 1735.505       129.2876 1568.082       125.4528 142.2164 5.323596 135.1685 5.435039 7.047836       7.607912 
1 1 1 3   2  24 o 205.0050 5.566853 3610.178       194.8840 3828.285       276.2192 3393.991       275.0000 210.5331 7.683013 198.0966 8.129310 12.43646       11.18545 
1 1 1 3   2  25 f 148.6784 3.830776 1894.333       97.26052 1820.934       140.0467 1962.716       135.1768 145.4602 5.638022 151.0983 5.238908 -5.638077      7.696327 
1 1 1 3   2  26 o 156.7371 3.806155 2107.696       101.8733 2126.695       147.4052 2090.324       140.9524 157.0327 5.496938 155.7388 5.299973 1.293900       7.635839 
1 1 1 3   2  27 o 212.0777 3.970979 3864.735       143.8118 4023.845       203.9849 3707.496       202.7816 215.7556 5.536483 207.0078 5.736408 8.747864       7.972391 
1 1 1 3   2  28 o 98.18382 4.034990 829.7635       67.65257 831.7355       101.8473 828.2062       90.50441 97.60400 6.141867 97.62376 5.450669 -0.1976013E-01 8.211719 
1 1 1 3   2  29 o 72.75608 4.708831 459.8539       58.19017 466.3906       89.77848 455.1185       76.41415 72.39448 7.364698 71.90092 6.286737 0.4935532      9.683070 
1 1 1 3   2  30 o 88.54292 4.776763 682.8992       71.95809 653.2275       109.2579 705.6292       95.62709 85.32873 7.577006 89.36110 6.307075 -4.032372      9.858509 
1 1 1 3   2  31 o 37.06439 10.14968 132.0797       66.12679 182.7345       92.63510 79.44801       94.42542 42.87045 12.11631 31.95523 12.28961 10.91522       17.25803 
1 1 1 3   2  32 o 24.48858 10.17647 25.60351       70.14973 -132.2761      104.3053 155.9902       94.78944 20.55554 9.916289 39.29167 12.52978 -18.73614      15.97899 
1 1 1 3   3  0  o 489.3922 7.458935 20490.99       623.3555 21876.68       1063.670 19766.13       769.3082 504.7858 12.33951 480.3770 9.378128 24.40875       15.49880 
1 1 1 3   3  1  o 246.4805 6.058609 5194.502       255.0102 5117.486       360.6819 5271.482       360.5959 244.4702 8.639658 248.1317 8.510139 -3.661514      12.12708 
1 1 1 3   3  2  o 315.8968 6.540147 8535.525       352.8049 8479.140       498.9432 8591.910       498.9398 314.5693 9.288228 316.6616 9.226792 -2.092316      13.09217 
1 1 1 3   3  3  o 239.8870 5.392673 4920.217       220.9086 4926.461       319.5611 4914.501       305.7222 239.8586 7.801834 239.5958 7.472156 0.2628021      10.80286 
1 1 1 3   3  4  o 312.8937 5.324476 8372.858       284.4957 8274.362       479.2082 8426.470       353.5415 310.5727 9.035645 313.7569 6.598499 -3.184265      11.18852 
1 1 1 3   3  5  o 233.5220 4.448550 4662.379       177.3978 4532.964       302.7111 4730.072       218.9315 229.9512 7.708870 235.1324 5.452478 -5.181213      9.442256 
1 1 1 3   3  6  o 167.8608 3.605444 2407.955       103.3499 2478.714       148.3119 2341.161       144.0969 170.2352 5.101816 165.4444 5.100360 4.790817       7.214027 
1 1 1 3   3  7  o 451.4726 6.327682 17441.92       487.8407 17765.32       682.5643 17104.22       697.4999 455.1740 8.781408 446.5439 9.146986 8.630096       12.67992 
1 1 1 3   3  8  o 352.7491 4.877916 10634.56       293.8340 11014.75       415.6907 10254.92       415.3976 358.8386 6.783740 346.2173 7.026082 12.62128       9.766521 
1 1 1 3   3  9  o 528.9189 7.267862 23926.02       656.4442 24152.93       928.4142 23699.17       928.2902 530.9881 10.23894 525.9603 10.33544 5.027832       14.54844 
1 1 1 3   3  10 o 305.9618 4.616660 7997.897       241.2109 7781.649       340.9474 8214.595       341.3004 301.6984 6.617781 309.9876 6.447490 -8.289185      9.239326 
1 1 1 3   3  11 o 743.3869 9.331678 47310.66       1184.613 46804.59       1675.354 47816.66       1675.238 738.3917 13.28672 746.3752 13.14369 -7.983521      18.68940 
1 1 1 3   3  12 o 343.6963 4.560177 10092.99       267.6445 9874.080       378.5053 10311.91       378.5078 339.8265 6.522480 347.2892 6.382364 -7.462738      9.125641 
1 1 1 3   3  13 o 430.4345 6.306907 15842.58       463.5808 16340.75       655.9560 15345.49       655.2491 436.8463 8.793143 423.2958 9.064848 13.55048       12.62897 
1 1 1 3   3  14 o 646.1411 8.140398 35751.91       898.2038 36633.46       1270.494 34871.03       1270.010 653.1437 11.39100 637.1477 11.67253 15.99603       16.30960 
1 1 1 3   3  15 o 434.8377 6.041433 16177.75       448.6101 16314.36       557.8262 15927.63       754.7994 436.4304 7.484832 430.6306 10.26419 5.799744       12.70340 
1 1 1 3   3  16 o 243.0412 4.582857 5050.992       190.2033 5658.059       330.4405 4750.199       232.5998 256.9081 7.532058 235.5900 5.781635 21.31805       9.495220 
1 1 1 3   3  17 o 168.5244 3.816985 2428.091       109.8462 2568.183       156.6013 2292.403       154.1205 173.2134 5.294342 163.6317 5.515578 9.581635       7.645368 
1 1 1 3   3  18 o 208.7957 3.854610 3728.303       137.4371 3886.476       195.5683 3573.961       193.1845 213.0177 5.376268 204.2543 5.538589 8.763397       7.718823 
1 1 1 3   3  19 o 119.5975 3.355943 1223.001       68.53912 1185.020       98.91640 1258.076       95.05669 117.6304 4.924325 121.2261 4.591818 -3.595642      6.733036 
1 1 1 3   3  20 o 183.7858 3.691411 2889.632       115.8527 3015.082       165.1436 2768.064       162.5678 187.5592 5.156099 179.6930 5.297872 7.866287       7.392753 
1 1 1 3   3  21 o 49.90436 5.820989 216.6435       48.67421 158.3126       67.98871 277.9747       69.71523 41.92834 9.690042 56.33740 7.427604 -14.40905      12.20927 
1 1 1 3   3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   3  23 o 102.0709 4.838384 893.3286       84.33428 857.1870       148.2897 910.6062       102.5296 99.11835 8.854238 102.7874 5.865589 -3.669022      10.62086 
1 1 1 3   3  24 o 163.4017 4.442112 2288.926       123.9504 2198.656       151.0933 2474.699       216.7525 159.9706 5.530995 169.2761 7.498363 -9.305527      9.317584 
1 1 1 3   3  25 o 223.7873 4.658712 4300.787       178.0341 4566.211       219.3594 3788.504       304.7480 230.3025 5.577707 208.6186 8.554327 21.68388       10.21212 
1 1 1 3   3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   3  27 o 64.19739 5.459646 358.7801       59.28451 252.2138       86.14702 454.6534       81.71071 52.48301 9.976809 71.99303 6.724255 -19.51001      12.03131 
1 1 1 3   3  28 o 63.13930 5.184578 347.3346       55.40688 378.4321       73.70419 306.9233       84.01957 65.50608 6.682408 58.25938 8.712812 7.246704       10.98033 
1 1 1 3   3  29 f 25.17697 9.467186 44.94209       55.26739 -7.254263      85.87700 81.84466       72.20796 24.57861 10.75422 31.12429 10.94962 -6.545685      15.34756 
1 1 1 3   3  30 o 27.49274 10.09973 59.73358       62.21553 64.44228       97.87331 56.54070       80.59451 31.11010 12.34859 28.85675 11.28207 2.253351       16.72641 
1 1 1 3   3  31 f 96.51568 4.741917 811.4132       78.15445 865.7154       113.9447 763.1701       107.3996 98.45424 6.819313 92.39157 6.856096 6.062668       9.670010 
1 1 1 3   3  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   4  0  o 71.69547 2.880315 439.0594       35.26417 399.7226       52.02965 472.4841       47.96061 68.24218 4.489810 74.26694 3.794366 -6.024765      5.878402 
1 1 1 3   4  1  o 144.9846 3.184627 1795.710       78.84651 1866.856       134.3536 1758.336       97.37865 147.7616 5.324585 143.4476 3.975287 4.314026       6.644857 
1 1 1 3   4  2  o 360.1188 6.217543 11096.88       382.3547 11242.52       552.6083 10963.13       529.5884 362.0580 8.937939 357.5774 8.672943 4.480530       12.45418 
1 1 1 3   4  3  o 371.7365 6.712586 11833.54       426.1151 11680.17       602.5861 11986.95       602.6495 368.7632 9.569069 373.6028 9.446105 -4.839630      13.44604 
1 1 1 3   4  4  o 327.6155 7.130051 9196.928       398.8954 8941.566       577.6869 9429.640       551.4723 322.3698 10.49388 331.2244 9.749886 -8.854584      14.32417 
1 1 1 3   4  5  o 212.1696 4.016565 3847.723       145.5258 3771.057       248.2405 3887.866       179.6292 209.8233 6.928146 213.2154 4.933514 -3.392105      8.505220 
1 1 1 3   4  6  o 59.90542 4.288374 308.2914       43.57913 331.1358       73.62827 295.9731       54.06667 61.78484 7.108006 58.57381 5.468610 3.211033       8.968246 
1 1 1 3   4  7  o 65.35011 3.135383 364.7899       34.98959 367.9814       59.57470 363.1092       43.23158 65.38840 5.383130 65.07494 3.908436 0.3134689      6.652365 
1 1 1 3   4  8  o 359.9128 4.951622 11069.14       304.3314 11024.54       430.5193 11113.69       430.2599 359.0418 7.021755 360.4933 6.989270 -1.451477      9.907317 
1 1 1 3   4  9  o 532.1348 7.314489 24215.75       664.6722 24104.96       940.0198 24326.54       939.9572 530.4942 10.37658 532.9346 10.32838 -2.440430      14.64066 
1 1 1 3   4  10 o 503.8352 6.215370 21699.69       534.7581 22378.12       756.5693 21022.36       755.9554 511.3708 8.663850 495.6032 8.932237 15.76758       12.44376 
1 1 1 3   4  11 o 214.5540 3.893832 3932.394       142.6645 4060.151       203.0792 3807.909       200.4623 217.9602 5.456149 211.0772 5.561469 6.883011       7.790988 
1 1 1 3   4  12 f 568.3751 6.554616 27624.86       636.1862 27107.75       899.8317 28141.68       899.5746 562.5867 9.366340 573.2482 9.189514 -10.66156      13.12157 
1 1 1 3   4  13 o 197.6882 3.365155 3338.351       113.6025 3423.293       161.0502 3254.231       160.2690 200.1435 4.712135 195.1352 4.809636 5.008347       6.733261 
1 1 1 3   4  14 f 325.2451 5.717386 9047.031       317.5486 8957.655       392.2678 9216.957       540.8835 323.4907 7.100990 327.7868 9.662962 -4.296143      11.99154 
1 1 1 3   4  15 o 262.4629 4.279358 5888.546       191.7999 5706.873       322.3690 5988.096       238.6320 258.0970 7.314228 264.5924 5.281404 -6.495453      9.021704 
1 1 1 3   4  16 o 101.0827 4.444576 873.7870       76.72010 770.2634       107.5323 981.1169       109.4914 94.57708 6.701506 106.8727 6.024013 -12.29559      9.011044 
1 1 1 3   4  17 o 104.2702 3.252427 929.2739       57.91217 927.1325       81.12698 931.4989       82.69589 104.0977 4.563756 104.3388 4.641261 -0.2411880     6.509161 
1 1 1 3   4  18 o 252.6880 4.064767 5462.146       175.3970 5494.531       247.7771 5429.618       248.3215 253.1997 5.730547 251.6918 5.777546 1.507904       8.137519 
1 1 1 3   4  19 f 111.2136 3.485002 1057.769       66.18548 1108.035       94.70081 1009.774       92.53747 113.7373 4.875834 108.5689 4.991262 5.168419       6.977569 
1 1 1 3   4  20 o 255.3806 4.060222 5582.343       177.0678 5691.910       251.1896 5474.122       249.6410 257.5651 5.711007 252.5728 5.787985 4.992233       8.131198 
1 1 1 3   4  21 o 215.4302 3.746219 3971.828       137.8166 4237.127       195.5533 3710.033       194.2574 222.2798 5.151850 207.9373 5.470706 14.34258       7.514665 
1 1 1 3   4  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   4  23 o 200.2347 3.898591 3433.184       133.3057 3671.366       190.5672 3204.956       186.5427 206.7927 5.396487 193.1592 5.655369 13.63345       7.816987 
1 1 1 3   4  24 o 165.4959 3.769242 2345.915       106.5229 2338.625       151.5559 2353.033       149.7527 164.9701 5.379795 165.4932 5.298981 -0.5231323     7.551251 
1 1 1 3   4  25 o 161.4612 5.362331 2244.595       147.8508 2068.502       205.9869 2431.723       212.3431 154.0764 7.854991 167.4181 7.427349 -13.34167      10.81048 
1 1 1 3   4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   4  27 o 25.53699 9.694950 43.20223       58.29049 33.80995       100.9820 47.89559       71.38394 29.75091 12.27353 27.60342 10.66610 2.147488       16.26054 
1 1 1 3   4  28 o 45.63284 7.679780 187.9714       57.71970 148.8188       81.17394 228.0124       82.08972 39.80008 11.37474 49.55685 10.04420 -9.756775      15.17467 
1 1 1 3   4  29 f 58.79145 6.349936 306.3617       62.73835 381.3521       87.10347 225.5135       90.44148 65.01003 8.015866 48.54554 11.14529 16.46449       13.72850 
1 1 1 3   4  30 o 31.06387 9.716484 89.31030       57.24976 -33.77570      76.11077 249.6954       86.88078 21.20386 9.635569 51.16514 10.30013 -29.96128      14.10450 
1 1 1 3   4  31 o 49.02553 7.741491 221.1313       62.65971 250.3737       89.68695 193.2473       87.57907 50.73069 10.69000 44.07899 11.51030 6.651691       15.70870 
1 1 1 3   5  0  o 399.1590 5.159706 13628.28       351.7003 13165.81       497.4925 14090.33       497.2662 391.9513 7.432800 405.5296 7.180662 -13.57825      10.33482 
1 1 1 3   5  1  o 126.8419 3.065791 1374.608       66.40595 1310.558       95.38783 1434.843       92.50301 123.8047 4.511843 129.5550 4.181188 -5.750320      6.151346 
1 1 1 3   5  2  o 150.0218 3.545378 1923.376       90.82784 1914.109       156.9047 1928.047       111.3881 149.5277 6.144864 150.1707 4.343618 -0.6429138     7.525050 
1 1 1 3   5  3  o 169.7778 3.842518 2463.572       111.4035 2496.204       198.1862 2448.498       134.6983 170.7180 6.798171 169.2179 4.661373 1.500061       8.242786 
1 1 1 3   5  4  o 240.5184 5.383632 4947.904       221.1187 5005.781       312.7921 4890.088       312.6263 241.7157 7.577903 238.8968 7.663254 2.818848       10.77729 
1 1 1 3   5  5  o 368.6241 8.049646 11639.14       506.7134 11222.92       732.0759 12021.94       702.0676 361.3005 11.86549 374.1239 10.98908 -12.82339      16.17250 
1 1 1 3   5  6  f 193.9536 4.124127 3214.069       136.5941 3088.038       236.6580 3277.029       167.2681 189.9791 7.294800 195.8135 5.002287 -5.834412      8.845167 
1 1 1 3   5  7  o 338.5255 6.120111 9796.575       353.7957 8905.187       613.3626 10241.03       433.1083 322.3111 11.14398 346.0296 7.329618 -23.71848      13.33835 
1 1 1 3   5  8  o 247.7717 4.286941 5244.580       181.3849 5534.340       307.6776 5090.232       224.5564 254.4050 7.082202 244.0601 5.387990 10.34489       8.898765 
1 1 1 3   5  9  o 394.8151 5.855725 13323.16       394.7993 13327.36       666.2535 13320.90       490.1161 394.5007 9.889853 394.6712 7.272130 -0.1705017     12.27571 
1 1 1 3   5  10 f 262.5482 3.529804 5887.936       158.2565 6246.684       225.3390 5538.772       222.3087 270.3793 4.880463 254.5888 5.113464 15.79054       7.068694 
1 1 1 3   5  11 o 496.5068 5.284215 21068.92       448.0306 23405.78       635.0183 18752.67       632.2128 523.1133 7.108673 468.1398 7.908349 54.97351       10.63368 
1 1 1 3   5  12 o 525.2294 6.669759 23595.01       598.2202 23610.96       846.5288 23579.10       845.4944 524.9519 9.443224 524.5986 9.438038 0.3533325      13.35107 
1 1 1 3   5  13 o 101.8321 3.223353 885.8337       56.05242 909.5462       73.19804 852.2150       87.15678 103.1694 4.154765 99.71183 5.136063 3.457619       6.606149 
1 1 1 3   5  14 o 486.1571 8.539536 20266.14       708.9456 20472.12       1003.316 20060.75       1001.886 487.5978 12.04964 482.6379 12.15612 4.959869       17.11623 
1 1 1 3   5  15 o 177.6439 3.166327 2696.422       96.05235 2589.057       136.5981 2801.431       135.0915 174.0014 4.597164 181.0105 4.370412 -7.009140      6.343060 
1 1 1 3   5  16 o 359.6436 5.167789 11070.44       317.3797 11114.15       449.0632 11026.81       448.6225 359.9200 7.306334 358.4978 7.328121 1.422272       10.34813 
1 1 1 3   5  17 o 173.5958 3.540079 2576.540       104.9431 2514.273       149.0362 2637.774       147.7955 171.3616 5.093031 175.5352 4.930547 -4.173569      7.088671 
1 1 1 3   5  18 o 169.1621 3.394111 2446.786       98.04626 2472.075       138.9545 2421.712       138.3641 169.9144 4.788952 168.1718 4.818016 1.742599       6.793183 
1 1 1 3   5  19 o 127.6521 3.325888 1393.495       72.49993 1295.348       105.0234 1482.846       100.2068 122.9538 5.001987 131.5993 4.459045 -8.645538      6.700967 
1 1 1 3   5  20 o 190.7686 3.547010 3113.480       115.5504 3233.488       162.9510 2992.102       163.8787 194.2340 4.912809 186.8104 5.137120 7.423645       7.108143 
1 1 1 3   5  21 o 225.2732 13.54985 4483.536       518.8252 4476.168       715.2081 4491.720       753.7689 221.4933 19.09567 221.0560 20.19086 0.4373169      27.79057 
1 1 1 3   5  22 o 101.6983 3.539293 885.0308       61.46560 1005.773       90.81644 782.9709       83.49529 108.3034 4.910442 95.40108 5.144165 12.90227       7.111602 
1 1 1 3   5  23 o 297.6251 4.627485 7595.022       235.1887 7713.419       334.0086 7478.591       331.2231 299.3149 6.534725 294.7060 6.581574 4.608978       9.274683 
1 1 1 3   5  24 o 80.60934 4.299877 558.8881       58.97551 609.4855       85.61585 513.2014       81.35512 83.90669 6.015156 76.91389 6.248107 6.992805       8.673001 
1 1 1 3   5  25 o 114.2571 3.820376 1119.951       74.54032 1203.525       107.0833 1041.386       103.8241 118.1840 5.305924 109.7507 5.557856 8.433334       7.683918 
1 1 1 3   5  26 o 23.60595 9.910551 10.83970       67.53871 124.7612       156.1401 -15.38109      74.90910 41.27992 15.82051 22.69375 9.983805 18.58617       18.70735 
1 1 1 3   5  27 o 80.22540 5.769948 561.1150       78.51913 583.0476       89.24805 485.9912       165.1744 81.57644 6.459488 71.13581 14.09560 10.44063       15.50519 
1 1 1 3   5  28 o 119.4155 5.436511 1238.412       110.8620 1314.333       152.7114 1153.819       161.1977 121.9661 7.366707 113.6981 8.361060 8.268021       11.14342 
1 1 1 3   5  29 o 115.2349 4.069214 1147.528       80.07494 1126.909       112.5440 1168.667       113.9553 113.3436 5.834440 115.5939 5.772950 -2.250305      8.207780 
1 1 1 3   5  30 o 48.78696 8.030893 218.9514       64.57809 275.7791       93.50843 167.1332       89.29185 53.61430 10.58903 41.16753 11.97882 12.44677       15.98811 
1 1 1 3   5  31 o 63.35183 6.113386 358.4473       65.31544 239.6450       88.87758 497.9482       96.30934 49.37646 10.83798 73.83453 7.754300 -24.45807      13.32633 
1 1 1 3   6  0  o 452.6359 6.544185 17539.96       505.8322 16961.30       715.4699 18118.24       715.2397 444.4711 9.426401 459.4619 9.115914 -14.99075      13.11324 
1 1 1 3   6  1  o 486.3565 6.562954 20248.23       545.0747 19819.77       780.0638 20657.04       761.9592 480.5126 9.506559 490.6680 9.093730 -10.15536      13.15563 
1 1 1 3   6  2  o 174.7250 3.848813 2608.723       114.8375 2769.014       189.5180 2515.722       144.3577 179.9004 6.169021 171.5385 4.928064 8.361923       7.895735 
1 1 1 3   6  3  o 260.0471 4.829337 5780.288       214.4576 6128.357       371.3490 5606.109       262.6921 267.4951 8.129513 256.0227 6.008508 11.47241       10.10896 
1 1 1 3   6  4  o 209.0920 4.232258 3735.554       151.1164 4003.432       261.4651 3601.189       185.1769 216.3215 7.078025 205.2566 5.283087 11.06496       8.832296 
1 1 1 3   6  5  o 614.4363 8.964335 32322.45       940.5825 34279.16       1629.108 31344.05       1151.984 631.1870 15.11437 604.6155 11.15745 26.57141       18.78651 
1 1 1 3   6  6  o 213.3339 6.695144 3891.182       243.9056 3703.553       352.5917 4063.353       337.7556 207.9579 9.928755 217.8786 9.077913 -9.920715      13.45320 
1 1 1 3   6  7  f 352.2041 6.818833 10606.15       410.1157 9366.868       710.8330 11224.51       502.1136 330.4409 12.59714 362.2219 8.117557 -31.78098      14.98608 
1 1 1 3   6  8  o 318.5779 5.114090 8672.638       278.2184 9303.916       484.3111 8361.699       339.8996 329.7273 8.601371 312.7460 6.364392 16.98123       10.69996 
1 1 1 3   6  9  o 626.1088 9.738718 33574.15       1041.246 32110.24       1804.370 34305.04       1274.951 610.2888 17.31363 632.4321 11.80532 -22.14331      20.95537 
1 1 1 3   6  10 o 229.9654 4.940960 4519.261       194.0331 4939.931       329.1235 4295.164       240.2185 240.2627 8.021777 224.1326 6.276239 16.13013       10.18529 
1 1 1 3   6  11 o 100.4041 3.962766 861.2702       67.94408 723.6613       102.2928 969.9091       90.88969 91.75105 6.572316 106.5293 4.996243 -14.77825      8.255774 
1 1 1 3   6  12 o 197.7588 4.489311 3342.301       151.6063 3005.420       508.1940 3375.211       158.8391 185.8221 16.17650 198.7220 4.680686 -12.89993      16.84007 
1 1 1 3   6  13 o 50.52260 5.448220 220.8387       46.26108 168.7165       70.02921 261.1955       61.62058 43.49028 9.678720 54.83149 6.721802 -11.34120      11.78390 
1 1 1 3   6  14 o 208.4689 3.367862 3713.603       119.8940 3651.606       171.5574 3772.788       167.6225 206.6336 4.861907 210.0474 4.673187 -3.413757      6.743650 
1 1 1 3   6  15 o 475.2512 6.597178 19357.09       535.4062 19883.98       757.8688 18832.11       756.4905 480.8185 9.230195 467.8389 9.469025 12.97961       13.22342 
1 1 1 3   6  16 o 106.3736 3.286725 967.2207       59.70339 920.2098       86.32634 1010.323       82.65965 103.6866 4.875494 108.6670 4.454448 -4.980377      6.603980 
1 1 1 3   6  17 o 217.0670 4.621840 4033.251       171.3210 4233.002       286.4973 3922.064       213.7485 221.9091 7.560376 213.8916 5.852043 8.017593       9.560632 
1 1 1 3   6  18 o 183.3626 3.544299 2875.653       110.9796 2712.722       157.3319 3037.006       156.5685 177.9198 5.178339 188.2938 4.869299 -10.37401      7.108113 
1 1 1 3   6  19 o 93.64577 3.362547 750.0513       53.77229 827.6607       77.40469 677.6635       74.75549 98.29747 4.611296 88.78710 4.950200 9.510368       6.765244 
1 1 1 3   6  20 o 40.58585 5.153189 143.5038       34.91023 130.2450       53.67930 153.2219       45.95650 38.09717 8.470407 41.69757 6.679558 -3.600399      10.78723 
1 1 1 3   6  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   6  22 f 193.8907 3.732949 3218.337       123.5979 3226.371       176.2240 3210.559       173.3978 193.8688 5.322985 193.4072 5.250119 0.4616241      7.476490 
1 1 1 3   6  23 f 62.62918 4.326267 337.8598       45.98554 343.3741       69.01066 333.4558       61.67297 62.79458 6.531209 61.98434 5.897636 0.8102417      8.799932 
1 1 1 3   6  24 o 102.5348 3.664603 901.0723       64.16531 884.3765       95.50503 914.8091       86.62971 101.1856 5.548368 103.1574 4.917727 -1.971794      7.414070 
1 1 1 3   6  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   6  26 o 116.2329 4.014813 1161.611       79.68864 1202.443       114.5600 1123.331       110.9215 117.8449 5.692729 113.7552 5.728448 4.089684       8.076032 
1 1 1 3   6  27 o 88.96592 4.691307 685.4556       71.02012 797.7535       105.1371 591.2097       96.31675 95.40207 6.492128 81.90501 6.952023 13.49706       9.512012 
1 1 1 3   6  28 o 55.09058 10.38606 284.3600       94.12451 379.3108       134.6731 193.6873       131.6043 62.41901 13.05438 44.66311 14.80258 17.75589       19.73660 
1 1 1 3   6  29 o 23.44609 9.927091 12.38507       68.69537 -14.11334      92.28989 45.30639       102.8686 24.75645 10.97706 30.03170 12.38831 -5.275249      16.55192 
1 1 1 3   6  30 o 66.97561 5.921655 397.7993       67.02911 448.2653       95.94198 349.6794       93.68526 70.00075 8.180376 61.16208 9.259575 8.838665       12.35550 
1 1 1 3   6  31 o 40.31288 10.04755 158.8962       68.92177 231.8641       98.76728 89.63974       96.22273 47.69741 12.10547 32.55092 12.43264 15.14649       17.35260 
1 1 1 3   7  0  o 197.7047 3.726392 3339.174       125.8078 3257.610       178.3563 3419.943       177.4850 195.2195 5.350116 200.0307 5.195926 -4.811218      7.457975 
1 1 1 3   7  1  o 183.8371 3.742117 2887.095       117.4769 2668.376       166.7350 3102.706       165.5462 176.6829 5.526248 190.5365 5.087905 -13.85364      7.511736 
1 1 1 3   7  2  o 452.1754 6.296109 17481.26       486.1621 17532.32       688.1177 17430.37       686.9577 452.5298 8.904585 451.2106 8.915564 1.319183       12.60075 
1 1 1 3   7  3  o 215.3050 4.107354 3960.162       151.0144 4004.916       254.0499 3935.708       187.7940 216.4138 6.874357 214.6072 5.124311 1.806580       8.574109 
1 1 1 3   7  4  o 439.5064 7.186477 16518.75       539.3655 16783.85       934.3209 16386.25       660.5455 442.3457 12.36893 437.5659 8.840103 4.779816       15.20322 
1 1 1 3   7  5  o 126.3441 3.933978 1363.585       84.87679 1286.976       145.8854 1402.787       104.3573 122.4830 7.003908 128.1335 4.769339 -5.650513      8.473566 
1 1 1 3   7  6  o 590.6953 8.402349 29856.21       847.5516 32041.51       1468.463 28764.59       1037.872 610.7442 14.07997 579.4481 10.48884 31.29614       17.55737 
1 1 1 3   7  7  o 112.0497 5.060246 1072.871       96.82426 927.4456       138.4591 1212.046       135.4508 103.8231 7.868019 118.8710 6.700050 -15.04791      10.33423 
1 1 1 3   7  8  o 501.2512 6.904584 21487.06       591.0101 21551.90       1024.696 21454.74       723.4708 501.2044 11.97232 500.6735 8.461834 0.5308838      14.66080 
1 1 1 3   7  9  o 16.34715 7.242469 -14.22072      40.09560 -0.1937170     88.94091 -17.79858      44.91904 26.46081 11.25358 17.13321 7.624513 9.327608       13.59325 
1 1 1 3   7  10 o 211.7299 5.276648 3831.984       190.7842 3586.925       280.9565 4041.675       259.8921 204.6965 8.037607 217.3531 7.002050 -12.65668      10.65982 
1 1 1 3   7  11 o 151.8306 5.361539 1970.986       139.0115 1811.696       471.2423 1986.168       145.4856 143.0554 19.82300 152.4052 5.590081 -9.349854      20.59612 
1 1 1 3   7  12 o 589.6882 8.032222 29800.80       808.8352 28789.95       1365.035 30347.75       1004.088 577.4985 13.84175 594.5071 9.890371 -17.00854      17.01216 
1 1 1 3   7  13 o 169.8891 4.229522 2467.411       122.7040 2332.860       208.9556 2538.229       151.5943 164.9801 7.416870 172.2582 5.153487 -7.278107      9.031522 
1 1 1 3   7  14 o 448.3906 7.171118 17241.71       549.0922 17412.29       927.3678 17149.63       681.3688 448.8015 12.10029 446.6552 8.933218 2.146210       15.04059 
1 1 1 3   7  15 o 121.5158 3.405985 1262.268       70.67686 1166.750       122.1986 1310.283       86.63829 116.5098 6.163811 123.7725 4.099055 -7.262718      7.402352 
1 1 1 3   7  16 o 48.76669 4.311150 205.0783       35.53215 221.7587       56.78016 194.3415       45.55428 50.38436 6.770675 47.27121 5.762527 3.113144       8.890938 
1 1 1 3   7  17 o 150.9859 3.370234 1949.410       86.89574 1821.405       125.5725 2067.030       120.3707 145.8078 5.043266 155.3786 4.536571 -9.570801      6.783436 
1 1 1 3   7  18 o 133.3213 3.485926 1520.401       79.36330 1594.446       116.1698 1455.600       108.6777 136.3999 4.987438 130.3357 4.882869 6.064178       6.979753 
1 1 1 3   7  19 o 41.07602 5.146619 146.9209       35.30792 119.2267       60.07650 161.5345       43.64028 36.43665 9.542179 42.94043 6.124981 -6.503784      11.33881 
1 1 1 3   7  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   7  21 o 58.10485 4.409267 290.9337       43.42406 146.9684       68.43117 387.9845       56.18552 40.34095 9.986812 67.08151 4.939531 -26.74056      11.14161 
1 1 1 3   7  22 o 122.1041 3.464294 1276.088       72.23489 1237.019       105.1983 1310.943       99.36243 120.0478 5.131600 123.6345 4.706310 -3.586761      6.962950 
1 1 1 3   7  23 o 120.4401 3.553539 1242.512       73.08597 1181.970       101.7246 1307.107       105.0752 117.2744 5.079499 123.3404 4.988763 -6.066048      7.119626 
1 1 1 3   7  24 o 74.07633 5.091933 474.7255       64.02041 512.8038       100.2668 448.5168       83.18430 76.35816 7.798998 71.60131 6.888284 4.756851       10.40542 
1 1 1 3   7  25 o 150.8555 3.881817 1954.773       99.99958 1924.271       145.2831 1982.234       137.8510 149.1585 5.703813 151.5120 5.327959 -2.353531      7.805167 
1 1 1 3   7  26 o 20.12613 8.645386 -0.6905255     53.44556 -43.35015      89.68803 22.79937       66.55283 23.09520 10.48144 24.44525 10.01005 -1.350046      14.49350 
1 1 1 3   7  27 o 115.1472 4.327120 1144.290       85.08526 1211.160       132.1763 1096.973       111.1853 117.4569 6.616764 112.1139 5.827546 5.343048       8.817134 
1 1 1 3   7  28 o 45.89680 8.038131 192.9209       60.70409 196.0047       93.22234 190.6507       79.98670 44.84500 11.95526 44.65796 10.64006 0.1870422      16.00434 
1 1 1 3   7  29 o 92.15481 5.019455 742.5892       78.69304 835.0626       124.2328 680.6221       101.6971 96.30698 7.616133 87.31791 6.875930 8.989075       10.26079 
1 1 1 3   7  30 o 45.92149 15.19911 225.8356       138.7666 225.8356       138.7666 0.000000       0.000000 45.92149 15.19911 ?        ?        0.000000       15.19911 
1 1 1 3   8  0  o 546.9364 7.633348 25586.55       712.9414 24968.20       1019.556 26178.21       997.3146 539.7643 11.06127 552.7780 10.56524 -13.01367      15.29628 
1 1 1 3   8  1  o 399.5506 6.017917 13645.50       410.6010 13230.22       580.8755 14060.22       580.4796 393.1951 8.651134 405.3686 8.385615 -12.17355      12.04826 
1 1 1 3   8  2  o 632.9492 8.614212 34283.66       931.0786 33501.83       1316.992 35064.89       1316.496 624.9515 12.34056 639.4312 12.05657 -14.47968      17.25255 
1 1 1 3   8  3  o 752.2825 9.911206 48466.76       1273.237 48226.08       1820.690 48697.12       1781.218 749.2153 14.23074 752.9875 13.85247 -3.772278      19.85963 
1 1 1 3   8  4  o 294.8126 4.685846 7426.162       235.9043 7614.114       397.1536 7323.696       293.2404 298.3377 7.795579 292.7142 5.866487 5.623566       9.756369 
1 1 1 3   8  5  o 103.0701 4.063673 907.5508       71.52428 988.3871       109.5980 847.5834       94.39686 107.3611 6.002003 99.42648 5.582312 7.934631       8.196722 
1 1 1 3   8  6  o 437.5198 6.677176 16369.02       498.8759 16290.63       864.1359 16408.21       610.9753 435.8063 11.61145 437.8790 8.170857 -2.072723      14.19820 
1 1 1 3   8  7  o 320.0149 5.284473 8752.840       288.7845 9851.581       499.4056 8200.877       353.9654 339.2239 8.621148 309.6664 6.693678 29.55753       10.91465 
1 1 1 3   8  8  o 123.2680 3.260431 1297.932       68.63209 1265.955       122.4515 1312.579       82.87244 121.6830 5.892943 123.9502 3.915263 -2.267197      7.075031 
1 1 1 3   8  9  o 206.0830 3.809686 3628.547       134.0705 3578.389       235.0188 3652.744       163.2378 204.5159 6.729359 206.7379 4.623795 -2.222046      8.164786 
1 1 1 3   8  10 o 132.9082 3.563226 1509.249       80.87177 1630.600       120.9242 1411.052       108.7776 138.0995 5.127657 128.4722 4.958249 9.627289       7.132819 
1 1 1 3   8  11 o 205.2279 3.965536 3599.672       138.9761 3656.162       243.9037 3572.513       169.1151 206.6293 6.912333 204.4037 4.844976 2.225540       8.441216 
1 1 1 3   8  12 o 122.9936 3.618107 1292.858       75.99165 1414.642       137.4664 1239.265       91.19223 128.5339 6.262920 120.3885 4.435789 8.145363       7.674659 
1 1 1 3   8  13 o 233.9078 4.402080 4679.500       175.8347 4658.820       307.2973 4689.567       214.4022 232.9795 7.723945 234.0629 5.364073 -1.083450      9.403861 
1 1 1 3   8  14 o 177.6910 3.844547 2700.027       116.6575 2909.367       206.0233 2601.233       141.5326 184.1828 6.550365 174.3393 4.754003 9.843475       8.093690 
1 1 1 3   8  15 f 115.4919 3.552138 1140.555       70.05566 1095.142       121.8335 1162.987       85.62740 112.8103 6.350181 116.5820 4.301099 -3.771721      7.669697 
1 1 1 3   8  16 o 73.64688 3.886025 465.3243       48.69919 513.9661       88.22559 444.0094       58.40252 77.05880 6.773336 71.84466 4.787728 5.214142       8.294602 
1 1 1 3   8  17 o 160.0330 3.600916 2190.911       98.40662 2246.120       168.5713 2162.370       121.2024 161.7465 6.103049 158.9051 4.466541 2.841370       7.562882 
1 1 1 3   8  18 o 76.81581 3.975268 506.4473       51.96720 452.3504       98.69449 527.1992       61.12735 71.95058 8.177896 78.31156 4.591027 -6.360977      9.378461 
1 1 1 3   8  19 o 126.4060 20.80992 1496.002       433.5648 1829.427       539.3826 887.2247       728.8312 138.3890 23.67507 94.86779 34.61069 43.52119       41.93339 
1 1 1 3   8  20 o 108.2212 3.565646 1002.257       65.89502 936.1422       100.5452 1052.035       87.24329 104.2595 5.668640 110.7920 4.611283 -6.532471      7.307353 
1 1 1 3   8  21 o 216.9407 3.901035 4030.403       144.5183 4204.625       207.4349 3866.079       201.4556 221.2572 5.490128 212.1466 5.560853 9.110611       7.814384 
1 1 1 3   8  22 o 183.7700 3.752713 2893.160       117.7665 2788.126       171.2323 2987.436       162.2265 180.0426 5.569401 186.4781 5.094387 -6.435562      7.547914 
1 1 1 3   8  23 f 104.7909 4.155618 942.5834       74.36375 935.5247       115.4513 947.5884       97.21642 103.7948 6.547153 104.7310 5.454653 -0.9361343     8.521646 
1 1 1 3   8  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   8  25 o 96.84169 4.464590 808.0054       73.83221 672.4273       104.8464 941.3725       103.9879 87.48611 7.078650 104.0293 5.877687 -16.54321      9.200787 
1 1 1 3   8  26 o 137.7123 4.172389 1634.524       98.12045 1583.005       141.7013 1681.983       136.0007 134.7860 6.156404 139.1254 5.724440 -4.339386      8.406576 
1 1 1 3   8  27 o 85.53265 4.950532 636.7882       71.99872 685.8428       111.3203 601.5114       94.40169 87.72012 7.503659 82.44262 6.765046 5.277496       10.10301 
1 1 1 3   8  28 o 65.36198 6.129064 378.7495       67.61135 419.5804       106.3938 351.0908       87.56636 67.16675 9.544476 61.87368 8.513084 5.293068       12.78943 
1 1 1 3   8  29 o 98.54624 4.863189 846.9734       81.83953 948.9852       137.0563 790.4448       102.0253 102.3108 7.906031 94.30362 6.372854 8.007164       10.15473 
1 1 1 3   8  30 o 58.79984 7.398025 316.2696       72.63930 254.1820       124.0570 348.6617       89.60630 48.69101 14.10554 60.93624 8.871537 -12.24523      16.66345 
1 1 1 3   9  0  o 174.5616 3.519443 2602.837       104.9118 2668.375       149.2037 2538.748       147.5457 176.7103 4.944424 172.3627 5.012809 4.347595       7.040993 
1 1 1 3   9  1  o 307.7335 4.514303 8091.266       237.2287 7991.178       332.2342 8195.380       338.8477 305.7217 6.363793 309.6002 6.409164 -3.878448      9.031902 
1 1 1 3   9  2  o 440.9172 6.568229 16623.38       494.5466 15240.77       708.8796 17934.39       690.2802 421.8006 9.841548 457.7045 8.831577 -35.90393      13.22319 
1 1 1 3   9  3  o 241.8305 4.479624 4996.846       184.9927 5207.202       310.9878 4881.648       230.1382 246.7211 7.381339 238.9780 5.639347 7.743134       9.289047 
1 1 1 3   9  4  o 178.0743 2.773018 2708.286       84.32491 2380.236       140.6373 2892.421       105.3658 166.8914 4.934744 184.0166 3.353056 -17.12523      5.966128 
1 1 1 3   9  5  o 119.8014 2.995080 1225.865       61.27343 1329.279       111.6844 1181.334       73.28785 124.7087 5.244379 117.5956 3.649546 7.113052       6.389265 
1 1 1 3   9  6  o 537.9093 7.153269 24756.29       657.0759 25010.17       1138.651 24629.54       804.5519 539.5586 12.35805 536.2497 8.785877 3.308899       15.16288 
1 1 1 3   9  7  o 413.4747 7.195171 14630.84       508.0330 15638.96       735.3348 13710.18       702.7095 427.0095 10.08430 399.7737 10.29342 27.23575       14.40998 
1 1 1 3   9  8  o 306.7985 7.551839 8060.082       395.6470 7080.859       1479.475 8135.505       410.6015 279.4727 31.55276 308.2005 7.801628 -28.72775      32.50296 
1 1 1 3   9  9  o 105.1470 3.540130 944.6827       63.56502 904.0792       112.9864 963.4852       76.88671 102.5703 6.484009 106.1713 4.240747 -3.600952      7.747664 
1 1 1 3   9  10 f 246.0114 4.048916 5173.282       170.0967 5688.266       342.7780 5005.042       195.9208 257.5781 7.792955 241.9279 4.742339 15.65015       9.122496 
1 1 1 3   9  11 o 292.8042 4.329922 7331.257       216.5007 7120.463       434.8928 7400.711       249.6326 287.8795 8.846461 294.1178 4.970248 -6.238342      10.14708 
1 1 1 3   9  12 o 146.6867 3.406152 1839.196       85.32115 1754.453       159.5021 1873.164       100.9835 143.0586 6.529058 148.0047 3.995518 -4.946060      7.654591 
1 1 1 3   9  13 o 204.7208 4.119198 3585.035       144.0047 3796.226       255.4382 3486.644       174.3521 210.2825 7.113458 201.7979 5.059513 8.484604       8.729259 
1 1 1 3   9  14 o 143.4332 3.697367 1759.483       90.56162 1875.289       165.5544 1710.034       108.1825 147.8180 6.558606 141.3488 4.481905 6.469131       7.943726 
1 1 1 3   9  15 o 141.6071 3.601332 1715.179       87.08635 1734.812       156.4829 1706.370       104.8182 142.1389 6.446914 141.1860 4.347537 0.9528961      7.775846 
1 1 1 3   9  16 o 95.10719 3.747019 773.9544       60.85569 814.9268       119.4947 759.6064       70.71278 97.04533 7.263287 94.18408 4.396615 2.861244       8.490321 
1 1 1 3   9  17 o 63.07125 4.425852 342.3947       47.36648 278.9319       101.4108 360.1029       53.56881 55.67317 11.05672 64.63409 4.889601 -8.960926      12.08963 
1 1 1 3   9  18 o 51.03660 18.76853 198.1854       214.9323 0.000000       0.000000 198.1854       214.9323 ?        ?        51.03660 18.76853 0.000000       18.76853 
1 1 1 3   9  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   9  20 o 56.02803 4.772669 271.1510       45.22820 346.8340       106.0847 254.3384       50.00006 62.31113 10.33173 54.14693 5.483073 8.164196       11.69652 
1 1 1 3   9  21 f 63.46105 4.943805 347.8556       53.15329 581.4065       115.0169 284.4310       59.93764 81.45225 8.389082 57.13017 6.245464 24.32208       10.45861 
1 1 1 3   9  22 o 19.88713 8.292695 7.928858       46.81081 -20.75471      98.26911 16.34790       53.23923 25.97044 11.42996 21.93886 8.964818 4.031584       14.52625 
1 1 1 3   9  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   9  24 o 29.97816 10.11316 75.97812       61.39606 83.38100       99.57698 71.43784       77.98296 33.79937 12.70801 30.78326 11.30752 3.016113       17.01040 
1 1 1 3   9  25 o 31.07969 10.23553 84.54121       62.96052 165.0562       94.94893 21.35643       84.11200 41.83504 12.40289 26.63340 11.11181 15.20164       16.65245 
1 1 1 3   9  26 o 44.39309 8.842217 181.8418       64.67657 141.0476       99.16015 212.0462       85.32424 38.96184 12.84598 47.31663 10.79805 -8.354786      16.78145 
1 1 1 3   9  27 o 40.22789 9.384576 152.7490       63.28720 131.0589       92.73531 171.6570       86.58420 37.29763 12.42890 41.98050 11.66113 -4.682869      17.04288 
1 1 1 3   9  28 o 68.53240 5.810583 415.4277       67.36091 320.1604       106.1469 479.6619       87.16024 57.44397 11.22330 73.08694 7.071978 -15.64298      13.26557 
1 1 1 3   9  29 o 37.02100 9.781765 133.0367       62.76794 -14.76611      111.9858 200.7400       75.79250 26.64347 11.93414 45.46844 10.03062 -18.82496      15.58964 
1 1 1 3   10 0  o 89.32447 2.792783 681.4680       42.60000 696.9564       62.98738 668.4106       57.83309 90.31817 4.083914 88.45271 3.828806 1.865463       5.598045 
1 1 1 3   10 1  o 86.17854 3.415940 634.4122       50.27029 646.1697       72.20569 623.3527       70.03007 86.81472 4.890447 85.26799 4.829299 1.546730       6.873034 
1 1 1 3   10 2  o 329.4031 4.819756 9273.413       271.1157 9153.875       391.4066 9383.664       375.8945 327.1003 7.007214 331.2138 6.645929 -4.113495      9.657609 
1 1 1 3   10 3  f 396.3012 5.341212 13426.12       361.4658 13505.26       508.2317 13345.10       514.2001 397.2343 7.492264 394.8547 7.625932 2.379547       10.69060 
1 1 1 3   10 4  o 147.6655 3.318950 1862.721       83.69154 1961.232       124.1807 1780.740       113.2838 151.4784 4.800668 144.3462 4.595795 7.132156       6.645882 
1 1 1 3   10 5  o 242.7789 4.199526 5037.038       174.1058 5149.514       294.6155 4976.678       215.8243 245.2803 7.033816 241.2610 5.238552 4.019287       8.770233 
1 1 1 3   10 6  o 193.2164 4.656289 3191.400       153.6335 3533.290       169.4877 1616.156       363.8051 203.2906 4.882240 135.7225 16.00474 67.56807       16.73285 
1 1 1 3   10 7  o 34.24659 6.577398 103.7834       37.06753 -50.80743      147.8466 114.1526       38.29050 31.30729 13.88708 35.97306 6.471147 -4.665770      15.32080 
1 1 1 3   10 8  o 39.67641 6.482825 138.2872       42.40644 179.9356       77.43501 120.4456       50.68209 44.85580 10.32337 36.74976 8.275206 8.106037       13.23069 
1 1 1 3   10 9  o 465.9609 7.205323 18614.71       573.3303 18544.78       1008.058 18648.15       697.0478 463.0656 12.74797 465.9222 8.760870 -2.856567      15.46814 
1 1 1 3   10 10 o 87.79163 4.135953 659.1068       62.00557 592.9944       114.3469 686.6439       73.79755 82.68414 8.206843 89.45004 4.849369 -6.765907      9.532505 
1 1 1 3   10 11 o 257.6553 3.986857 5677.655       175.4170 6120.612       351.9348 5531.229       202.3436 266.9107 7.721368 254.2340 4.660728 12.67670       9.018975 
1 1 1 3   10 12 o 149.2408 2.994352 1903.687       76.31190 2081.615       154.9035 1846.666       87.69141 155.8361 5.820914 146.9613 3.494236 8.874847       6.789163 
1 1 1 3   10 13 o 192.5385 3.307825 3169.650       108.7582 3525.986       219.3133 3053.442       125.2429 202.6972 6.336003 188.9265 3.882027 13.77072       7.430685 
1 1 1 3   10 14 o 20.07569 5.716729 35.40978       20.54198 -61.36926      65.22873 46.06466       21.64325 18.26504 8.519053 22.72964 5.610103 -4.464603      10.20037 
1 1 1 3   10 15 o 98.96024 3.468189 837.7167       58.60915 762.2355       111.4648 866.5598       68.90305 93.87504 7.003635 100.6181 4.010148 -6.743073      8.070452 
1 1 1 3   10 16 o 23.59021 6.733563 49.02164       28.46450 120.9439       84.18919 39.73887       30.24568 37.39745 11.79600 21.84556 7.089437 15.55189       13.76248 
1 1 1 3   10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   10 18 o 54.35803 6.500449 257.7471       59.14356 0.000000       0.000000 257.7471       59.14356 ?        ?        54.35803 6.500449 0.000000       6.500449 
1 1 1 3   10 19 o 112.4638 4.053195 1083.432       77.84169 1140.930       147.1125 1061.074       91.73598 114.7128 7.552164 111.2220 4.830000 3.490768       8.964602 
1 1 1 3   10 20 o 42.09084 7.063176 157.0264       48.96951 450.0707       127.9752 106.7587       53.00338 70.87894 10.92418 34.41005 8.939416 36.46889       14.11563 
1 1 1 3   10 21 o 49.91536 6.973605 219.7171       57.81877 202.9836       129.9027 223.8512       64.56703 47.15993 14.61755 50.20478 7.783137 -3.044853      16.56049 
1 1 1 3   10 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   10 23 o 57.77266 7.218191 295.4487       69.65791 383.3282       131.5124 261.1803       82.12391 64.00305 12.48106 53.64463 9.301984 10.35843       15.56611 
1 1 1 3   10 24 o 108.9435 4.895176 1025.697       91.06922 1020.108       162.9842 1028.234       109.8108 106.7897 9.021901 108.6169 5.942857 -1.827225      10.80334 
1 1 1 3   10 25 o 48.72828 7.619192 214.1915       61.32403 187.0533       105.4420 228.0629       75.38462 44.04335 13.07317 49.75129 9.212399 -5.707943      15.99300 
1 1 1 3   10 26 o 26.74930 9.579656 58.01443       55.50595 12.11037       106.9883 74.92014       64.92733 28.28208 12.19115 29.63411 10.38539 -1.352030      16.01501 
1 1 1 3   10 27 o 46.37950 8.622905 200.4192       65.78012 335.7724       121.7370 144.6026       78.17538 58.02588 12.64311 38.56118 11.20493 19.46470       16.89374 
1 1 1 3   10 28 o 81.05566 5.667044 581.1230       77.94719 751.0143       141.2585 506.7459       93.46487 89.65760 9.364449 74.74385 7.420791 14.91375       11.94827 
1 1 1 3   11 0  f 160.9563 3.479774 2213.469       95.64474 2170.032       137.6421 2254.026       133.0014 159.3110 5.059456 162.3763 4.796580 -3.065323      6.971748 
1 1 1 3   11 1  o 464.6250 5.627913 18464.74       446.5313 18616.92       632.5165 18313.54       630.4697 466.1278 7.946300 462.3061 7.986063 3.821747       11.26592 
1 1 1 3   11 2  o 339.5876 4.333666 9857.073       251.3097 9974.132       357.8914 9743.211       352.9709 341.4114 6.138628 337.4376 6.125527 3.973755       8.672071 
1 1 1 3   11 3  o 94.07390 3.364141 756.1533       54.04372 698.5030       86.71633 792.7657       69.10579 90.18309 5.659537 96.30586 4.202036 -6.122772      7.048934 
1 1 1 3   11 4  o 297.2408 4.916327 7555.646       249.5463 7461.701       427.5503 7604.185       307.3251 294.9283 8.489242 298.0750 6.037686 -3.146729      10.41734 
1 1 1 3   11 5  o 168.2181 4.275296 2419.214       122.8120 2297.982       526.8193 2426.181       126.2916 160.8148 19.58846 168.4543 4.390262 -7.639481      20.07442 
1 1 1 3   11 6  o 152.0602 3.113369 1975.730       80.84404 2049.103       144.6502 1942.401       97.49178 154.7370 5.474229 150.7451 3.787241 3.991913       6.656604 
1 1 1 3   11 7  o 59.83745 4.437799 307.9102       45.02327 283.5417       90.68246 315.8824       51.86771 56.61584 9.730272 60.54734 5.062957 -3.931499      10.96867 
1 1 1 3   11 8  o 281.8096 4.336063 6793.025       208.6668 7159.872       363.4870 6612.703       254.8426 288.8302 7.369608 277.9112 5.369874 10.91901       9.118480 
1 1 1 3   11 9  o 194.1783 4.142087 3225.253       137.3479 3174.817       239.4020 3249.999       167.6902 192.2876 7.290787 194.8367 5.040052 -2.549072      8.863278 
1 1 1 3   11 10 o 270.3497 4.743542 6256.772       218.9932 6571.324       387.3583 6109.006       265.4943 276.3491 8.208296 266.9628 5.823746 9.386230       10.06440 
1 1 1 3   11 11 f 68.21985 3.280691 397.9035       38.21889 478.8166       85.67016 377.7990       42.70387 74.36213 6.822535 66.35188 3.784561 8.010246       7.801916 
1 1 1 3   11 12 o 89.69500 2.910541 687.7317       44.58040 706.3884       97.21857 682.7641       50.16563 90.48759 6.331458 89.35600 3.287613 1.131592       7.134126 
1 1 1 3   11 13 f 196.3975 4.118083 3301.782       138.1125 3322.255       241.8892 3291.879       168.2313 196.4910 7.208949 195.9809 5.026794 0.5101318      8.788492 
1 1 1 3   11 14 o 94.13375 4.835681 761.4301       77.47048 669.8494       107.6009 859.9974       111.6298 87.91294 7.231513 99.79822 6.587262 -11.88528      9.781962 
1 1 1 3   11 15 o 35.49959 16.13257 -110.7593      213.3806 -172.6083      238.4515 137.8373       478.0589 35.82247 16.56307 62.25446 26.26371 -26.43198      31.05024 
1 1 1 3   11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11 17 o 85.79048 5.516426 634.5369       80.38780 677.0117       125.4702 604.9609       104.6992 88.07607 8.445766 83.42781 7.426706 4.648254       11.24664 
1 1 1 3   11 18 o 118.4802 5.464266 1205.770       110.5553 1082.194       156.1178 1330.079       156.5809 111.5262 8.256008 123.9088 7.434422 -12.38252      11.11001 
1 1 1 3   11 19 o 84.23981 6.362113 615.1491       90.84599 654.7401       130.7419 578.1889       126.3233 86.29476 9.004774 80.95716 9.306763 5.337601       12.94997 
1 1 1 3   11 20 o 162.1221 5.403111 2263.732       149.5851 2279.827       212.8784 2248.033       210.2367 161.9792 7.696097 160.8612 7.653415 1.117981       10.85379 
1 1 1 3   11 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11 22 o 71.92544 6.919338 454.5771       83.93760 359.9500       120.2169 544.5912       117.2501 62.26317 11.73709 78.08627 8.954880 -15.82310      14.76310 
1 1 1 3   11 23 f 56.45975 5.577044 279.0061       53.06778 195.0373       110.5876 304.1269       60.48720 45.22331 13.38036 58.83057 6.109981 -13.60727      14.70938 
1 1 1 3   11 24 o 25.37407 8.735369 53.31033       45.83687 -87.73707      99.34230 91.46018       51.66520 22.14988 10.38989 31.56132 9.091239 -9.411436      13.80581 
1 1 1 3   11 25 o 70.70980 5.158508 437.2653       61.85845 665.4750       124.4716 362.4166       71.28451 85.65154 8.627532 63.83372 6.636494 21.81781       10.88473 
1 1 1 3   11 26 o 13.04118 6.384997 -88.47112      47.78684 164.9321       111.0885 -146.0094      52.93484 40.86431 13.60265 12.00995 6.019216 28.85435       14.87491 
1 1 1 3   11 27 o 45.83946 8.519608 196.7549       64.23522 292.1686       150.3757 175.4590       71.04301 51.68293 15.67411 42.61647 9.943814 9.066460       18.56225 
1 1 1 3   11 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   12 0  o 96.69462 3.464246 799.0708       57.20222 839.9832       82.74995 761.6298       79.16163 99.09285 4.890165 94.22793 4.936811 4.864922       6.948800 
1 1 1 3   12 1  o 254.0668 3.903702 5518.221       169.3661 5483.099       241.1349 5552.417       237.9369 253.0957 5.579217 254.7028 5.470489 -1.607056      7.813700 
1 1 1 3   12 2  o 238.4578 3.861008 4861.097       157.2223 4856.060       224.2661 4865.964       220.4742 238.1807 5.513853 238.4342 5.414861 -0.2535095     7.728085 
1 1 1 3   12 3  o 38.57169 8.850303 132.9827       57.05757 114.8620       63.65466 207.0619       128.7039 35.99378 9.998665 48.48523 14.45524 -12.49144      17.57633 
1 1 1 3   12 4  o 165.0448 3.931644 2329.154       110.8097 2148.318       206.7067 2402.078       131.2644 158.1925 7.651854 167.5652 4.587342 -9.372635      8.921579 
1 1 1 3   12 5  o 109.7834 3.470694 1030.303       65.06610 890.4536       97.79636 1141.374       87.15498 101.8053 5.647511 115.5066 4.418589 -13.70128      7.170656 
1 1 1 3   12 6  o 133.6599 3.649000 1527.536       83.28696 1475.231       141.1487 1555.475       103.1602 131.1672 6.301585 134.8282 4.480533 -3.660965      7.732085 
1 1 1 3   12 7  o 51.78942 4.562249 231.3208       39.93596 265.5025       76.31767 218.4314       46.86454 54.92701 8.403741 50.18643 5.561873 4.740582       10.07756 
1 1 1 3   12 8  o 131.0287 3.785910 1468.449       84.71080 1570.927       148.8231 1419.333       103.0299 135.3017 6.441180 128.7595 4.685783 6.542160       7.965260 
1 1 1 3   12 9  o 146.1566 3.745199 1827.255       93.47494 1943.126       165.2232 1772.709       113.3611 150.4532 6.430838 143.8909 4.613479 6.562317       7.914535 
1 1 1 3   12 10 o 215.2382 4.343624 3966.113       159.6517 4142.695       285.9385 3886.129       192.4418 219.3705 7.632951 212.9199 5.292748 6.450577       9.288441 
1 1 1 3   12 11 o 173.4176 3.809276 2573.401       112.8074 2672.032       202.2605 2528.867       135.9093 176.3042 6.718102 171.8209 4.632030 4.483292       8.160183 
1 1 1 3   12 12 o 131.3633 3.003171 1475.532       67.36835 1659.797       145.6909 1425.417       75.97921 139.0052 6.137609 129.0835 3.446847 9.921722       7.039247 
1 1 1 3   12 13 o 102.9594 4.648554 908.4595       81.73085 1014.562       117.6187 809.3909       113.6531 108.4461 6.379366 96.72511 6.926671 11.72097       9.416744 
1 1 1 3   12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   12 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   12 16 o 153.0648 5.037937 2010.379       131.6831 2077.294       189.1958 1947.503       183.3957 155.2048 7.138460 150.2763 7.146557 4.928513       10.10103 
1 1 1 3   12 17 o 92.34013 6.121775 736.9582       95.98421 678.5928       137.4777 792.4667       134.0707 87.88361 9.301960 95.29575 8.322189 -7.412140      12.48140 
1 1 1 3   12 18 o 176.9286 5.592713 2694.120       168.9751 2685.495       245.5145 2701.883       232.9166 175.8563 8.175554 176.5504 7.725556 -0.6941223     11.24828 
1 1 1 3   12 19 o 33.08257 10.96525 93.25618       72.21530 -52.03069      104.5920 225.6147       99.83004 25.02660 11.34259 49.35099 11.96888 -24.32438      16.48964 
1 1 1 3   12 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   12 21 o 39.50182 10.56345 144.6174       72.63870 173.3127       104.3525 117.6433       101.1744 43.10125 13.05384 37.17818 12.96782 5.923077       18.40019 
1 1 1 3   12 22 f 51.08696 8.982265 238.0778       75.50018 159.0965       108.3180 312.7091       105.2930 41.40371 13.41429 57.90528 11.05146 -16.50158      17.38039 
1 1 1 3   12 23 o 134.0014 5.484414 1560.816       125.4994 1621.017       180.9889 1505.063       174.1731 135.0910 7.879753 130.1593 7.873224 4.931717       11.13904 
1 1 1 3   12 24 o 137.9252 5.559989 1660.771       130.9543 1723.030       191.1060 1605.659       179.8048 138.5777 8.111044 133.9289 7.896796 4.648773       11.32027 
1 1 1 3   12 25 o 49.32761 10.61793 234.5419       86.79202 67.64537       125.6561 386.8087       120.0225 33.39618 13.72406 63.12344 11.56051 -29.72726      17.94422 
1 1 1 3   12 26 o 30.28977 11.76994 69.01269       87.30257 27.90267       120.1774 114.9495       127.0369 30.08009 12.94360 36.57524 14.20196 -6.495155      19.21542 
1 1 1 3   12 27 o 33.33085 12.12501 102.1639       89.35506 48.89765       123.9799 159.7399       128.8978 31.33103 13.30484 39.70884 14.54486 -8.377808      19.71223 
1 1 1 3   13 0  o 301.2507 4.103766 7763.169       211.1119 7669.995       300.6381 7853.808       296.5190 299.1426 5.885235 302.7350 5.735721 -3.592377      8.217937 
1 1 1 3   13 1  o 39.99605 7.458427 141.8207       49.06690 172.4810       66.92484 106.1842       72.15173 43.92917 9.215465 35.10672 10.89609 8.822453       14.27058 
1 1 1 3   13 2  o 197.2608 3.943694 3328.337       132.8452 3229.025       167.8315 3494.945       217.3803 194.1837 5.061263 201.8580 6.306266 -7.674347      8.086123 
1 1 1 3   13 3  f 112.2378 3.665502 1077.302       70.25459 1037.367       106.9946 1107.570       93.14827 109.8657 5.722722 113.7397 4.795799 -3.873985      7.466541 
1 1 1 3   13 4  o 176.1176 3.466859 2652.240       104.2655 2570.420       154.1845 2721.184       141.5338 173.2202 5.212431 178.2879 4.648752 -5.067795      6.984292 
1 1 1 3   13 5  o 129.3699 3.056010 1430.707       67.51341 1530.149       99.52380 1345.936       91.88931 133.7090 4.358776 125.4071 4.290828 8.301910       6.116382 
1 1 1 3   13 6  o 176.9693 4.204745 2680.349       127.0690 2656.287       221.9340 2692.084       154.9871 175.7406 7.395199 177.2555 5.120283 -1.514923      8.994791 
1 1 1 3   13 7  o 204.7567 4.284679 3589.030       149.8160 3507.504       261.5316 3628.848       182.7768 201.8589 7.587074 205.7628 5.201784 -3.903900      9.199035 
1 1 1 3   13 8  o 103.7770 3.541422 921.2563       62.75966 1071.502       112.4240 853.2381       75.64332 111.5795 5.921476 99.81972 4.437643 11.75976       7.399767 
1 1 1 3   13 9  o 148.2637 3.674118 1880.883       93.02289 1940.954       170.8965 1855.592       110.8899 150.2496 6.660674 147.1947 4.411618 3.054825       7.989177 
1 1 1 3   13 10 o 28.16400 6.509191 70.91446       30.67803 107.9550       80.86819 64.68774       33.15649 35.68974 11.59278 26.93245 7.106161 8.757286       13.59743 
1 1 1 3   13 11 o 67.54895 4.134664 392.1991       47.46407 519.1405       95.16936 350.1705       54.76060 77.28484 7.297462 63.69845 5.076428 13.58639       8.889493 
1 1 1 3   13 12 o 132.9508 19.08753 1633.825       420.9241 1774.708       545.5116 1426.516       661.7349 135.5560 24.46611 116.5717 32.18419 18.98430       40.42787 
1 1 1 3   13 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   13 14 o 140.3200 4.981973 1689.204       119.3776 1717.620       171.9282 1662.750       165.8848 140.9610 7.166028 138.7184 7.025699 2.242584       10.03556 
1 1 1 3   13 15 o 221.8836 5.781271 4232.411       219.0536 3967.333       309.5538 4498.293       310.0240 213.9894 8.471142 228.0526 7.960830 -14.06317      11.62476 
1 1 1 3   13 16 o 169.2440 5.434100 2462.779       157.0517 2421.640       222.9187 2503.322       221.2996 167.2077 7.807070 170.0616 7.620309 -2.853806      10.90960 
1 1 1 3   13 17 o 60.70581 8.006001 325.6017       80.96943 228.0847       116.2857 417.3757       112.8095 49.57663 13.41119 68.30263 9.965209 -18.72600      16.70824 
1 1 1 3   13 18 o 126.7144 5.713964 1386.551       123.6418 1328.851       184.1237 1433.939       166.8600 122.8011 8.839344 128.0729 7.664657 -5.271774      11.69961 
1 1 1 3   13 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   13 20 o 102.3135 5.770309 910.4099       100.4056 879.3732       143.0054 940.5845       141.0056 99.49721 8.498167 103.1157 8.072168 -3.618492      11.72087 
1 1 1 3   13 21 o 89.24090 6.632871 699.6946       100.3580 703.1422       138.9800 695.9382       145.0712 88.25552 9.364723 87.53690 9.877553 0.7186127      13.61118 
1 1 1 3   13 22 o 118.7875 5.863029 1230.680       118.9309 1357.902       183.1844 1137.979       156.3682 122.9113 8.785510 112.8589 8.168777 10.05237       11.99642 
1 1 1 3   13 23 o 22.61526 10.04139 -16.21524      77.48388 -138.8114      140.6507 37.20258       92.84244 25.15270 11.96635 28.48984 11.76230 -3.337132      16.77931 
1 1 1 3   13 24 o 52.24324 9.613203 257.7035       82.60284 245.3295       127.4465 266.6671       108.4705 48.58619 14.36095 51.64625 12.44568 -3.060059      19.00347 
1 1 1 3   13 25 o 48.60577 10.88691 231.7007       88.11897 254.2023       127.9675 211.4093       121.5204 48.96300 14.36706 44.94034 14.17167 4.022659       20.18040 
1 1 1 3   13 26 f 41.83796 12.14844 179.3477       91.92444 94.64250       127.4029 271.3322       132.7644 34.59060 13.96584 49.78881 14.64084 -15.19820      20.23361 
1 1 1 3   14 0  o 114.6264 4.416698 1124.960       86.45389 1152.212       111.0998 1083.125       137.6521 115.9086 5.613008 111.9878 7.236678 3.920799       9.158350 
1 1 1 3   14 1  o 85.76023 4.448442 631.4337       64.92347 589.8206       117.0373 649.9308       78.02982 82.27538 8.450172 86.91460 5.282385 -4.639214      9.965390 
1 1 1 3   14 2  o 100.8996 3.850895 871.1348       66.35188 746.7245       97.58356 978.1128       90.48900 93.05895 6.175763 106.8401 4.959749 -13.78112      7.920805 
1 1 1 3   14 3  o 122.3593 3.558488 1280.733       74.35401 1405.891       113.6019 1186.934       98.34539 128.0634 5.194677 117.6955 4.893193 10.36789       7.136386 
1 1 1 3   14 4  o 28.60384 7.543714 72.98827       37.37638 69.08325       55.53616 76.22148       50.53365 28.97435 9.616534 29.67565 9.103721 -0.7012978     13.24219 
1 1 1 3   14 5  o 73.31955 3.798914 461.2680       47.40118 383.7296       79.45376 504.1155       59.06341 66.40361 7.117764 76.58145 4.536624 -10.17784      8.440587 
1 1 1 3   14 6  o 191.8605 3.868921 3150.589       126.7586 2974.214       216.3020 3242.844       156.4357 185.9427 6.812075 194.5364 4.709047 -8.593704      8.281274 
1 1 1 3   14 7  o 187.2958 3.928242 3002.975       125.6400 2898.665       212.9147 3058.703       155.6235 183.5426 6.793085 188.9016 4.824337 -5.359039      8.331881 
1 1 1 3   14 8  o 278.3038 5.000048 6641.995       237.6267 6801.158       407.6037 6560.049       292.4697 280.4667 8.510495 276.2599 6.199565 4.206879       10.52916 
1 1 1 3   14 9  o 95.40765 14.10207 820.2704       222.8329 944.6238       379.9687 755.0826       275.1075 98.87498 22.94653 89.86668 18.54199 9.008301       29.50168 
1 1 1 3   14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   14 12 o 149.4126 3.994365 1912.082       101.9147 2058.222       187.8634 1851.136       121.3184 154.4922 7.120883 146.9052 4.836013 7.586945       8.607787 
1 1 1 3   14 13 o 41.20795 4.945374 147.7822       34.10511 334.0663       84.11037 111.1280       37.30990 61.60522 8.198807 35.39357 6.408982 26.21165       10.40651 
1 1 1 3   14 14 o 104.2521 5.704675 937.7748       101.1737 839.2159       142.2739 1038.603       143.9025 97.94194 8.593426 109.2594 7.763247 -11.31747      11.58080 
1 1 1 3   14 15 o 123.0373 5.505135 1303.308       115.6662 978.7923       164.5935 1619.928       162.5786 105.4653 9.232034 136.6543 6.990274 -31.18903      11.57991 
1 1 1 3   14 16 o 38.22813 11.36689 132.3615       79.66234 160.9289       127.5109 114.0732       102.0232 42.95360 14.57397 37.19658 13.01940 5.757023       19.54240 
1 1 1 3   14 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   14 18 o 63.91959 8.332092 364.7735       88.78474 421.2552       143.5901 329.8133       112.9684 66.87408 13.04219 59.59417 11.51749 7.279903       17.39975 
1 1 1 3   14 19 o 65.25408 7.631530 378.8159       83.43333 248.8007       124.1412 485.9239       112.6755 50.67891 13.91851 73.39734 9.191282 -22.71843      16.67946 
1 1 1 3   14 20 o 26.59104 10.64504 37.25104       73.33554 -26.35965      115.4773 80.24577       94.93778 27.34310 12.19224 32.78231 12.39018 -5.439215      17.38296 
1 1 1 3   14 21 f 43.28140 11.22756 179.6616       83.69027 212.3023       145.9029 163.6560       102.1692 46.32784 15.59027 41.26207 12.99228 5.065769       20.29424 
1 1 1 3   14 22 o 32.12437 11.22772 91.13178       75.86215 233.9662       119.1464 -6.254772      98.38167 47.99603 13.80027 26.00433 11.44088 21.99170       17.92600 
1 1 1 3   14 23 o 54.03312 9.385511 274.5726       83.45821 418.8528       129.8865 173.1160       108.9183 65.23943 12.10442 41.54506 13.45051 23.69437       18.09512 
1 1 1 3   14 24 o 50.78458 10.07640 248.8327       84.30093 347.9605       131.3165 179.3407       109.9484 57.86252 13.53145 41.76234 13.51324 16.10017       19.12349 
1 1 1 3   14 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   15 0  o 75.15128 5.294472 486.8973       67.51119 466.8032       123.2183 495.5171       80.70246 72.62296 10.21833 75.66721 6.302974 -3.044250      12.00591 
1 1 1 3   15 1  o 103.8683 4.992732 925.1138       88.55702 833.9651       132.8443 998.0154       118.8054 97.97473 8.010174 107.5318 6.500453 -9.557091      10.31595 
1 1 1 3   15 2  o 61.42710 4.868974 325.5023       50.65556 319.3221       72.71148 331.3304       70.61028 60.47123 7.181694 61.67880 6.817941 -1.207569      9.902578 
1 1 1 3   15 3  o 88.98408 4.023522 678.0068       61.13933 598.1545       92.40141 740.1921       81.54147 83.13107 6.562346 92.74736 5.168980 -9.616287      8.353606 
1 1 1 3   15 4  o 72.72932 4.749792 455.3768       58.66709 453.3726       92.90263 456.7062       75.66199 72.09654 7.663397 72.63423 6.158055 -0.5376892     9.831038 
1 1 1 3   15 5  o 161.0448 11.58293 2279.464       316.4146 2528.386       431.4082 1989.661       465.4884 167.9727 15.20481 146.9168 18.99897 21.05589       24.33408 
1 1 1 3   15 6  o 131.7171 18.37429 1597.858       402.0356 1825.002       533.3900 1299.062       611.7617 137.9537 23.48305 111.6732 30.98811 26.28047       38.88080 
1 1 1 3   15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   15 9  o 154.7983 4.057934 2052.589       107.2687 2091.992       189.8910 2034.122       129.9972 155.7536 7.139442 153.9806 4.943857 1.772980       8.684086 
1 1 1 3   15 10 o 112.8078 3.987744 1090.097       76.81895 982.2181       140.6754 1135.934       91.69805 106.3178 7.802869 115.0861 4.665900 -8.768272      9.091501 
1 1 1 3   15 11 o 76.41183 4.132378 501.8266       53.72115 571.1253       104.5945 476.9952       62.61047 80.92462 7.659939 74.38224 4.957592 6.542381       9.124275 
1 1 1 3   15 12 o 73.62304 4.191648 466.2995       52.48076 507.6278       104.9879 452.5327       60.59449 76.05549 8.214066 72.41979 4.929074 3.635696       9.579491 
1 1 1 3   15 13 o 179.4270 4.154953 2762.315       127.3080 2941.404       237.8512 2690.409       150.7142 184.1143 7.565118 176.8855 4.989534 7.228882       9.062365 
1 1 1 3   15 14 o 72.59068 7.112059 461.6698       87.02889 409.0834       129.2022 505.3460       117.7485 66.83656 11.74904 75.31106 9.357464 -8.474495      15.02006 
1 1 1 3   15 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   15 16 o 121.3751 5.966496 1276.969       123.6661 1082.220       190.1384 1419.753       162.8061 109.7271 10.26672 127.2135 7.527882 -17.48638      12.73085 
1 1 1 3   15 17 o 120.7609 5.904153 1266.340       121.7547 1372.861       172.6778 1161.022       171.7007 124.5519 8.163827 114.1292 8.879853 10.42263       12.06233 
1 1 1 3   15 18 o 81.82961 7.023921 591.2379       97.19904 887.3029       161.9207 424.4513       121.5316 99.00008 9.702479 67.63971 10.89146 31.36037       14.58636 
1 1 1 3   15 19 f 61.85980 8.206652 345.5467       84.55151 233.3482       129.3139 429.3335       111.7479 48.50328 14.49601 68.29401 9.868179 -19.79074      17.53612 
1 1 1 3   15 20 o 87.19098 6.941447 675.8009       102.4971 718.5737       145.1899 633.3065       144.7167 88.25636 9.799023 82.33588 10.53418 5.920471       14.38714 
1 1 1 3   15 21 o 75.66133 7.605176 516.9861       96.93118 559.3943       161.9272 493.3036       121.0065 75.00703 13.11981 72.47292 10.04790 2.534119       16.52543 
1 1 1 3   15 22 o 41.87289 11.03712 172.3359       80.03736 201.9827       125.7507 152.1476       103.7700 44.17247 14.46147 39.26023 13.14825 4.912243       19.54509 
1 1 1 3   15 23 o 70.20211 7.692970 451.3221       90.71412 431.5115       139.0816 465.9895       119.6732 64.81773 13.01740 69.50703 10.40223 -4.689301      16.66311 
1 1 1 3   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   16 4  o 117.2760 4.179889 1178.330       83.70967 1245.309       132.1350 1133.427       108.1898 120.1096 6.466077 114.8753 5.515155 5.234222       8.498652 
1 1 1 3   16 5  o 51.90344 5.979578 234.6676       52.03004 219.9690       94.87349 240.9899       62.22154 49.15775 11.50548 52.39160 7.140673 -3.233849      13.54124 
1 1 1 3   16 6  o 181.6542 3.908352 2826.409       121.2386 2815.928       180.5651 2835.013       163.6018 180.9649 5.843024 181.6956 5.272806 -0.7307129     7.870414 
1 1 1 3   16 7  o 30.18137 8.912476 80.34913       49.10658 108.1837       98.18637 71.06419       56.70855 36.70816 12.77652 29.26775 9.717681 7.440411       16.05219 
1 1 1 3   16 8  o 134.5489 4.224514 1551.926       97.06417 1386.771       172.5139 1628.427       117.4119 126.2839 8.041560 137.7162 4.992580 -11.43230      9.465334 
1 1 1 3   16 9  o 80.51369 4.590925 558.1660       62.85921 678.2300       140.5130 528.1262       70.28430 87.65969 9.540802 78.20004 5.294389 9.459648       10.91135 
1 1 1 3   16 10 o 48.47778 5.757344 205.2602       46.72961 285.1483       102.5762 184.3387       52.49308 55.93495 11.13046 45.66227 6.951382 10.27268       13.12283 
1 1 1 3   16 11 o 185.3633 4.196289 2950.010       132.8285 2829.598       236.0572 3005.800       160.6802 180.3821 7.663406 186.8813 5.034943 -6.499176      9.169430 
1 1 1 3   16 12 o 70.48313 4.837151 429.6996       57.86827 465.8186       133.2239 421.3000       64.24559 71.49413 11.28667 69.66850 5.443376 1.825630       12.53073 
1 1 1 3   16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   16 14 o 112.6590 5.812085 1102.497       111.4340 1146.386       165.5243 1066.118       150.6997 113.7597 8.583840 109.9082 8.086136 3.851532       11.79271 
1 1 1 3   16 15 o 98.05685 6.363403 840.6862       105.9780 1036.711       171.2775 719.0809       134.9029 107.4979 9.425529 89.62928 8.932932 17.86858       12.98606 
1 1 1 3   16 16 o 135.3683 5.560891 1591.361       128.5474 1429.221       188.1368 1733.340       176.0513 126.4551 8.766466 140.2086 7.378937 -13.75346      11.45861 
1 1 1 3   16 17 o 23.38057 10.03486 3.361503       71.89650 7.444590       114.2470 0.6841973      92.51228 29.06381 12.56283 26.03539 11.27925 3.028419       16.88331 
1 1 1 3   16 18 o 83.86721 6.626906 622.7904       94.13530 810.8812       143.1828 479.5964       124.9308 94.42141 8.988598 71.59423 10.53340 22.82718       13.84729 
1 1 1 3   16 19 o 26.86331 10.73409 42.78735       74.41585 -4.653584      119.1728 73.10838       95.27357 28.40357 12.53981 31.56593 12.28724 -3.162359      17.55629 
1 1 1 3   16 20 o 38.23774 11.32796 142.9752       79.22602 132.8804       123.6724 150.0014       103.1770 38.05294 14.19067 39.09570 13.11055 -1.042763      19.31998 
1 1 1 3   16 21 o 42.73970 11.54634 182.8371       86.26242 171.9504       152.0126 188.0079       104.7643 41.50270 15.68014 42.76549 13.10607 -1.262787      20.43614 
1 1 1 3   16 22 o 32.81962 11.45181 101.6846       78.90508 92.12852       123.9887 108.1890       102.2924 34.15624 13.78201 34.37549 12.88882 -0.2192497     18.86970 
1 1 1 3   17 0  o 145.3435 3.844300 1809.582       95.41460 1694.666       142.8493 1902.149       128.2082 140.3326 5.960977 148.8400 5.044224 -8.507324      7.808805 
1 1 1 3   17 1  o 86.52521 4.837998 644.5416       71.19789 652.7341       138.9590 641.6254       82.90711 86.04931 9.621338 86.19732 5.663962 -0.1480103     11.16470 
1 1 1 3   17 2  o 111.4763 4.853564 1066.738       92.39434 1006.022       119.7390 1156.092       145.2581 107.8326 6.533375 115.4145 7.409329 -7.581902      9.878418 
1 1 1 3   17 3  o 109.2898 4.166245 1024.015       77.75461 1032.770       124.0344 1018.348       99.79845 109.2081 6.683137 108.8402 5.369483 0.3678436      8.572962 
1 1 1 3   17 4  o 202.4839 4.034035 3514.779       139.4865 3620.083       207.8439 3428.485       188.1503 205.0160 5.936735 199.6341 5.519101 5.381912       8.105880 
1 1 1 3   17 5  o 218.3993 5.906968 4109.750       220.3017 4596.342       350.3983 3791.677       283.2976 229.6345 8.935581 209.0186 7.936993 20.61591       11.95159 
1 1 1 3   17 6  o 93.34100 4.407366 747.9518       70.25117 692.3306       122.6951 775.0797       85.68701 88.86448 8.177052 94.75650 5.316946 -5.892021      9.753671 
1 1 1 3   17 7  o 99.08493 4.368279 843.1580       73.91284 961.4893       138.0911 795.6456       87.50233 104.8850 7.765108 95.96670 5.360888 8.918312       9.435890 
1 1 1 3   17 8  o 91.10741 4.719041 715.9101       73.16748 877.6295       145.6509 661.3248       84.61941 99.79539 8.631732 87.35043 5.704192 12.44497       10.34624 
1 1 1 3   17 9  o 37.25135 7.840739 125.5091       48.29898 55.15087       124.2441 138.0345       52.42218 33.93140 13.75936 39.04601 8.126449 -5.114601      15.97996 
1 1 1 3   17 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   17 11 o 11.82142 5.778626 -72.51525      38.68176 -109.2447      116.2567 -67.94282      41.01889 23.81137 11.19174 12.61709 6.118392 11.19428       12.75499 
1 1 1 3   17 12 o 53.76679 5.606156 253.0819       50.71620 436.1871       124.1742 216.4222       55.56171 68.85480 10.92562 49.38593 6.766166 19.46888       12.85108 
1 1 1 3   17 13 o 74.34404 4.601427 478.8999       58.13004 860.0460       154.2377 415.7975       62.75783 97.76851 9.352356 69.06783 5.363016 28.70068       10.78093 
1 1 1 3   17 14 o 80.45979 7.717411 576.2822       104.7349 456.3667       160.7458 664.7432       138.0632 68.27078 14.24854 85.54286 9.618085 -17.27208      17.19094 
1 1 1 3   17 15 o 121.7920 5.678086 1292.319       118.0926 1130.331       174.5208 1429.135       160.3891 111.7716 9.225984 126.9846 7.428791 -15.21300      11.84507 
1 1 1 3   17 16 o 59.88201 8.371321 326.8167       83.26324 469.8207       128.8095 224.1765       109.1271 70.50219 11.06316 47.54168 13.04675 22.96051       17.10588 
1 1 1 3   17 17 o 41.10335 11.50045 165.1776       83.89587 165.2332       146.5967 165.1505       102.3057 41.71871 15.47124 40.92693 13.01345 0.7917824      20.21655 
1 1 1 3   17 18 o 71.50744 8.081447 466.9333       96.95120 492.4982       137.4530 441.6221       136.7690 71.07063 11.73523 66.70923 12.46437 4.361397       17.11947 
1 1 1 3   17 19 o 34.04182 11.37086 110.0009       77.60883 48.37696       121.9146 151.9881       100.6328 31.46222 13.26756 39.05400 12.94414 -7.591789      18.53588 
1 1 1 3   17 20 o 84.81723 6.805347 648.9669       97.73804 581.4584       147.9535 701.2374       130.1892 76.47878 11.70085 86.56553 8.935528 -10.08675      14.72255 
1 1 1 3   18 0  o 84.64832 4.502063 617.6307       64.84369 427.0656       101.1185 750.7264       84.50668 69.34539 8.732748 93.17990 5.333031 -23.83451      10.23240 
1 1 1 3   18 1  o 107.1175 3.986429 984.9747       72.91991 959.8112       113.8676 1002.469       94.94186 105.1183 6.373471 107.8706 5.154097 -2.752296      8.196696 
1 1 1 3   18 2  o 50.84597 6.142247 226.7567       52.25096 160.5629       81.54973 272.8564       68.05546 41.73294 11.20645 55.55270 7.354735 -13.81976      13.40435 
1 1 1 3   18 3  o 27.40997 9.476871 60.67883       53.97690 87.89479       97.37189 48.60567       64.85333 34.23001 12.62584 27.05453 10.23691 7.175474       16.25442 
1 1 1 3   18 4  o 156.4036 3.842298 2100.296       102.6218 2180.193       158.2214 2042.279       134.8278 158.7765 5.835487 153.8945 5.130435 4.881927       7.770089 
1 1 1 3   18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   18 8  o 61.97015 5.830374 335.7869       60.97400 364.2276       130.8279 327.8949       68.91651 62.08532 12.76620 60.99482 6.728482 1.090496       14.43081 
1 1 1 3   18 9  o 64.61016 5.402176 363.9825       59.05656 441.0234       112.0018 334.3145       69.50364 69.70663 9.669552 61.54856 6.722135 8.158073       11.77656 
1 1 1 3   18 10 o 31.39221 8.589018 90.29125       47.37825 25.84529       97.99841 109.9491       54.12387 28.63951 11.97526 34.51032 9.066480 -5.870811      15.02025 
1 1 1 3   18 11 o 36.44748 7.923427 121.7221       47.90863 123.7767       99.04852 121.0946       54.73770 37.29096 12.84079 36.15313 8.920924 1.137833       15.63550 
1 1 1 3   18 12 o 41.57930 6.753577 155.3080       46.30723 96.50330       101.2796 170.8504       52.06847 34.63192 12.85625 43.49933 7.265841 -8.867409      14.76738 
1 1 1 3   18 13 o 41.27525 6.598291 153.1714       44.94105 156.7051       119.7729 152.5924       48.48343 40.83807 14.11708 41.01545 7.183998 -0.1773872     15.83988 
1 1 1 3   18 14 o 101.5953 3.991206 892.0635       69.24363 1342.916       146.9025 763.2812       78.51267 122.9261 7.027314 93.55690 4.931726 29.36918       8.585165 
1 1 1 3   18 15 o 43.93754 10.57030 186.8410       78.34403 211.7711       123.0181 169.8311       101.6151 45.42641 14.24876 41.32346 12.94815 4.102959       19.25310 
1 1 1 3   18 16 o 22.15985 9.915402 -19.27586      77.08774 -128.0316      141.7155 26.42773       91.86842 25.30367 12.03040 27.24619 11.50491 -1.942524      16.64612 
1 1 1 3   18 17 o 79.99361 7.381402 579.7585       99.69415 571.0446       165.6842 584.7039       124.8185 74.74008 13.47734 78.93749 9.447328 -4.197411      16.45876 
1 1 1 3   18 18 o 89.63509 6.556914 721.8696       99.66788 783.1478       150.6546 674.1761       132.9104 90.62489 9.895776 84.48393 9.370460 6.140953       13.62835 
1 1 1 3   19 0  o 71.00410 4.673447 436.6763       56.34930 498.7013       86.73533 391.3785       74.12267 75.32397 6.816988 66.72548 6.591312 8.598495       9.482443 
1 1 1 3   19 1  f 107.8552 4.041678 1000.897       74.43974 911.7377       114.0442 1067.082       98.25821 102.0999 6.576007 111.0915 5.179478 -8.991684      8.370833 
1 1 1 3   19 2  o 106.6059 4.009233 977.8836       72.98682 877.4222       109.7686 1057.497       97.71719 100.1768 6.450966 110.5777 5.174892 -10.40099      8.270095 
1 1 1 3   19 3  o 77.37847 4.513515 518.0958       59.38105 374.1064       96.59793 605.5579       75.28573 64.35193 9.039609 83.47163 5.309271 -19.11970      10.48346 
1 1 1 3   19 4  o 173.6467 4.324128 2599.338       128.2233 2348.295       223.6945 2722.186       156.4823 163.1569 8.028747 177.3415 5.167174 -14.18454      9.547798 
1 1 1 3   19 5  o 59.45653 6.622018 312.4384       66.09221 315.1342       85.98244 308.5455       103.3265 58.97528 8.807535 57.50713 10.92113 1.468155       14.03010 
1 1 1 3   19 6  o 118.7835 4.066930 1215.811       82.49445 1300.531       128.3510 1156.181       107.6815 121.9787 6.182081 115.4108 5.463773 6.567879       8.250512 
1 1 1 3   19 7  o 146.2504 4.355612 1846.576       108.7798 1617.560       198.7481 1944.523       129.9763 134.4444 8.703516 149.7820 5.081626 -15.33754      10.07840 
1 1 1 3   19 8  o 140.9612 4.293736 1715.798       103.3563 1570.978       192.0083 1774.880       122.6403 132.4723 8.533155 143.0739 5.019622 -10.60159      9.900068 
1 1 1 3   19 9  o 66.30931 7.707497 394.5909       85.64683 0.000000       0.000000 394.5909       85.64683 ?        ?        66.30931 7.707497 0.000000       7.707497 
1 1 1 3   19 10 o 23.68826 8.823564 40.80542       47.78675 -45.18842      116.8032 58.09268       52.37020 26.23831 11.92847 26.50771 9.325049 -0.2693920     15.14084 
1 1 1 3   19 11 o 26.01128 8.758206 58.56456       46.04572 101.3344       119.3487 51.08503       49.90979 35.69003 13.79137 25.25248 9.079641 10.43756       16.51187 
1 1 1 3   19 12 o 58.95749 5.701491 307.5989       56.68563 403.9630       132.2831 285.9236       62.73772 63.84173 12.58122 56.47626 6.631402 7.365471       14.22190 
1 1 1 3   19 13 o 79.22482 4.693465 548.4912       63.21452 768.0274       139.8492 492.1168       70.86765 91.09850 9.111941 74.66456 5.598936 16.43394       10.69465 
1 1 1 3   19 14 o 16.55318 6.938040 6.168477       33.01092 -220.5337      119.5347 24.88544       34.34662 19.95872 9.836457 19.41396 7.424851 0.5447559      12.32413 
1 1 1 3   19 15 o 55.32268 9.832715 293.7268       89.48854 360.0149       155.4673 260.8812       109.4361 56.97311 15.54656 50.27458 12.73324 6.698536       20.09554 
1 1 1 3   19 16 o 90.18900 6.892252 735.6478       105.3455 854.3613       172.3598 664.8562       133.0995 93.39399 11.01946 83.68738 9.480802 9.706612       14.53665 
1 1 1 3   20 0  o 36.13311 8.011199 120.2068       48.13487 133.4119       85.79901 114.1417       58.14774 37.74977 11.90837 34.97410 9.492984 2.775673       15.22911 
1 1 1 3   20 1  o 43.64388 6.430423 170.2035       46.48910 304.5633       84.51562 111.9129       55.66745 57.72590 8.856382 34.65122 9.238825 23.07468       12.79810 
1 1 1 3   20 2  o 52.51085 6.081589 244.0726       53.52470 219.5405       97.28798 254.7213       64.09727 47.64850 11.97163 53.28319 7.231273 -5.634693      13.98611 
1 1 1 3   20 3  o 59.61615 5.592407 312.3465       56.26765 264.5727       90.50336 342.4480       71.83957 53.03436 10.36480 62.00342 6.902080 -8.969063      12.45262 
1 1 1 3   20 4  o 84.69084 4.440579 622.4241       63.99738 607.8220       105.1819 631.0074       80.64223 82.45100 7.554380 84.87691 5.595177 -2.425911      9.400781 
1 1 1 3   20 5  o 22.78292 8.967334 30.15524       51.20968 15.82168       91.42975 36.70727       61.81565 26.76290 11.39666 24.91552 9.837761 1.847378       15.05541 
1 1 1 3   20 6  f 170.3342 4.900350 2522.858       142.5381 2324.219       182.0132 2837.865       229.2083 162.3291 6.566057 178.4843 7.520185 -16.15520      9.983300 
1 1 1 3   20 7  o 129.6613 4.499994 1458.995       99.63781 1204.127       190.8842 1554.443       116.8145 113.9861 9.905025 133.5168 5.123409 -19.53070      11.15163 
1 1 1 3   20 8  o 79.10905 5.187909 548.8964       69.69614 487.1061       129.8999 573.8747       82.59043 71.32071 11.02105 80.51711 6.051002 -9.196396      12.57292 
1 1 1 3   20 9  o 79.20557 5.053104 550.0881       67.99002 570.2076       147.2053 544.6322       76.65628 76.62900 11.61332 78.50519 5.758212 -1.876190      12.96249 
1 1 1 3   20 10 o 75.71848 5.297660 504.7379       68.06798 560.3419       147.7317 489.7521       76.69391 75.61785 11.82814 74.21651 6.105589 1.401337       13.31102 
1 1 1 3   20 11 o 48.37344 9.070617 221.2987       72.17558 0.000000       0.000000 221.2987       72.17558 ?        ?        48.37344 9.070617 0.000000       9.070617 
1 1 1 3   20 12 f 83.93793 4.735845 617.6600       67.60523 624.8057       129.4175 614.9783       79.28259 81.35950 9.493518 83.32427 5.604500 -1.964767      11.02440 
1 1 1 3   20 13 o 28.39368 8.429017 76.09592       43.83138 54.56195       102.6519 80.89743       48.47230 29.89104 12.35664 29.22215 8.907185 0.6688881      15.23235 
1 1 1 3   21 0  o 27.23009 8.831086 66.90593       46.93654 151.9129       89.09582 34.25156       55.22055 39.23414 12.09674 23.62392 9.307573 15.61022       15.26310 
1 1 1 3   21 1  o 94.22726 4.252583 770.5682       68.42759 909.0534       116.5173 697.6609       84.54237 100.8808 6.803366 88.97569 5.592633 11.90516       8.807005 
1 1 1 3   21 2  o 31.93395 8.718579 96.27964       48.87960 -14.03714      96.30100 134.5633       56.73055 25.06150 11.15743 37.64341 8.955379 -12.58191      14.30689 
1 1 1 3   21 3  o 77.97219 4.598115 531.0936       60.95301 586.9919       105.3372 502.9556       74.73594 80.36269 7.772921 75.34560 5.854548 5.017090       9.731085 
1 1 1 3   21 4  o 64.79889 6.119422 374.2229       66.91255 370.8194       126.7890 375.5368       78.77613 60.65211 12.65091 64.35715 7.296935 -3.705040      14.60448 
1 1 1 3   21 5  o 93.05084 4.420573 753.2937       70.24264 719.9374       116.6241 772.2828       87.99357 88.99087 7.751758 93.57771 5.531085 -4.586838      9.522744 
1 1 1 3   21 6  o 19.25044 8.398594 -3.508583      52.04004 -17.46884      112.5681 0.2859708      58.68795 26.63505 11.94529 20.70568 8.976984 5.929367       14.94243 
1 1 1 3   21 7  o 52.21663 10.50872 265.7687       90.46040 162.7596       149.5004 325.2671       113.6207 40.63094 15.50212 56.85042 12.07640 -16.21947      19.65083 
1 1 1 3   21 8  o 20.38776 8.708504 6.693870       53.68192 -32.20518      142.0018 13.17995       57.98495 28.64456 13.07255 21.66197 9.143223 6.982592       15.95274 
1 1 1 3   21 9  o 63.66651 6.195519 364.2067       66.50492 228.5088       157.3322 393.7278       73.38329 45.02430 16.12790 66.00201 6.599308 -20.97771      17.42585 
1 1 1 3   21 10 o 56.46423 6.621457 289.6390       62.63316 255.3143       132.1927 299.5751       71.12302 47.80334 14.73410 56.97292 7.492059 -9.169582      16.52951 
1 1 1 3   22 0  o 26.96945 9.266748 65.21193       51.57105 114.8704       82.52090 33.38870       66.06011 34.33518 11.72392 24.57828 10.00816 9.756903       15.41472 
1 1 1 3   22 1  o 49.67757 6.927895 225.8957       57.17157 233.2570       100.4206 222.3654       69.54205 47.40390 12.29955 48.36934 8.740997 -0.9654465     15.08920 
1 1 1 3   22 2  o 53.89804 7.021887 265.9817       63.09440 423.9258       106.4839 180.5280       78.32446 66.43578 9.669693 42.39100 10.79179 24.04478       14.49020 
1 1 1 3   22 3  o 49.49635 7.542331 227.3369       61.73495 47.27903       106.4757 318.5207       75.77103 29.55636 12.42798 58.60609 7.762084 -29.04972      14.65280 
1 1 1 3   22 4  o 42.85846 8.977813 177.1290       63.60218 86.55694       125.0779 208.7160       73.86484 33.50979 13.72245 46.22669 9.668000 -12.71690      16.78618 
1 1 1 3   22 5  o 64.60819 6.118325 375.5616       66.69862 378.9459       121.6535 374.1071       79.75411 60.69864 12.16044 63.70646 7.473035 -3.007820      14.27314 
1 1 1 4   0  0  o 682.4211 18.13195 40070.81       2109.625 40070.81       2109.625 40070.81       2109.625 682.4211 18.13195 682.4211 18.13195 0.000000       0.000000 
1 1 1 4   0  1  o 524.3721 10.76624 23553.62       963.1456 23553.62       963.1456 23553.62       963.1456 524.3721 10.76624 524.3721 10.76624 0.000000       0.000000 
1 1 1 4   0  2  o 320.4930 6.727080 8788.780       367.8028 8788.780       367.8028 8788.780       367.8028 320.4930 6.727080 320.4930 6.727080 0.000000       0.000000 
1 1 1 4   0  3  o 113.1762 4.466998 1099.193       86.02672 1099.193       86.02672 1099.193       86.02672 113.1762 4.466998 113.1762 4.466998 0.000000       0.000000 
1 1 1 4   0  4  o 491.7156 9.906847 20717.73       831.1003 20717.73       831.1003 20717.73       831.1003 491.7156 9.906847 491.7156 9.906847 0.000000       0.000000 
1 1 1 4   0  5  f 213.6946 4.380937 3906.284       159.7168 3906.284       159.7168 3906.284       159.7168 213.6946 4.380937 213.6946 4.380937 0.000000       0.000000 
1 1 1 4   0  6  o 103.1468 4.366259 913.8776       76.59380 913.8776       76.59380 913.8776       76.59380 103.1468 4.366259 103.1468 4.366259 0.000000       0.000000 
1 1 1 4   0  7  o 18.78076 7.322966 41.29340       22.41612 41.29340       22.41612 41.29340       22.41612 18.78076 7.322966 18.78076 7.322966 0.000000       0.000000 
1 1 1 4   0  8  o 146.2481 4.591297 1832.445       114.4082 1832.445       114.4082 1832.445       114.4082 146.2481 4.591297 146.2481 4.591297 0.000000       0.000000 
1 1 1 4   0  9  o 406.5553 6.614734 14133.89       458.9599 14133.89       458.9599 14133.89       458.9599 406.5553 6.614734 406.5553 6.614734 0.000000       0.000000 
1 1 1 4   0  10 o 56.31115 4.137411 275.1705       39.29184 275.1705       39.29184 275.1705       39.29184 56.31115 4.137411 56.31115 4.137411 0.000000       0.000000 
1 1 1 4   0  11 o 478.0193 9.022332 19554.89       735.8972 19554.89       735.8972 19554.89       735.8972 478.0193 9.022332 478.0193 9.022332 0.000000       0.000000 
1 1 1 4   0  12 o 238.0113 4.949011 4845.083       200.9527 4845.083       200.9527 4845.083       200.9527 238.0113 4.949011 238.0113 4.949011 0.000000       0.000000 
1 1 1 4   0  13 o 164.2511 4.609119 2309.825       129.0488 2309.825       129.0488 2309.825       129.0488 164.2511 4.609119 164.2511 4.609119 0.000000       0.000000 
1 1 1 4   0  14 o 25.83669 9.268884 75.47897       37.39471 75.47897       37.39471 75.47897       37.39471 25.83669 9.268884 25.83669 9.268884 0.000000       0.000000 
1 1 1 4   0  15 o 40.37140 7.811933 153.9920       48.05272 153.9920       48.05272 153.9920       48.05272 40.37140 7.811933 40.37140 7.811933 0.000000       0.000000 
1 1 1 4   0  16 o 295.1551 5.203384 7452.311       262.0799 7452.311       262.0799 7452.311       262.0799 295.1551 5.203384 295.1551 5.203384 0.000000       0.000000 
1 1 1 4   0  17 o 239.6875 5.318807 4918.717       217.4596 4918.717       217.4596 4918.717       217.4596 239.6875 5.318807 239.6875 5.318807 0.000000       0.000000 
1 1 1 4   0  18 o 88.08805 9.449172 688.1097       138.0079 688.1097       138.0079 688.1097       138.0079 88.08805 9.449172 88.08805 9.449172 0.000000       0.000000 
1 1 1 4   0  19 o 147.4236 6.843781 1873.045       171.4461 1873.045       171.4461 1873.045       171.4461 147.4236 6.843781 147.4236 6.843781 0.000000       0.000000 
1 1 1 4   0  20 o 176.9646 5.653296 2688.155       170.4453 2688.155       170.4453 2688.155       170.4453 176.9646 5.653296 176.9646 5.653296 0.000000       0.000000 
1 1 1 4   0  21 o 37.10676 22.11178 138.0322       246.4151 138.0322       246.4151 138.0322       246.4151 37.10676 22.11178 37.10676 22.11178 0.000000       0.000000 
1 1 1 4   0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  23 o 15.63797 10.02729 2.700559       60.63326 2.700559       60.63326 2.700559       60.63326 15.63797 10.02729 15.63797 10.02729 0.000000       0.000000 
1 1 1 4   0  24 o 102.4678 5.520163 907.0954       95.95152 907.0954       95.95152 907.0954       95.95152 102.4678 5.520163 102.4678 5.520163 0.000000       0.000000 
1 1 1 4   0  25 o 114.9947 5.340443 1140.759       104.3562 1140.759       104.3562 1140.759       104.3562 114.9947 5.340443 114.9947 5.340443 0.000000       0.000000 
1 1 1 4   0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  27 o 17.82533 11.09814 19.47483       68.36565 19.47483       68.36565 19.47483       68.36565 17.82533 11.09814 17.82533 11.09814 0.000000       0.000000 
1 1 1 4   0  28 o 13.03118 9.015846 -53.07009      68.50187 -53.07009      68.50187 -53.07009      68.50187 13.03118 9.015846 13.03118 9.015846 0.000000       0.000000 
1 1 1 4   0  29 o 34.02689 13.23110 140.3624       73.25917 140.3624       73.25917 140.3624       73.25917 34.02689 13.23110 34.02689 13.23110 0.000000       0.000000 
1 1 1 4   0  30 o 39.20925 12.83931 174.1525       76.19544 174.1525       76.19544 174.1525       76.19544 39.20925 12.83931 39.20925 12.83931 0.000000       0.000000 
1 1 1 4   0  31 f 29.11534 13.64755 113.6379       76.00596 113.6379       76.00596 113.6379       76.00596 29.11534 13.64755 29.11534 13.64755 0.000000       0.000000 
1 1 1 4   1  0  o 447.8613 8.129518 17165.01       621.7421 17061.45       879.2352 17268.59       879.3170 445.9949 11.54445 448.7062 11.47576 -2.711273      16.27782 
1 1 1 4   1  1  o 211.0634 4.992992 3806.871       179.9599 3620.515       254.4129 3993.487       254.5905 205.7357 7.241482 216.0910 6.899279 -10.35522      10.00196 
1 1 1 4   1  2  o 346.9587 4.980675 10287.74       295.0992 9883.841       417.3571 10691.54       417.3094 339.9135 7.190142 353.5547 6.911934 -13.64120      9.973614 
1 1 1 4   1  3  o 64.86866 2.869116 359.4089       31.78228 362.3359       44.90223 356.4703       44.99175 64.99416 4.066131 64.46085 4.108691 0.5333099      5.780550 
1 1 1 4   1  4  o 168.7946 3.031173 2433.820       87.37179 2591.652       123.7388 2276.884       123.3867 174.1464 4.160920 163.2195 4.426847 10.92699       6.075378 
1 1 1 4   1  5  o 430.6728 5.590177 15868.52       411.1260 15840.41       581.4614 15896.63       581.3784 429.8579 7.921257 430.6234 7.906047 -0.7654724     11.19160 
1 1 1 4   1  6  o 199.6425 3.301014 3405.645       112.5388 3494.962       159.1610 3316.344       159.1468 202.1724 4.610127 196.9308 4.732411 5.241608       6.606739 
1 1 1 4   1  7  o 242.1712 3.959209 5011.984       163.7318 4840.604       231.4501 5183.665       231.6534 237.8798 5.697677 246.1798 5.510415 -8.300034      7.926424 
1 1 1 4   1  8  o 300.2051 3.936692 7699.982       201.8141 7913.407       285.4401 7486.652       285.3764 304.2437 5.494034 295.9159 5.647391 8.327881       7.878923 
1 1 1 4   1  9  o 169.0203 3.510643 2440.158       101.3275 2464.756       143.2373 2415.518       143.3603 169.8378 4.938782 168.1314 4.993190 1.706421       7.023070 
1 1 1 4   1  10 o 276.2939 4.221418 6521.349       199.1736 6390.350       281.6366 6652.417       281.7112 273.4318 6.031678 278.9879 5.913124 -5.556030      8.446667 
1 1 1 4   1  11 o 326.7365 4.674908 9121.241       260.8391 9292.077       368.9164 8950.469       368.8481 329.6772 6.552953 323.5525 6.675762 6.124695       9.354517 
1 1 1 4   1  12 o 116.1461 3.073725 1152.167       60.96373 1095.537       84.17088 1214.654       88.41725 113.2383 4.352780 119.2358 4.342387 -5.997505      6.148416 
1 1 1 4   1  13 o 294.2361 4.203178 7396.833       211.1911 7464.499       302.3237 7332.343       295.1444 295.4799 5.991594 292.8582 5.901674 2.621613       8.410050 
1 1 1 4   1  14 o 590.7425 7.608807 29873.38       767.5677 30452.15       1085.574 29294.75       1085.435 595.6989 10.67163 584.2107 10.88009 11.48816       15.24008 
1 1 1 4   1  15 o 140.1914 2.894016 1678.885       69.28262 1603.507       97.90274 1754.503       98.05827 136.9727 4.185613 143.2826 4.007642 -6.309937      5.794872 
1 1 1 4   1  16 o 251.5615 4.016611 5409.570       172.5464 5589.646       244.8756 5231.998       243.1682 255.5737 5.610835 247.2472 5.759348 8.326462       8.040619 
1 1 1 4   1  17 o 296.2567 4.704143 7508.982       237.9855 7384.384       294.6729 7742.692       403.5741 293.6232 5.876894 300.2899 7.870108 -6.666656      9.822244 
1 1 1 4   1  18 o 217.9158 4.442089 4063.280       165.3019 4213.518       277.1919 3980.364       205.9250 221.5015 7.328279 215.5462 5.594572 5.955307       9.219702 
1 1 1 4   1  19 o 376.5861 5.356201 12152.63       344.4476 12276.29       487.7601 12029.62       486.4872 377.8215 7.559928 373.9859 7.617531 3.835632       10.73216 
1 1 1 4   1  20 o 38.12956 8.052689 129.9523       50.78870 99.00679       69.90386 164.5522       73.91608 33.99976 10.75135 42.73734 10.25836 -8.737576      14.86020 
1 1 1 4   1  21 o 202.4027 3.619696 3505.164       125.1095 3726.612       177.8146 3288.062       176.0616 208.5027 4.994061 195.8073 5.265430 12.69540       7.257093 
1 1 1 4   1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   1  23 o 77.21014 4.640488 512.8238       60.90022 509.8539       93.08514 515.0463       80.52547 76.58466 7.202257 77.15923 6.162862 -0.5745697     9.479102 
1 1 1 4   1  24 o 176.7529 3.840722 2675.837       115.9261 2657.634       164.4378 2693.824       163.4552 175.8681 5.475359 177.0756 5.405528 -1.207520      7.694108 
1 1 1 4   1  25 o 56.24937 5.713964 275.3358       54.12347 221.2560       84.34244 313.1961       70.57007 49.30843 10.34662 59.75592 7.051573 -10.44749      12.52107 
1 1 1 4   1  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   1  27 o 78.34101 4.355115 529.9375       58.03271 481.4311       85.13050 572.0469       79.31866 74.05346 6.808146 81.07185 5.766932 -7.018394      8.922351 
1 1 1 4   1  28 o 64.52747 4.914165 362.0218       53.74265 316.3416       79.25412 400.9074       73.12276 59.39463 8.018990 67.51214 6.419904 -8.117508      10.27226 
1 1 1 4   1  29 o 32.91045 8.406139 100.3486       47.41201 131.4635       71.67130 76.13736       63.22214 37.32079 10.69536 29.79204 10.25892 7.528748       14.82013 
1 1 1 4   1  30 o 54.90002 5.927137 267.3236       54.68571 216.4474       79.67672 312.6343       75.19249 47.69526 10.09719 58.72134 7.682780 -11.02608      12.68773 
1 1 1 4   1  31 o 70.16026 5.669424 435.2742       67.34501 315.5236       103.5188 523.1450       88.67531 56.96849 11.03965 76.36318 6.873787 -19.39470      13.00472 
1 1 1 4   2  0  o 406.4246 7.630990 14132.09       529.6180 14078.77       748.9634 14185.42       749.0225 405.2450 10.82283 406.7831 10.78276 -1.538055      15.27749 
1 1 1 4   2  1  o 157.8351 4.347155 2128.529       117.1684 2160.048       165.6990 2097.009       165.7034 158.9460 6.104759 156.6062 6.196128 2.339737       8.698280 
1 1 1 4   2  2  o 475.1613 8.663676 19335.58       702.9836 19481.70       994.1776 19189.47       994.1603 476.2468 12.22447 472.6399 12.31754 3.606934       17.35395 
1 1 1 4   2  3  o 257.2091 4.226981 5653.341       185.6601 5447.497       312.3219 5765.832       230.8826 252.2798 7.249665 259.6998 5.206163 -7.419922      8.925344 
1 1 1 4   2  4  o 214.6129 3.729418 3935.771       136.6781 3952.886       193.4051 3918.696       193.1790 214.9937 5.267932 214.0608 5.284706 0.9329071      7.461851 
1 1 1 4   2  5  o 109.7748 2.681891 1029.410       50.27427 1010.075       71.32015 1048.505       70.87901 108.7113 3.841810 110.7627 3.747332 -2.051437      5.366749 
1 1 1 4   2  6  o 43.46233 3.580688 162.5172       26.33898 171.3904       37.56077 153.9327       36.94476 44.48304 5.033242 42.09682 5.253634 2.386211       7.275589 
1 1 1 4   2  7  o 394.4775 5.243354 13305.57       353.2103 13653.35       499.5974 12958.03       499.4323 399.3297 7.326333 388.9999 7.518396 10.32977       10.49769 
1 1 1 4   2  8  o 490.7361 6.915824 20599.04       579.5540 20815.16       810.8756 20373.36       828.6391 492.8884 9.633934 487.5728 9.952314 5.315674       13.85140 
1 1 1 4   2  9  o 265.0933 4.345788 6003.668       196.7294 6272.710       278.3323 5735.071       278.1025 270.8974 6.016680 259.0149 6.287503 11.88248       8.702478 
1 1 1 4   2  10 o 841.6774 10.92380 60696.87       1570.079 59322.06       2220.429 62071.68       2220.425 830.5800 15.65502 849.7449 15.30190 -19.16492      21.89127 
1 1 1 4   2  11 o 133.8721 3.210103 1530.700       73.38563 1467.908       103.9957 1592.981       103.5715 131.0748 4.646161 136.5486 4.441720 -5.473862      6.427728 
1 1 1 4   2  12 o 500.8167 5.801231 21439.76       496.1362 21475.23       701.7960 21404.32       701.4892 500.9482 8.203820 500.1191 8.213828 0.8291016      11.60903 
1 1 1 4   2  13 f 455.3009 6.210241 17725.82       482.8463 17301.69       682.8922 18149.84       682.8035 449.4741 8.897041 460.3917 8.684930 -10.91766      12.43324 
1 1 1 4   2  14 o 320.8965 4.389726 8800.236       240.5494 8826.086       340.5250 8774.489       339.8525 321.2225 6.207850 320.2816 6.213790 0.9408569      8.783426 
1 1 1 4   2  15 o 277.2670 3.816853 6569.681       180.7197 6849.495       257.0299 6296.109       254.1470 282.9947 5.318674 271.3076 5.485560 11.68713       7.640658 
1 1 1 4   2  16 o 136.0268 3.959104 1581.731       91.96516 1592.008       114.1417 1562.716       155.2653 136.4253 4.899453 135.0563 6.732208 1.368942       8.326299 
1 1 1 4   2  17 o 229.8834 3.962717 4518.878       155.5617 4596.136       220.6231 4442.491       219.3770 231.6721 5.576674 227.7592 5.640442 3.912872       7.931827 
1 1 1 4   2  18 o 256.0362 5.420625 5615.525       237.0023 5712.702       336.0624 5519.371       334.2885 257.8300 7.632812 253.4099 7.724954 4.420135       10.85978 
1 1 1 4   2  19 o 358.7780 5.254713 11030.05       321.9413 10811.13       455.2409 11249.08       455.3465 354.5368 7.519312 361.6976 7.372154 -7.160858      10.53037 
1 1 1 4   2  20 o 93.91187 4.201103 754.9697       67.37297 781.7852       92.69519 724.9399       98.09335 95.29145 5.722932 91.66492 6.304979 3.626526       8.514970 
1 1 1 4   2  21 f 126.7645 3.997705 1375.578       86.53867 1561.664       150.5264 1283.709       105.7647 134.7767 6.540278 122.3635 5.061591 12.41319       8.270123 
1 1 1 4   2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   2  23 o 138.5605 3.847542 1643.761       91.03846 1737.232       131.8042 1558.484       125.8947 142.2537 5.425798 134.7305 5.471917 7.523239       7.705917 
1 1 1 4   2  24 o 103.3312 5.546252 920.3885       97.50854 1169.594       139.6639 683.4011       136.1973 116.1966 7.072291 88.20599 9.176415 27.99065       11.58550 
1 1 1 4   2  25 o 233.6652 4.162402 4685.255       166.0887 4713.221       237.4525 4658.467       232.3988 233.7543 5.948607 232.4292 5.855193 1.325027       8.346808 
1 1 1 4   2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   2  27 o 110.0918 3.893229 1041.865       73.19252 1065.426       109.2271 1022.663       98.60558 110.7332 5.796467 108.7587 5.309278 1.974495       7.860500 
1 1 1 4   2  28 o 40.89277 6.751849 149.8239       45.50323 259.0694       72.42249 78.56874       58.48977 53.58868 8.172709 29.99493 9.864810 23.59375       12.81045 
1 1 1 4   2  29 o 40.12306 8.453094 148.8725       56.08972 170.8436       84.52819 131.5875       74.97413 42.16878 11.44545 37.30991 11.01103 4.858875       15.88210 
1 1 1 4   2  30 o 37.01178 9.618844 130.1912       61.35175 121.7929       91.25291 137.1189       82.87923 36.15084 12.32868 37.73656 11.67241 -1.585720      16.97768 
1 1 1 4   2  31 o 51.30789 8.085896 243.1389       68.50024 280.5587       107.5248 217.5782       88.86784 52.93028 12.15271 46.96204 11.23260 5.968239       16.54871 
1 1 1 4   3  0  o 191.0458 5.174936 3119.721       168.8280 3186.266       238.7629 3053.181       238.7547 192.9726 7.245517 188.8908 7.401830 4.081741       10.35783 
1 1 1 4   3  1  o 242.3369 5.461354 5020.815       226.0069 4968.189       319.6191 5073.443       319.6251 240.9037 7.769398 243.4487 7.688318 -2.545090      10.93041 
1 1 1 4   3  2  o 167.4915 4.030448 2397.199       115.2784 2410.827       166.9957 2384.794       159.3309 167.8940 5.824628 166.9961 5.587168 0.8978424      8.071106 
1 1 1 4   3  3  o 272.2475 5.600365 6340.082       260.3647 6032.708       368.1681 6647.601       368.2546 265.2980 8.126626 278.5399 7.742103 -13.24188      11.22418 
1 1 1 4   3  4  o 104.9049 3.342811 940.3490       59.88382 896.2933       101.7164 963.7193       74.08363 102.1723 5.854217 106.1808 4.085773 -4.008507      7.139005 
1 1 1 4   3  5  o 180.1601 3.770213 2773.978       115.9915 3068.098       195.0411 2613.036       144.2778 189.3298 6.032610 174.8021 4.833383 14.52773       7.730070 
1 1 1 4   3  6  o 96.82625 2.720835 800.8315       44.98806 810.7099       64.56751 791.5109       62.71823 97.40036 3.881964 96.24153 3.816184 1.158829       5.443612 
1 1 1 4   3  7  o 593.2221 8.178510 30132.76       828.5017 30318.48       1171.768 29947.10       1171.588 594.2115 11.54779 590.5407 11.61778 3.670776       16.38061 
1 1 1 4   3  8  o 298.5125 4.868021 7614.335       248.1516 7629.800       351.1052 7598.900       350.7737 298.7005 6.883343 298.0946 6.890821 0.6059570      9.739806 
1 1 1 4   3  9  o 963.7078 13.57766 79722.95       2234.458 77413.16       2774.269 83988.22       3769.954 948.1489 17.13445 984.6313 22.42128 -36.48242      28.21885 
1 1 1 4   3  10 o 259.4330 4.482492 5750.189       198.5851 5908.439       281.3224 5593.017       280.3633 262.9035 6.266225 255.7824 6.418724 7.121155       8.970262 
1 1 1 4   3  11 o 437.6072 5.900993 16369.05       440.9725 16497.90       623.7185 16240.27       623.5402 439.0856 8.318356 435.6364 8.381823 3.449280       11.80889 
1 1 1 4   3  12 o 364.5058 5.332389 11355.74       331.9160 11354.55       469.6093 11356.94       469.1913 364.3037 7.548683 364.3428 7.541155 -0.3906250E-01 10.67013 
1 1 1 4   3  13 o 423.5886 5.921656 15341.94       428.3407 15461.96       606.1119 15222.19       605.4191 424.9426 8.352580 421.6268 8.408645 3.315796       11.85204 
1 1 1 4   3  14 o 337.0005 4.332198 9706.244       249.3106 9559.220       352.7930 9852.912       352.3643 334.2719 6.180421 339.3788 6.080023 -5.106842      8.669734 
1 1 1 4   3  15 o 117.8863 3.425828 1187.479       68.96532 1014.301       113.9316 1287.631       86.64199 108.6865 6.163933 122.7359 4.133853 -14.04938      7.421780 
1 1 1 4   3  16 o 212.4140 3.744872 3856.854       135.8382 3757.659       194.6504 3951.024       189.6555 209.5321 5.440049 214.8808 5.168517 -5.348633      7.503846 
1 1 1 4   3  17 o 268.3040 5.480456 6164.993       251.0995 6117.185       356.3470 6212.142       353.8824 266.8468 7.820043 268.9337 7.705693 -2.086975      10.97865 
1 1 1 4   3  18 o 334.7535 4.676280 9592.209       267.3177 9380.724       378.1143 9803.537       377.9743 330.6049 6.697487 338.0117 6.548300 -7.406891      9.366780 
1 1 1 4   3  19 o 172.4338 3.461953 2542.813       101.9402 2572.352       144.0282 2513.161       144.3026 173.2967 4.866932 171.2838 4.933509 2.012924       6.930119 
1 1 1 4   3  20 o 158.5042 3.616523 2149.340       97.88899 1939.139       135.2349 2380.691       141.8756 150.3892 5.265869 166.6699 4.984810 -16.28072      7.251049 
1 1 1 4   3  21 o 259.2149 14.31421 5946.771       631.1650 6112.766       887.3456 5776.783       897.9534 258.3256 20.27809 250.3044 21.20729 8.021194       29.34196 
1 1 1 4   3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   3  23 o 79.06429 5.531290 539.3960       74.21028 596.5959       93.76332 443.4850       121.4142 82.98149 6.673254 70.65479 10.37170 12.32671       12.33306 
1 1 1 4   3  24 o 117.4543 3.958832 1182.177       79.40320 1213.724       115.1385 1153.567       109.6487 118.7847 5.676205 115.8234 5.543772 2.961372       7.934274 
1 1 1 4   3  25 o 54.31260 8.271929 262.6400       74.29697 342.8635       102.3828 173.3979       107.9844 61.68813 10.06627 43.63323 13.29340 18.05490       16.67466 
1 1 1 4   3  26 f 124.3668 3.814558 1327.880       81.01220 1290.638       118.2499 1360.821       111.2109 122.2083 5.666281 125.6095 5.184690 -3.401184      7.680348 
1 1 1 4   3  27 o 57.62054 5.229722 289.3479       50.89807 358.8070       76.41823 233.9665       68.23615 63.70302 7.148149 51.00334 8.105751 12.69968       10.80737 
1 1 1 4   3  28 o 59.57883 6.067441 312.2654       60.86898 327.5155       95.73849 301.9185       78.85939 59.73657 9.719387 57.88257 8.208110 1.854000       12.72162 
1 1 1 4   3  29 o 37.50866 9.084379 131.7855       57.57014 186.9651       83.91078 82.71186       79.13213 44.09355 11.14001 31.56338 11.42129 12.53017       15.95449 
1 1 1 4   3  30 o 49.48450 7.518086 222.9431       61.53107 326.1066       89.83052 131.7586       84.45425 59.24005 9.176632 37.07980 11.82726 22.16025       14.96979 
1 1 1 4   3  31 o 64.73248 5.955939 372.9042       65.09920 372.2455       90.90230 373.5977       93.27177 63.31864 8.631935 63.29611 8.873026 0.2252579E-01  12.37905 
1 1 1 4   4  0  o 86.09054 3.053206 633.1432       44.88627 568.8506       72.74346 672.6738       57.04010 81.39291 5.261822 88.72575 3.764685 -7.332840      6.469901 
1 1 1 4   4  1  o 213.5854 4.622652 3900.027       168.6028 3807.219       243.9818 3984.859       233.2602 210.8749 6.775330 215.7758 6.330470 -4.900864      9.272537 
1 1 1 4   4  2  o 103.3817 4.049750 913.5416       71.49466 860.4773       101.0893 966.6465       101.1281 100.0969 5.940613 106.1449 5.598995 -6.047943      8.163310 
1 1 1 4   4  3  o 245.1795 6.001181 5145.612       251.2596 4989.128       364.1855 5287.758       347.0995 241.0661 8.846766 248.2734 8.186947 -7.207260      12.05369 
1 1 1 4   4  4  f 201.0086 5.346296 3456.402       183.5142 3101.942       265.5258 3780.551       253.9196 190.1822 8.175887 210.0733 7.078209 -19.89113      10.81417 
1 1 1 4   4  5  o 473.0563 8.001254 19176.18       646.3575 18540.21       1074.556 19536.73       809.0955 463.5833 13.57374 477.0191 9.932580 -13.43582      16.81970 
1 1 1 4   4  6  o 236.3025 4.641188 4772.146       187.2835 4995.830       315.4525 4650.383       232.7405 241.5842 7.646513 233.2047 5.844302 8.379486       9.624189 
1 1 1 4   4  7  o 253.3316 5.055382 5484.359       218.6983 5167.572       368.4229 5656.720       271.7574 245.6924 8.781180 257.2263 6.186771 -11.53391      10.74175 
1 1 1 4   4  8  o 290.7867 4.069363 7223.239       202.0705 6947.029       285.9967 7498.578       285.5455 285.0977 5.874424 296.2105 5.645117 -11.11279      8.147160 
1 1 1 4   4  9  o 173.7966 3.560285 2579.980       105.6642 2599.262       150.0212 2560.998       148.8492 174.4122 5.037021 173.1237 5.034866 1.288498       7.121900 
1 1 1 4   4  10 o 299.3564 3.615477 7654.666       184.8230 7772.103       262.5219 7539.250       260.2514 301.5832 5.097491 297.0295 5.130876 4.553680       7.232586 
1 1 1 4   4  11 o 396.4539 5.016929 13431.57       339.6507 14355.41       481.1281 12513.77       479.5531 409.7082 6.876764 382.4834 7.342133 27.22485       10.05966 
1 1 1 4   4  12 o 314.8393 4.193267 8469.147       225.4465 8543.118       319.4394 8395.739       318.2230 316.1068 5.917698 313.3663 5.946719 2.740479       8.389435 
1 1 1 4   4  13 o 607.2437 8.598116 31591.23       891.5963 32678.08       1100.467 29514.77       1521.090 617.1063 10.44276 584.8411 15.23053 32.26514       18.46673 
1 1 1 4   4  14 o 280.6551 4.666151 6733.820       223.6318 6764.590       376.0154 6716.980       278.1776 280.9756 7.836736 280.2070 5.813547 0.7685242      9.757651 
1 1 1 4   4  15 o 60.27981 5.784307 313.8418       58.81109 386.5728       89.13551 257.7705       78.26385 66.66386 7.989084 54.11649 8.769010 12.54737       11.86259 
1 1 1 4   4  16 o 309.9727 4.718816 8220.292       249.7804 8205.684       353.8615 8234.798       352.6274 309.3836 6.697830 309.9386 6.662520 -0.5549316     9.447227 
1 1 1 4   4  17 f 303.9897 4.494094 7907.290       233.2937 8015.243       330.5435 7800.138       329.3141 305.7332 6.331172 301.5899 6.394281 4.143280       8.998364 
1 1 1 4   4  18 o 348.1311 4.884153 10378.48       290.3582 10853.97       411.5633 9907.287       409.7000 355.5338 6.778816 339.5929 7.064890 15.94092       9.791069 
1 1 1 4   4  19 o 130.3426 3.356885 1452.889       74.71790 1496.575       107.3670 1411.864       104.0454 132.1823 4.756588 128.3878 4.745667 3.794510       6.719113 
1 1 1 4   4  20 o 315.6229 4.684972 8534.785       252.5093 8496.495       356.7741 8573.216       357.4310 314.3719 6.645806 315.7938 6.628064 -1.421875      9.386052 
1 1 1 4   4  21 f 225.3282 14.11266 4495.941       540.2940 4341.314       763.4282 4651.106       764.7558 216.9046 20.86849 225.1569 20.10141 -8.252350      28.97517 
1 1 1 4   4  22 o 92.69103 4.191154 735.8439       66.33965 697.8607       93.25214 774.7640       94.39517 89.90807 6.110027 94.79376 5.860075 -4.885689      8.465984 
1 1 1 4   4  23 f 126.2535 3.838691 1364.942       82.76154 1293.966       120.7714 1427.783       113.6389 122.7052 5.763674 128.9771 5.159559 -6.271881      7.735696 
1 1 1 4   4  24 o 114.1106 5.816171 1124.116       112.9593 1015.182       161.4709 1228.524       158.0802 107.6354 8.863708 118.7879 7.837013 -11.15249      11.83149 
1 1 1 4   4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   4  26 o 116.3804 5.316110 1169.520       105.6515 1391.135       159.3058 995.5112       141.1618 126.0545 7.433576 106.4193 7.822574 19.63522       10.79123 
1 1 1 4   4  27 o 141.5642 3.969722 1724.325       95.96556 1632.142       140.2833 1805.409       131.5672 137.0578 5.993773 144.4090 5.335212 -7.351135      8.024325 
1 1 1 4   4  28 o 147.2936 3.948462 1869.536       99.31474 1834.321       142.9222 1902.418       138.1061 145.1492 5.766114 147.9640 5.465815 -2.814804      7.945011 
1 1 1 4   4  29 o 72.31602 5.313001 458.1783       65.15159 349.3480       89.98334 578.0958       94.45580 61.71033 8.787097 80.59109 6.930834 -18.88076      11.19149 
1 1 1 4   4  30 o 90.26682 4.620706 709.9962       70.98721 697.2493       100.8089 722.5338       99.97837 88.46777 6.723162 90.16660 6.537613 -1.698822      9.377702 
1 1 1 4   4  31 o 99.03676 4.653654 855.7064       78.70320 800.0862       114.0791 906.2238       108.7204 94.18299 7.146303 100.8243 6.346968 -6.641281      9.557911 
1 1 1 4   5  0  o 31.57285 4.082072 86.63291       21.49344 61.59373       33.27771 104.5546       28.15349 26.38841 7.189350 34.62256 4.898529 -8.234152      8.699560 
1 1 1 4   5  1  o 252.0887 4.235581 5432.717       182.3343 5539.133       314.4828 5378.831       223.7875 254.2428 7.243466 250.7542 5.226194 3.488525       8.932015 
1 1 1 4   5  2  o 109.3688 3.941648 1022.369       73.61614 990.5666       110.0177 1048.152       99.06018 107.4125 6.022279 110.6953 5.240441 -3.282867      7.983111 
1 1 1 4   5  3  o 217.7200 4.872934 4053.008       181.1719 4313.846       256.3320 3792.643       256.0996 224.4778 6.686941 210.4429 7.126441 14.03488       9.772479 
1 1 1 4   5  4  o 279.6010 6.455624 6688.677       308.2328 6740.373       445.6832 6641.281       426.7472 280.3696 9.308794 278.3424 8.978204 2.027222       12.93297 
1 1 1 4   5  5  o 454.2260 9.583295 17680.44       743.3422 17894.24       1073.617 17483.58       1030.215 456.0811 13.78496 450.9151 13.37923 5.165955       19.21012 
1 1 1 4   5  6  o 86.33796 3.043059 636.6583       44.86566 698.2457       77.67993 605.8293       54.95949 90.25181 5.060649 84.21430 3.821685 6.037506       6.341565 
1 1 1 4   5  7  o 565.4786 8.822259 27365.21       851.9183 26563.52       1436.777 27799.88       1057.957 555.8999 15.13529 569.6134 10.87641 -13.71350      18.63796 
1 1 1 4   5  8  o 220.6864 5.258698 4161.772       198.1782 4197.003       334.7565 4142.762       245.8992 221.4527 8.852093 220.1326 6.541400 1.320129       11.00679 
1 1 1 4   5  9  o 645.0780 9.189995 35623.66       1012.347 35644.81       1684.683 35611.71       1266.518 643.7659 15.32457 644.4892 11.50784 -0.7233276     19.16437 
1 1 1 4   5  10 o 327.5381 5.017375 9167.707       280.6340 9061.543       475.3445 9224.508       347.6957 325.3754 8.555037 328.4785 6.198555 -3.103149      10.56460 
1 1 1 4   5  11 o 216.1289 4.008086 3990.760       147.9285 4205.112       212.2681 3788.360       206.2659 221.7944 5.604441 210.5112 5.737863 11.28319       8.020775 
1 1 1 4   5  12 f 324.5071 5.160372 9001.606       285.9612 9012.783       356.9026 8981.564       477.9115 324.6046 6.438625 323.8098 8.642823 0.7948303      10.77749 
1 1 1 4   5  13 o 266.6529 5.044048 6079.380       229.6822 6466.753       388.4768 5871.195       284.7899 274.6987 8.281454 261.9412 6.366767 12.75751       10.44597 
1 1 1 4   5  14 o 163.8795 4.210745 2295.780       117.8380 2495.391       160.4687 2062.160       173.6013 170.7847 5.502242 155.1885 6.550755 15.59613       8.554942 
1 1 1 4   5  15 o 425.1603 5.969871 15479.41       433.4305 15607.39       613.4565 15351.84       612.4713 426.2934 8.427005 422.7724 8.483541 3.520966       11.95763 
1 1 1 4   5  16 o 158.8036 3.330137 2155.645       90.30763 2238.595       128.3875 2074.412       127.0516 161.7447 4.648264 155.6908 4.778761 6.053894       6.666552 
1 1 1 4   5  17 o 246.8369 4.124732 5212.481       173.8632 5205.389       246.1899 5219.537       245.5707 246.4246 5.850383 246.7630 5.827665 -0.3384094     8.257643 
1 1 1 4   5  18 o 126.0206 3.191289 1357.826       68.67673 1340.472       97.36704 1375.008       96.88188 125.1246 4.556879 126.7323 4.476653 -1.607681      6.387923 
1 1 1 4   5  19 o 243.1091 4.032367 5058.483       167.4029 5155.203       236.7160 4961.719       236.7711 245.1373 5.654786 240.4706 5.765868 4.666733       8.076003 
1 1 1 4   5  20 o 94.62173 14.37928 806.1500       225.0300 744.6561       302.1740 882.7152       337.1764 88.83702 20.35512 96.62342 21.03188 -7.786400      29.26894 
1 1 1 4   5  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   5  22 o 35.96640 6.915987 115.1148       40.93424 150.6752       57.85482 79.46833       57.92477 40.99054 8.542269 30.56950 9.799712 10.42103       13.00018 
1 1 1 4   5  23 o 94.44952 4.016819 764.3447       64.78643 813.2064       90.38629 712.7168       92.90949 97.12565 5.471918 90.81133 6.025477 6.314323       8.139303 
1 1 1 4   5  24 o 89.58265 4.145885 688.5420       63.42247 629.6158       92.17451 741.5235       87.40152 85.15020 6.385537 92.62593 5.551259 -7.475731      8.461179 
1 1 1 4   5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   5  26 o 132.9543 4.603387 1523.191       104.5158 1434.004       125.7141 1722.809       188.0766 128.6843 5.720795 139.9579 7.901594 -11.27357      9.755136 
1 1 1 4   5  27 o 79.57404 4.988266 549.7346       67.44067 568.4252       97.32034 532.4668       93.54279 80.22514 7.179721 77.64288 7.134989 2.582260       10.12208 
1 1 1 4   5  28 o 76.66990 4.920135 511.7346       64.07741 500.5926       92.20245 522.1429       89.11469 74.97614 7.293743 76.76118 6.871071 -1.785042      10.02049 
1 1 1 4   5  29 o 66.71644 5.482468 391.4346       61.90877 470.4473       89.31410 318.3630       85.89067 72.39575 7.325266 58.75937 8.833168 13.63638       11.47538 
1 1 1 4   5  30 o 95.12879 4.874692 791.0839       78.92231 738.8357       116.2841 835.7060       107.4631 90.43680 7.600093 96.89875 6.532526 -6.461952      10.02174 
1 1 1 4   6  0  o 391.5641 5.507696 13113.29       368.2771 12987.32       515.6792 13244.42       526.1227 389.3557 7.755881 393.1770 7.836047 -3.821350      11.02530 
1 1 1 4   6  1  o 181.3760 4.033309 2811.194       124.9232 2792.033       215.8078 2820.851       153.2002 180.6067 6.997314 181.6497 4.938816 -1.043015      8.564713 
1 1 1 4   6  2  o 71.86127 3.325874 441.1426       40.81338 415.5831       69.01347 454.8893       50.61240 69.46467 5.872953 72.84866 4.084969 -3.383987      7.153919 
1 1 1 4   6  3  o 210.9640 4.026722 3802.449       145.0648 3600.290       248.5203 3906.927       178.6601 205.1429 7.094199 213.8104 4.893244 -8.667450      8.618092 
1 1 1 4   6  4  o 329.2169 6.391845 9266.933       359.3440 9349.396       519.4784 9191.268       497.6053 330.4337 9.206218 327.6587 8.893267 2.774963       12.80018 
1 1 1 4   6  5  o 399.1320 7.038141 13622.58       479.7073 12947.64       692.8124 14244.17       664.8673 388.7681 10.43574 407.8788 9.545571 -19.11066      14.14293 
1 1 1 4   6  6  o 669.8996 12.64304 38496.88       1446.316 38737.79       2088.134 38274.73       2005.185 670.3000 18.24262 666.4990 17.61786 3.801025       25.36104 
1 1 1 4   6  7  o 313.7908 6.288179 8417.252       336.9512 7754.098       583.9224 8748.309       412.5712 300.7697 11.36892 319.8176 7.554307 -19.04782      13.64990 
1 1 1 4   6  8  o 407.6514 7.055902 14211.37       491.1831 12889.09       851.2646 14871.32       601.3937 387.5135 12.86399 416.8667 8.448113 -29.35318      15.39003 
1 1 1 4   6  9  o 442.6761 6.076351 16752.79       459.3363 16129.08       776.1165 17089.04       569.8566 433.8229 10.47641 446.9541 7.466219 -13.13120      12.86466 
1 1 1 4   6  10 o 453.0892 7.243895 17562.54       560.4770 16729.15       945.7169 18013.72       695.8456 441.3482 12.54810 458.6468 8.884493 -17.29855      15.37495 
1 1 1 4   6  11 o 175.8529 4.376432 2642.578       131.4231 2390.750       437.4683 2667.560       137.7878 165.7521 15.64049 176.6757 4.567010 -10.92360      16.29363 
1 1 1 4   6  12 o 291.6740 6.743750 7281.247       335.8932 6971.487       465.6292 7617.334       485.0129 285.0582 9.565434 297.9749 9.531728 -12.91669      13.50375 
1 1 1 4   6  13 o 276.6952 4.506985 6545.452       212.9559 6294.819       302.1747 6792.763       300.1655 271.1529 6.525922 281.7063 6.239679 -10.55338      9.028913 
1 1 1 4   6  14 o 435.9576 6.205009 16277.17       461.9432 16428.32       654.1465 16126.81       652.4296 437.3195 8.759398 433.2704 8.818054 4.049164       12.42920 
1 1 1 4   6  15 o 184.8071 3.326209 2919.246       104.9712 3106.567       151.7333 2747.297       145.3742 190.5466 4.663133 179.1828 4.751043 11.36377       6.657118 
1 1 1 4   6  16 o 46.32241 4.530645 185.3757       35.37994 94.97975       58.24031 238.2459       44.54042 32.92072 9.701642 52.51101 5.028582 -19.59029      10.92742 
1 1 1 4   6  17 o 165.5816 3.304868 2344.238       93.44761 2299.468       133.9386 2386.700       130.4406 163.8676 4.786419 166.9680 4.574857 -3.100342      6.621112 
1 1 1 4   6  18 o 240.6136 3.888480 4953.997       159.7725 5007.436       227.2610 4901.771       224.6662 241.6443 5.507399 239.0821 5.502864 2.562225       7.785432 
1 1 1 4   6  19 o 35.57713 5.938198 111.5600       34.80512 -7.871695      50.57378 219.0233       47.97288 19.15517 8.319048 50.20143 5.696876 -31.04626      10.08271 
1 1 1 4   6  20 o 118.0166 38.33608 1533.730       884.3340 0.000000       0.000000 1533.730       884.3340 ?        ?        118.0166 38.33608 0.000000       38.33608 
1 1 1 4   6  21 o 17.57902 7.201258 9.075823       34.46081 9.129015       57.94187 9.046709       42.86638 22.11687 9.224604 19.32136 7.985944 2.795513       12.20117 
1 1 1 4   6  22 o 205.0000 3.819752 3598.461       133.7184 3707.914       192.9314 3497.277       185.5001 207.7914 5.437176 201.8146 5.382569 5.976730       7.650812 
1 1 1 4   6  23 o 199.2049 3.794721 3400.234       129.0868 3497.318       185.5926 3309.253       179.6643 201.6669 5.389199 196.1765 5.363064 5.490387       7.603021 
1 1 1 4   6  24 o 71.35110 4.431846 439.1010       53.73220 488.6270       72.46374 378.6111       80.08402 75.04613 5.696969 65.65149 7.265084 9.394638       9.232384 
1 1 1 4   6  25 o 83.29446 5.218881 600.9462       73.85793 630.7003       107.7535 574.5797       101.4344 84.70298 7.528030 80.84835 7.430185 3.854630       10.57728 
1 1 1 4   6  26 o 116.9692 4.090608 1177.471       81.70741 1148.538       113.9898 1208.047       117.1796 114.9177 5.827747 118.0046 5.815020 -3.086891      8.232684 
1 1 1 4   6  27 o 114.0388 6.993337 1145.010       135.5305 1151.066       191.4422 1138.924       191.8968 112.5554 10.06649 111.8986 10.15302 0.6567917      14.29749 
1 1 1 4   6  28 o 68.60777 5.431694 412.7018       63.11689 416.3615       90.64508 409.2573       87.93797 67.91855 7.966774 67.41134 7.782071 0.5072098      11.13688 
1 1 1 4   6  29 o 22.86360 9.846314 4.122609       69.65881 8.567014       101.5610 0.1744878      95.72284 27.26442 11.81485 26.03837 11.37447 1.226044       16.40028 
1 1 1 4   6  30 o 22.86784 9.490234 20.35353       60.89092 103.7318       82.44908 -79.68774      90.31271 33.48257 11.70487 20.77303 9.794611 12.70954       15.26232 
1 1 1 4   7  0  o 322.2822 4.666565 8875.126       256.8240 9037.950       359.5210 8705.455       367.0024 325.1108 6.475762 319.0555 6.735980 6.055359       9.343925 
1 1 1 4   7  1  o 242.0445 4.129994 5005.027       170.7052 4760.279       242.6660 5244.787       240.1803 235.9777 6.021936 247.7122 5.677902 -11.73454      8.276611 
1 1 1 4   7  2  o 349.7941 5.635188 10457.52       336.6067 10612.34       566.9432 10373.24       418.3164 352.0587 9.430234 348.2851 7.033446 3.773682       11.76430 
1 1 1 4   7  3  o 118.1728 3.392340 1192.771       68.45717 1152.377       117.8095 1213.364       84.11584 115.9592 5.969652 119.1786 4.133116 -3.219353      7.260812 
1 1 1 4   7  4  f 399.9228 6.803288 13674.79       464.6190 13693.53       804.3704 13665.41       569.1718 399.6481 11.78627 399.6477 8.339963 0.4272461E-03  14.43853 
1 1 1 4   7  5  o 171.5141 3.814977 2512.831       111.7362 2556.234       189.5302 2489.709       138.3323 172.9193 6.418492 170.7027 4.745495 2.216644       7.982278 
1 1 1 4   7  6  o 357.0410 6.369730 10898.39       388.3658 10851.38       573.1738 10938.29       528.0602 355.9998 9.428328 357.5016 8.649748 -1.501831      12.79498 
1 1 1 4   7  7  o 307.4179 6.143714 8079.236       322.5240 8276.412       467.0495 7899.497       445.9196 310.9438 8.795876 303.7984 8.595461 7.145386       12.29835 
1 1 1 4   7  8  o 199.9058 3.613384 3413.682       123.3506 3140.468       211.3175 3554.888       151.9183 191.6424 6.457166 203.9769 4.361412 -12.33458      7.792105 
1 1 1 4   7  9  o 506.2011 9.147903 21949.40       790.7634 20364.62       1143.051 23404.02       1095.106 486.5947 13.75613 522.0288 12.28456 -35.43414      18.44293 
1 1 1 4   7  10 o 211.7882 5.181141 3834.386       187.3826 3770.163       886.0975 3837.393       191.7183 205.6380 25.80147 211.8654 5.299095 -6.227386      26.34001 
1 1 1 4   7  11 o 278.8988 7.081988 6659.493       337.2903 6373.792       487.7578 6921.311       466.9250 272.4120 10.48518 284.0030 9.627694 -11.59094      14.23487 
1 1 1 4   7  12 o 120.8786 3.461298 1248.554       71.44804 1284.098       124.7932 1231.222       87.14422 122.4936 5.965893 120.0130 4.252148 2.480621       7.326161 
1 1 1 4   7  13 o 318.1438 5.643809 8663.753       306.6181 8428.828       517.9289 8790.515       380.4515 313.0399 9.688767 320.2550 6.956672 -7.215118      11.92759 
1 1 1 4   7  14 o 96.31589 3.646059 793.0771       59.96856 712.3624       104.7397 832.4400       73.14391 90.89075 6.797435 98.65118 4.341841 -7.760429      8.065773 
1 1 1 4   7  15 o 123.9241 3.637554 1313.147       76.97807 1307.764       132.4364 1315.894       94.59924 123.3309 6.309430 124.0079 4.467209 -0.6770706     7.730774 
1 1 1 4   7  16 o 79.19167 3.723320 536.3889       50.35143 603.6370       94.97126 510.0958       59.38452 83.58302 6.710410 77.06194 4.532607 6.521080       8.097785 
1 1 1 4   7  17 o 134.8217 3.318069 1554.393       76.39188 1473.839       109.9855 1629.474       106.1837 131.1617 4.910506 137.9497 4.507492 -6.788025      6.665625 
1 1 1 4   7  18 o 13.99586 6.188399 -9.515825      29.13189 38.67935       58.32102 -25.53888      33.62761 25.35488 9.680338 13.65020 6.278494 11.70467       11.53813 
1 1 1 4   7  19 f 151.4162 12.55486 2021.926       321.6997 2374.420       432.5826 1585.756       481.1944 162.7355 15.76390 129.4166 22.59568 33.31892       27.55114 
1 1 1 4   7  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   7  21 o 270.1145 4.380245 6252.344       202.0450 6458.030       288.3286 6053.896       283.2098 274.0365 6.161370 265.2957 6.251383 8.740784       8.777372 
1 1 1 4   7  22 o 188.4975 3.772144 3043.485       121.4215 3156.351       174.7373 2938.101       168.8462 191.6542 5.339065 184.9076 5.347301 6.746628       7.556404 
1 1 1 4   7  23 f 107.3283 3.858177 987.8256       70.71287 1097.481       106.7115 901.9784       94.41913 112.8708 5.536403 102.2021 5.429488 10.66869       7.754424 
1 1 1 4   7  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   7  25 o 48.88815 7.100869 212.5847       57.54746 200.9438       94.25180 219.5038       72.66449 46.24875 11.87332 49.14743 8.989303 -2.898685      14.89239 
1 1 1 4   7  26 o 69.91507 5.486128 426.4061       64.97375 582.7843       105.5512 330.9991       82.44511 81.02982 7.721509 60.73109 8.155845 20.29873       11.23118 
1 1 1 4   7  27 o 48.40597 7.875803 212.6461       62.86390 309.8939       111.5434 167.3802       76.10088 56.87703 11.86807 42.00679 10.60681 14.87024       15.91714 
1 1 1 4   7  28 o 79.45161 5.190739 552.4845       70.03906 583.0141       108.4740 530.6570       91.72079 80.30798 8.016932 77.07426 7.046746 3.233719       10.67370 
1 1 1 4   7  29 o 104.5723 7.219965 980.4924       128.1402 677.0244       191.8306 1225.003       172.1911 81.37089 14.32871 115.6476 8.784772 -34.27670      16.80726 
1 1 1 4   7  30 o 95.54733 7.161001 824.4120       115.9909 1102.660       203.1671 689.8643       141.2783 106.4361 11.35317 85.30812 9.880949 21.12796       15.05084 
1 1 1 4   8  0  o 574.7410 7.729408 28255.53       758.6132 27826.84       1085.474 28664.83       1060.639 569.8060 11.15554 578.4020 10.73831 -8.596008      15.48410 
1 1 1 4   8  1  o 179.0995 3.288284 2739.706       100.5693 2861.370       144.9764 2626.855       139.6274 183.0031 4.639133 175.3429 4.663163 7.660278       6.577739 
1 1 1 4   8  2  o 426.2503 6.400772 15532.82       465.9066 16130.82       785.1629 15207.82       578.8263 433.9012 10.59661 421.6136 8.039549 12.28754       13.30122 
1 1 1 4   8  3  o 474.1449 6.676940 19222.23       540.6180 18584.38       936.0481 19541.50       662.2359 465.5231 11.77484 477.9064 8.114615 -12.38327      14.30013 
1 1 1 4   8  4  o 250.8600 4.301319 5376.449       184.2617 4603.844       315.9074 5774.835       226.8471 231.9673 7.975006 259.9561 5.110122 -27.98875      9.471751 
1 1 1 4   8  5  o 61.42993 5.942027 325.5952       61.55409 495.7815       99.42615 219.8291       78.38118 75.72455 7.800501 49.83497 9.558074 25.88958       12.33712 
1 1 1 4   8  6  o 429.6488 6.271482 15783.54       460.1354 15819.78       796.6101 15765.40       563.6787 429.5442 10.86016 429.2513 7.689854 0.2928467      13.30702 
1 1 1 4   8  7  o 478.9742 6.655063 19621.27       544.3348 19932.47       955.5403 19471.77       662.3052 481.9298 11.61083 476.9481 8.131770 4.981720       14.17523 
1 1 1 4   8  8  o 319.0948 7.343951 8713.598       400.1764 9060.875       451.9184 7452.208       861.2833 325.3077 8.135116 293.1005 17.28438 32.20721       19.10314 
1 1 1 4   8  9  o 273.4667 7.527059 6403.078       351.5052 5433.896       1263.603 6484.365       365.9492 244.9394 30.89736 275.1702 7.787849 -30.23079      31.86373 
1 1 1 4   8  10 o 284.4380 4.521766 6916.099       219.6330 6928.483       382.8960 6910.026       268.1301 284.3493 7.885456 284.2302 5.524251 0.1190491      9.627967 
1 1 1 4   8  11 o 422.6229 6.342962 15292.18       457.7697 15205.52       795.2673 15335.12       559.8128 420.2439 11.08179 422.9301 7.751261 -2.686127      13.52361 
1 1 1 4   8  12 o 61.73474 4.096115 327.2877       42.93688 279.0740       81.47096 345.8290       50.52274 56.34124 8.751866 63.41137 4.699155 -7.070126      9.933640 
1 1 1 4   8  13 o 314.1061 5.332345 8447.407       286.0201 7956.908       497.1926 8690.020       349.6735 303.9189 9.579990 318.3853 6.431432 -14.46649      11.53861 
1 1 1 4   8  14 o 118.3606 3.688372 1197.957       74.54932 1145.268       134.2996 1221.422       89.62566 115.3153 6.850800 119.4765 4.392866 -4.161156      8.138227 
1 1 1 4   8  15 o 142.2276 3.731457 1730.190       90.62842 1699.395       158.8709 1745.045       110.3435 140.6954 6.612451 142.7786 4.525657 -2.083206      8.012870 
1 1 1 4   8  16 o 132.7495 3.612681 1507.402       81.89632 1626.131       141.2605 1447.292       100.5120 137.6571 6.009250 130.0082 4.527360 7.648819       7.523834 
1 1 1 4   8  17 o 259.3351 4.673577 5761.761       206.9725 5701.582       350.1191 5794.088       256.6106 257.1537 7.972988 259.8299 5.783403 -2.676178      9.849685 
1 1 1 4   8  18 o 201.2301 12.66843 3562.907       433.1068 3823.533       603.4741 3286.073       621.9550 205.8984 17.32442 189.4456 19.50402 16.45276       26.08720 
1 1 1 4   8  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   8  20 o 70.97229 4.448637 433.3540       53.64351 455.5145       100.4026 424.5009       63.46053 72.11839 8.304277 70.12294 5.339715 1.995445       9.872870 
1 1 1 4   8  21 o 92.88467 4.168119 739.3621       66.11289 557.7018       100.2469 879.1909       87.95068 80.02268 7.420359 101.0671 5.112602 -21.04437      9.011128 
1 1 1 4   8  22 o 136.3360 3.703948 1592.926       86.23376 1728.940       132.5463 1493.102       113.5512 141.7281 5.476583 131.7875 5.045633 9.940613       7.446568 
1 1 1 4   8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   8  24 o 83.92983 4.729948 608.8062       67.51508 586.6750       109.6937 622.3029       85.66306 81.48153 7.986187 84.55885 5.970805 -3.077316      9.971443 
1 1 1 4   8  25 o 106.2467 4.225193 972.3052       76.65911 845.7917       116.5847 1068.667       101.7482 98.11890 7.004062 111.0918 5.363433 -12.97288      8.821752 
1 1 1 4   8  26 o 43.57979 7.817227 172.5070       56.03801 68.99555       96.95342 224.4347       68.67028 31.90092 12.40137 49.65273 8.398337 -17.75182      14.97752 
1 1 1 4   8  27 o 36.10627 9.287156 122.6125       57.58788 142.0528       101.8651 113.4809       69.81519 38.79655 13.02685 34.79424 10.70490 4.002312       16.86101 
1 1 1 4   8  28 o 34.32973 9.865378 111.8766       60.90331 289.8965       103.9466 18.81827       75.15433 54.52155 11.52507 24.80482 10.43623 29.71672       15.54806 
1 1 1 4   8  29 o 56.62217 7.445219 292.6405       70.24358 299.1156       124.7052 289.6313       85.01308 53.56665 13.60648 55.36016 9.323971 -1.793518      16.49463 
1 1 1 4   9  0  o 153.6485 3.745802 2016.667       98.28226 1946.620       140.5513 2083.690       137.4837 150.9165 5.453760 156.1478 5.156007 -5.231308      7.505192 
1 1 1 4   9  1  o 150.3589 3.483771 1931.123       89.45007 1623.025       128.1052 2224.262       124.9565 137.8026 5.443870 161.3447 4.535262 -23.54216      7.085500 
1 1 1 4   9  2  o 433.1939 6.149134 16043.87       454.8814 15871.82       644.3032 16214.85       642.3004 430.5727 8.762779 435.2166 8.642330 -4.643890      12.30757 
1 1 1 4   9  3  o 197.5170 3.526165 3332.539       118.9348 3517.865       169.6406 3153.379       166.7939 202.8926 4.896228 192.0879 5.084852 10.80470       7.058949 
1 1 1 4   9  4  o 124.8400 3.870802 1331.446       82.51949 1443.432       143.5397 1276.165       100.8511 129.9184 6.469924 122.2016 4.832832 7.716820       8.075654 
1 1 1 4   9  5  f 583.1478 7.956013 29108.74       792.2751 30205.42       1372.791 28561.04       970.1476 592.6109 13.56540 577.2505 9.841733 15.36041       16.75947 
1 1 1 4   9  6  o 259.5274 3.973749 5754.886       176.1106 5603.803       306.3093 5829.488       215.2434 255.9127 7.009167 261.1616 4.826347 -5.248871      8.510115 
1 1 1 4   9  7  o 305.5367 6.203124 7985.852       323.6501 9780.564       1553.056 7904.371       330.9154 331.2160 27.71299 303.9578 6.375318 27.25818       28.43685 
1 1 1 4   9  8  o 271.1686 4.811014 6286.645       222.7809 6609.260       393.9708 6134.991       270.1143 277.6798 8.308409 267.7891 5.906807 9.890686       10.19412 
1 1 1 4   9  9  o 182.9257 3.862759 2859.846       120.6631 2880.031       213.8306 2850.416       146.1564 183.3814 6.828304 182.5821 4.687680 0.7993011      8.282516 
1 1 1 4   9  10 o 426.1613 5.605276 15543.67       407.9181 15695.02       817.2597 15493.45       470.7502 426.7107 11.21566 425.3020 6.481733 1.408630       12.95391 
1 1 1 4   9  11 o 205.4213 3.758395 3607.513       131.8408 3170.579       237.4448 3802.260       158.5225 192.2541 7.232444 210.8439 4.402791 -18.58977      8.467161 
1 1 1 4   9  12 o 136.9135 3.816336 1602.934       89.22665 1560.381       158.6858 1622.608       107.8993 134.6777 6.923275 137.7051 4.588458 -3.027451      8.305762 
1 1 1 4   9  13 o 162.5370 3.843987 2259.504       106.6930 2251.584       188.5820 2263.233       129.3928 161.9575 6.818632 162.6064 4.659838 -0.6488953     8.258803 
1 1 1 4   9  14 o 182.4133 4.073949 2847.170       126.9037 2807.973       223.2963 2865.870       154.2324 180.7382 7.234851 182.9199 4.937565 -2.181625      8.759146 
1 1 1 4   9  15 o 128.8860 3.659017 1421.051       80.53269 1424.580       144.7792 1419.470       96.90843 128.6022 6.614990 128.7592 4.407390 -0.1569519     7.948785 
1 1 1 4   9  16 o 50.41549 4.597587 219.5266       39.14653 230.9348       80.45818 215.9884       44.80774 50.83438 9.620865 49.90359 5.340899 0.9307899      11.00392 
1 1 1 4   9  17 o 110.4236 15.36260 1100.291       281.8391 999.4053       490.4152 1150.042       344.3919 100.1171 27.73213 111.5545 18.74328 -11.43739      33.47210 
1 1 1 4   9  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   9  19 o 140.4758 3.984937 1689.890       95.59272 1706.069       171.4100 1682.587       115.1646 140.5063 7.167788 140.0769 4.814492 0.4293671      8.634611 
1 1 1 4   9  20 o 222.2425 4.549571 4235.262       172.6631 3880.740       297.1748 4415.932       212.1448 211.7191 8.219587 226.7158 5.479598 -14.99669      9.878644 
1 1 1 4   9  21 o 99.61787 4.528135 851.8202       77.02975 880.6729       139.1281 839.0660       92.50130 100.3752 8.188173 98.59298 5.516270 1.782211       9.872964 
1 1 1 4   9  22 o 45.86343 7.745008 187.9003       58.49801 165.3415       126.2888 194.0627       66.00626 43.30513 14.50488 46.40314 8.647996 -3.098011      16.88726 
1 1 1 4   9  23 o 72.83734 5.368424 460.5120       66.30265 420.2526       120.2683 478.0899       79.46964 67.92322 10.72483 73.98454 6.351701 -6.061317      12.46459 
1 1 1 4   9  24 o 106.4317 4.469906 976.3568       81.24025 1021.994       142.9151 954.5698       98.74626 107.5915 7.832311 104.8360 5.535417 2.755455       9.590930 
1 1 1 4   9  25 o 48.35938 7.539356 210.3587       60.23088 30.50443       122.5249 267.6703       69.16476 31.53746 13.30009 54.64337 7.619493 -23.10591      15.32805 
1 1 1 4   9  26 o 110.2131 4.851665 1053.830       91.31158 1196.344       161.6871 987.0931       110.6449 115.4574 8.255167 106.0003 6.138825 9.457085       10.28751 
1 1 1 4   9  27 o 25.26640 9.859009 41.31730       61.45274 31.56478       88.25248 50.49707       85.62183 27.43416 11.40854 28.73781 11.50301 -1.303658      16.20105 
1 1 1 4   9  28 o 36.57108 9.411602 127.9738       59.12006 241.8415       92.17231 48.38488       77.05952 49.64936 11.14475 27.50623 10.94483 22.14313       15.62033 
1 1 1 4   10 0  o 455.9183 6.290192 17776.38       489.7256 16733.34       693.7819 18812.21       691.3776 441.9378 9.193055 468.6803 8.638467 -26.74249      12.61489 
1 1 1 4   10 1  o 336.7712 4.693738 9692.580       269.9329 9899.213       386.1144 9495.048       377.5162 340.1856 6.646578 333.1698 6.635416 7.015869       9.391790 
1 1 1 4   10 2  f 427.7404 5.669781 15643.50       414.1412 15468.85       586.9174 15816.69       584.4586 425.0419 8.086178 429.8124 7.962929 -4.770477      11.34877 
1 1 1 4   10 3  o 278.4205 4.613906 6625.167       219.3673 6450.245       312.7821 6794.499       307.7437 274.5750 6.670817 281.8301 6.394401 -7.255127      9.240572 
1 1 1 4   10 4  f 153.1825 3.903906 2005.016       102.1199 2170.340       171.8122 1914.708       126.9845 159.2756 6.316882 149.6580 4.968768 9.617584       8.036893 
1 1 1 4   10 5  o 160.3692 4.987063 2198.885       136.5739 2287.615       194.6337 2112.819       191.6894 163.4672 6.972451 157.0874 7.145865 6.379761       9.983910 
1 1 1 4   10 6  o 188.3723 5.649265 3035.572       181.7234 2592.971       636.3622 3074.870       189.6194 170.3792 22.41601 189.5741 5.857359 -19.19484      23.16864 
1 1 1 4   10 7  f 140.7644 3.734053 1693.421       89.75846 1807.840       157.0763 1637.944       109.3749 145.3147 6.329934 138.4047 4.627697 6.909988       7.841151 
1 1 1 4   10 8  o 305.7903 4.788728 7997.968       250.0609 7740.824       440.5659 8120.181       303.7259 300.2521 8.592566 307.9955 5.774782 -7.743317      10.35279 
1 1 1 4   10 9  o 361.8985 5.531394 11212.59       341.8403 11611.30       601.5955 11022.47       415.4220 367.2946 9.591533 358.5760 6.784321 8.718658       11.74838 
1 1 1 4   10 10 o 115.1184 3.361564 1132.792       66.08276 985.8291       133.2867 1180.691       76.09364 106.9168 7.344820 117.5091 3.792058 -10.59232      8.265959 
1 1 1 4   10 11 o 199.6498 3.880152 3409.056       132.2877 3614.298       236.7290 3315.862       159.5188 205.2250 6.754906 196.8206 4.746126 8.404358       8.255571 
1 1 1 4   10 12 o 102.8397 3.394975 904.2751       59.62103 741.2106       126.4751 950.8651       67.60393 92.46033 8.091742 105.4393 3.754633 -12.97897      8.920401 
1 1 1 4   10 13 o 133.5003 3.392521 1524.109       77.34045 1431.508       147.1077 1559.481       90.91978 128.9173 6.705385 135.0035 3.943769 -6.086197      7.779171 
1 1 1 4   10 14 o 269.2354 4.637018 6208.995       213.1929 6295.755       379.5857 6169.016       257.6732 270.1876 8.227021 268.1655 5.626836 2.022034       9.967204 
1 1 1 4   10 15 f 214.9579 4.369714 3957.350       160.4015 3881.518       283.8299 3992.933       194.4260 212.1739 7.833652 215.7716 5.276648 -3.597702      9.445058 
1 1 1 4   10 16 o 99.77498 22.69414 955.6481       377.9410 0.000000       0.000000 955.6481       377.9410 ?        ?        99.77498 22.69414 0.000000       22.69414 
1 1 1 4   10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   10 18 o 83.64090 4.158255 599.2753       59.39251 461.0309       113.8070 651.0182       69.62579 72.29446 9.444239 87.01202 4.703323 -14.71757      10.55059 
1 1 1 4   10 19 o 49.29140 5.951858 211.9460       49.08444 49.17392       109.3508 253.0175       54.92910 32.45228 12.99615 53.89616 6.074102 -21.44388      14.34554 
1 1 1 4   10 20 o 29.47064 8.558174 77.12831       45.61775 171.4463       101.3469 53.16388       51.08538 43.46289 12.79492 26.19785 9.210340 17.26505       15.76516 
1 1 1 4   10 21 o 65.17062 5.438250 368.6321       59.96912 375.8600       115.5474 365.9674       70.15784 64.31210 10.91120 64.72394 6.432822 -0.4118347     12.66631 
1 1 1 4   10 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   10 23 o 89.85997 4.781364 698.6759       73.10628 825.7225       144.4746 654.9492       84.75846 96.22504 8.892866 86.73615 5.755120 9.488899       10.59266 
1 1 1 4   10 24 o 51.39349 7.104817 235.6745       60.68621 375.8690       124.0161 191.5347       69.58691 63.11293 11.94432 45.57618 9.256928 17.53675       15.11150 
1 1 1 4   10 25 o 27.47296 9.946006 59.78873       60.02006 22.75386       96.93957 82.81161       76.43205 28.03705 11.82739 31.47570 11.24462 -3.438646      16.31958 
1 1 1 4   10 26 o 22.52035 9.579307 8.800872       64.46405 28.61915       94.75229 -8.277229      87.95823 27.96075 11.73871 24.55599 10.81043 3.404760       15.95815 
1 1 1 4   10 27 o 40.06530 10.08773 154.7391       68.97411 181.3598       104.9557 134.5025       91.50922 42.43533 13.13689 37.33017 12.34202 5.105164       18.02507 
1 1 1 4   10 28 o 21.92898 9.583829 -1.867560      68.02750 -10.91602      126.6643 1.800411       80.64543 28.32405 12.68917 23.94133 10.44984 4.382715       16.43820 
1 1 1 4   11 0  o 111.4775 4.218682 1062.161       80.30935 996.2726       116.0119 1122.790       111.2847 107.7102 6.335196 114.5671 5.688182 -6.856911      8.514113 
1 1 1 4   11 1  o 401.7338 5.548512 13805.06       380.6421 13508.90       541.2002 14094.97       535.4641 397.0157 7.982673 405.5836 7.731221 -8.567871      11.11282 
1 1 1 4   11 2  o 100.1561 3.471859 857.1355       59.38016 926.0033       93.45709 810.5115       76.89689 103.9174 5.283906 97.36598 4.624870 6.551430       7.022043 
1 1 1 4   11 3  o 507.8640 6.251934 22078.71       542.2052 22340.25       768.0844 21818.91       765.5100 510.2218 8.815520 504.2115 8.890704 6.010284       12.52030 
1 1 1 4   11 4  o 120.0042 8.200822 1241.054       167.0500 1106.103       175.5284 2537.630       544.0749 113.1221 9.165315 169.2446 19.16298 -56.12256      21.24201 
1 1 1 4   11 5  o 100.8882 5.335080 873.3680       91.58758 0.000000       0.000000 873.3680       91.58758 ?        ?        100.8882 5.335080 0.000000       5.335080 
1 1 1 4   11 6  o 58.27628 5.018641 292.7264       49.45647 181.3584       91.94479 338.0667       58.66632 45.01083 11.81310 62.59918 5.545448 -17.58836      13.04996 
1 1 1 4   11 7  o 313.1314 5.177685 8392.785       276.8625 8385.493       479.8103 8396.425       338.9905 312.2119 8.999495 313.0047 6.342125 -0.7927246     11.00970 
1 1 1 4   11 8  o 124.5736 3.686724 1326.880       78.42754 1256.627       140.9498 1358.385       94.38867 120.8312 6.859265 126.0072 4.386545 -5.176056      8.141947 
1 1 1 4   11 9  o 332.9721 5.510900 9498.696       313.3519 9537.733       551.8389 9480.120       380.6767 332.4669 9.719904 332.3751 6.706963 0.9179688E-01  11.80931 
1 1 1 4   11 10 f 186.1407 4.068342 2964.319       129.3185 3139.714       230.3426 2883.592       156.2701 191.1848 7.055358 183.4964 4.987081 7.688385       8.639969 
1 1 1 4   11 11 o 153.6895 3.201983 2019.551       84.03597 2088.248       175.3371 1999.064       95.74995 155.9377 6.584470 152.8754 3.667744 3.062332       7.537081 
1 1 1 4   11 12 o 28.52603 6.250619 72.58084       29.60732 -32.24368      71.35577 94.38093       32.54069 21.20058 9.509096 32.64585 6.060212 -11.44527      11.27604 
1 1 1 4   11 13 o 112.6510 2.923572 1084.969       56.24069 974.5712       118.3669 1117.159       63.91634 106.2851 6.553592 114.2906 3.274911 -8.005447      7.326296 
1 1 1 4   11 14 o 118.7627 3.019977 1206.122       61.24710 1203.702       126.8218 1206.858       69.94438 118.1774 6.307106 118.7715 3.448567 -0.5941010     7.188337 
1 1 1 4   11 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   11 17 o 44.56390 5.087475 172.5974       38.02184 91.08227       87.21738 191.7241       42.24771 34.16491 12.03237 46.95533 5.365176 -12.79042      13.17433 
1 1 1 4   11 18 o 47.52944 5.543869 196.7535       44.15090 205.1316       108.2500 195.0817       48.35571 47.38335 12.99046 47.21944 6.142296 0.1639061      14.36941 
1 1 1 4   11 19 o 131.2311 4.093787 1477.026       91.74110 1566.202       170.4385 1440.650       108.8559 134.2417 7.464444 129.4761 4.923346 4.765549       8.941882 
1 1 1 4   11 20 o 23.28153 8.354416 40.51072       42.23546 7.202675       100.2249 47.70290       46.57270 27.98696 11.92541 24.85586 8.788389 3.131098       14.81389 
1 1 1 4   11 21 o 16.39514 7.591038 -40.54356      50.34221 0.000000       0.000000 -40.54356      50.34221 ?        ?        16.39514 7.591038 0.000000       7.591038 
1 1 1 4   11 22 o 52.35083 6.162311 241.2251       54.03470 538.9869       107.2938 140.0417       62.54533 77.85583 8.193107 38.94545 9.491215 38.91038       12.53835 
1 1 1 4   11 23 o 175.7210 4.416284 2664.317       132.5203 2563.305       229.6279 2714.760       162.2697 170.4147 7.890698 176.9340 5.370619 -6.519257      9.544981 
1 1 1 4   11 24 o 113.9989 4.608517 1124.950       89.71472 1161.122       152.6179 1105.850       110.8988 114.0925 7.881651 112.4436 5.795216 1.648888       9.782890 
1 1 1 4   11 25 o 28.72537 9.953258 71.15986       59.55553 54.38404       98.70056 80.76472       74.68324 30.36725 12.28128 30.89633 11.10699 -0.5290775     16.55883 
1 1 1 4   11 26 o 25.09636 9.652003 43.66679       58.24435 70.51056       120.6960 35.51789       66.49985 33.16408 13.51877 25.18768 10.11783 7.976398       16.88572 
1 1 1 4   11 27 o 16.67241 7.763520 -42.12247      53.82036 -342.0306      126.7151 23.88950       59.44915 18.13554 9.119819 22.95904 9.437948 -4.823500      13.12425 
1 1 1 4   12 0  o 85.26914 3.601570 621.4704       52.44277 626.8682       79.64459 617.3386       69.68066 85.40300 5.490208 84.81198 4.831194 0.5910187      7.313195 
1 1 1 4   12 1  o 253.5059 4.484504 5496.559       194.1352 5485.497       278.5343 5507.010       270.7295 253.0202 6.446464 253.5423 6.252925 -0.5220795     8.980867 
1 1 1 4   12 2  o 195.1786 4.705687 3259.016       156.8401 3082.823       221.1569 3437.291       222.4597 189.6243 6.829745 200.2676 6.504871 -10.64333      9.431795 
1 1 1 4   12 3  o 60.65892 4.596740 316.5822       47.26147 362.7220       89.79007 298.9004       55.58442 64.44115 8.356232 58.81650 5.601851 5.624645       10.06019 
1 1 1 4   12 4  o 171.6742 3.938580 2520.276       115.4640 2651.818       196.1424 2450.518       142.8355 175.8616 6.531283 169.2071 4.943287 6.654556       8.191077 
1 1 1 4   12 5  o 263.2549 4.912367 5932.398       220.8356 5960.221       372.2101 5917.284       274.3386 263.2562 8.279569 262.7359 6.114565 0.5202942      10.29268 
1 1 1 4   12 6  o 144.5831 3.767898 1787.709       93.02901 1728.970       158.0538 1818.845       115.0735 141.9634 6.519687 145.7783 4.622540 -3.814865      7.992133 
1 1 1 4   12 7  o 111.6960 4.002410 1067.267       76.34158 929.1241       142.9629 1122.372       90.29302 103.5953 8.147034 114.5072 4.617632 -10.91192      9.364651 
1 1 1 4   12 8  o 177.0949 3.902688 2682.993       118.0244 2758.992       206.8275 2646.296       143.7220 179.2418 6.757205 175.7943 4.787585 3.447449       8.281351 
1 1 1 4   12 9  o 179.9824 4.085640 2772.227       125.5718 2657.268       219.5992 2828.078       153.0659 175.7671 7.316295 181.6910 4.933363 -5.923904      8.824185 
1 1 1 4   12 10 o 156.6864 3.602043 2100.178       96.37896 2113.004       173.2589 2094.432       115.9794 156.8346 6.469214 156.4049 4.342387 0.4297180      7.791473 
1 1 1 4   12 11 o 188.6650 3.422448 3044.706       110.2631 3248.408       199.2959 2954.846       132.3676 194.5074 6.000124 185.7779 4.172398 8.729553       7.308241 
1 1 1 4   12 12 o 125.9456 3.253838 1356.748       69.98112 1319.026       145.4524 1368.110       79.82782 123.6132 6.918328 126.4397 3.697166 -2.826515      7.844253 
1 1 1 4   12 13 o 221.1944 13.08440 4315.944       492.0326 5059.609       852.6267 3944.636       602.4726 233.3173 21.64636 209.1311 17.01766 24.18619       27.53481 
1 1 1 4   12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   12 15 o 135.0973 3.701906 1562.334       85.40318 1795.025       163.7355 1475.369       100.0981 144.4013 6.640028 131.2072 4.467518 13.19409       8.003042 
1 1 1 4   12 16 o 120.5481 5.198344 1247.482       107.0107 999.5403       145.6430 1538.370       157.7533 107.2226 8.012183 133.4096 6.948551 -26.18693      10.60554 
1 1 1 4   12 17 o 92.41262 6.079123 738.5895       95.39886 745.6988       136.0302 731.7088       133.8255 92.24027 8.740299 91.37941 8.680301 0.8608627      12.31830 
1 1 1 4   12 18 o 109.2157 5.915792 1031.594       109.9202 928.8970       148.9605 1154.365       162.8704 102.8964 8.555091 114.8428 8.362379 -11.94646      11.96323 
1 1 1 4   12 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   12 20 o 91.36195 6.360582 727.7027       98.61588 757.3378       135.5423 694.3713       143.7469 92.40489 8.691841 88.03557 9.724092 4.369324       13.04247 
1 1 1 4   12 21 o 122.1644 5.703184 1294.099       118.9773 1216.573       161.4261 1386.299       176.0408 117.2820 8.109902 125.1359 8.285026 -7.853828      11.59363 
1 1 1 4   12 22 o 91.79215 6.405585 739.0046       99.77808 722.2495       132.9519 760.6105       150.9753 89.70669 8.791966 91.54737 9.810152 -1.840683      13.17337 
1 1 1 4   12 23 o 75.59198 7.237752 508.8086       92.28678 599.5765       122.0869 387.7984       140.9658 81.27228 8.944873 62.76738 13.54863 18.50490       16.23503 
1 1 1 4   12 24 o 57.01955 9.104136 301.4582       85.66526 238.5012       111.6918 391.4045       133.5031 48.75087 13.12511 62.90929 12.86127 -14.15842      18.37609 
1 1 1 4   12 25 o 42.51006 11.16588 177.0962       82.10215 157.3414       105.9768 206.7517       129.8455 39.97047 13.28508 44.80513 14.69632 -4.834660      19.81099 
1 1 1 4   12 26 f 43.10859 7.880301 173.0080       55.87302 91.68282       115.5180 197.8432       63.83676 33.93637 13.43293 45.90516 8.454964 -11.96879      15.87230 
1 1 1 4   13 0  o 293.1071 4.309477 7350.986       215.7013 7671.879       306.8639 7037.579       303.2634 299.1376 6.007211 286.4665 6.199324 12.67111       8.632392 
1 1 1 4   13 1  o 133.8423 4.981406 1533.934       113.8538 1555.147       121.3387 1377.732       329.2608 134.7413 5.273474 124.3093 15.87318 10.43195       16.72625 
1 1 1 4   13 2  o 229.2865 4.672092 4500.394       182.9329 4318.913       323.4028 4585.781       221.8323 223.9597 8.456137 231.3189 5.615802 -7.359161      10.15103 
1 1 1 4   13 3  o 313.0112 4.400653 8385.246       235.2225 8528.032       335.0569 8246.482       330.3037 315.2939 6.223018 310.0420 6.238657 5.251984       8.811742 
1 1 1 4   13 4  o 50.00515 4.933169 216.2186       41.57630 268.3224       67.77509 184.7805       52.64574 55.39688 7.345602 45.87580 6.936697 9.521084       10.10325 
1 1 1 4   13 5  o 112.4052 3.647798 1080.704       70.01951 993.8065       120.7284 1124.750       85.95210 107.3757 6.616401 114.6278 4.391012 -7.252113      7.940891 
1 1 1 4   13 6  o 261.4359 5.053839 5856.694       225.6257 5760.343       393.2109 5903.989       275.4915 258.3067 8.914315 262.2645 6.151299 -3.957794      10.83067 
1 1 1 4   13 7  o 74.29819 3.964295 473.7507       50.11572 449.6447       90.06503 484.5620       60.31583 71.90333 7.442847 75.06380 4.729609 -3.160477      8.818457 
1 1 1 4   13 8  o 102.3752 3.621197 896.6879       63.30660 912.4756       110.8221 889.0406       77.12985 102.8662 6.339764 101.8864 4.433070 0.9798279      7.735937 
1 1 1 4   13 9  f 48.49507 4.838832 203.5439       39.53688 291.3118       83.53349 178.2062       44.88246 57.41570 8.800363 45.17067 5.964471 12.24503       10.63115 
1 1 1 4   13 10 o 133.5291 3.354883 1525.289       76.49889 1800.572       138.7528 1405.069       91.69387 144.8314 5.610182 128.0903 4.192007 16.74107       7.003361 
1 1 1 4   13 11 o 158.8917 11.69446 2218.766       315.0795 2325.399       632.0925 2183.510       363.4526 155.6103 24.60517 156.7905 13.71248 -1.180130      28.16818 
1 1 1 4   13 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   13 13 o 64.18872 3.645743 353.7914       39.79710 438.4812       108.9857 340.7613       42.74913 70.52643 9.274209 62.95516 3.997160 7.571270       10.09892 
1 1 1 4   13 14 o 137.2749 3.832525 1613.682       89.84168 1595.401       163.6909 1621.563       107.4763 135.8402 7.081096 137.5246 4.576468 -1.684341      8.431250 
1 1 1 4   13 15 o 65.30717 7.501326 373.3074       82.13822 444.4578       117.2029 304.6320       115.1464 70.73014 9.980980 57.81256 12.05391 12.91758       15.64982 
1 1 1 4   13 16 o 78.91015 7.593105 544.3935       101.0554 440.8232       144.1361 644.5237       141.7222 69.47138 12.61429 85.26606 9.918628 -15.79468      16.04679 
1 1 1 4   13 17 o 71.09753 7.020207 442.4430       84.11967 331.6243       119.4697 551.4020       118.4630 59.97739 12.08225 78.89027 8.951899 -18.91288      15.03720 
1 1 1 4   13 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   13 19 o 74.90272 6.785509 492.2180       85.85025 465.8542       122.1432 517.9587       120.6910 71.63564 10.27934 75.90511 9.520575 -4.269463      14.01093 
1 1 1 4   13 20 o 82.74131 6.566229 600.6135       92.01463 587.8676       125.6674 615.3448       135.1008 80.79871 9.276016 82.45133 9.786374 -1.652618      13.48398 
1 1 1 4   13 21 o 110.1647 5.897612 1059.679       110.5458 851.8083       148.4440 1318.486       165.6358 97.27296 9.039935 121.8166 8.007036 -24.54369      12.07614 
1 1 1 4   13 22 o 84.17999 7.230306 630.7631       102.9276 667.1155       144.8159 593.6523       146.3190 84.95226 10.18559 79.54720 11.07162 5.405067       15.04417 
1 1 1 4   13 23 o 98.33494 6.681176 858.7938       111.5267 936.0869       156.6089 779.2625       158.8603 101.0025 9.180177 91.22214 10.38295 9.780334       13.85934 
1 1 1 4   13 24 o 27.03312 11.38225 26.25518       89.50535 65.34881       127.1875 -12.09997      125.9805 33.24061 13.74887 28.55298 12.73298 4.687624       18.73927 
1 1 1 4   13 25 o 34.86541 12.55543 113.8109       95.47070 15.18534       140.8338 197.6710       129.8643 30.92784 13.64420 43.24192 14.70767 -12.31408      20.06190 
1 1 1 4   14 0  o 166.4034 4.462893 2371.095       126.8179 2271.556       159.9618 2539.519       208.0757 162.7177 5.756779 171.8352 7.090994 -9.117569      9.133603 
1 1 1 4   14 1  o 183.1011 3.618884 2868.041       113.1534 3097.929       164.7932 2662.969       155.6445 190.1220 5.075805 176.2581 5.171098 13.86398       7.245968 
1 1 1 4   14 2  o 33.52093 7.461147 100.5004       41.61022 71.59719       59.07957 128.9505       58.61465 29.61822 9.920884 37.88066 9.161457 -8.262442      13.50393 
1 1 1 4   14 3  o 101.5340 3.565748 881.9211       61.82500 849.8758       95.02254 905.4449       81.41396 99.37403 5.622590 102.8110 4.637216 -3.436989      7.288160 
1 1 1 4   14 4  f 286.4930 4.187343 7027.349       204.8587 7075.750       292.9425 6981.024       286.5899 287.0706 5.975741 285.1664 5.885192 1.904205       8.387191 
1 1 1 4   14 5  o 145.8387 3.538863 1819.652       88.13301 1747.138       149.0052 1858.671       109.3024 142.6195 6.118155 147.3192 4.344787 -4.699692      7.503932 
1 1 1 4   14 6  o 144.3632 3.861476 1783.854       95.19444 1855.323       167.1526 1749.548       115.8101 146.8679 6.664758 142.8780 4.746562 3.989853       8.182228 
1 1 1 4   14 7  o 126.7747 3.534689 1375.208       76.52187 1525.081       135.7614 1305.422       92.63992 133.2404 5.966761 123.4440 4.394671 9.796394       7.410491 
1 1 1 4   14 8  o 45.66722 17.91900 122.9892       203.8885 83.37173       237.2128 235.0287       398.9152 45.91302 18.86080 61.96299 24.81953 -16.04996      31.17273 
1 1 1 4   14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   14 11 o 169.6416 4.066997 2464.914       117.8170 2599.076       209.5994 2402.943       142.4519 173.6474 7.068378 167.3637 4.984310 6.283661       8.649007 
1 1 1 4   14 12 o 112.4292 3.847475 1082.487       73.86806 1200.366       144.6829 1040.928       85.90836 117.7355 7.231276 110.1830 4.565821 7.552475       8.552080 
1 1 1 4   14 13 o 154.1694 3.489542 2034.829       91.86890 1885.500       184.6774 2083.934       105.9021 147.7363 7.320228 155.9565 3.976483 -8.220184      8.330556 
1 1 1 4   14 14 o 71.45686 7.474470 446.7691       89.85685 430.0733       138.8398 458.8029       117.8726 68.73917 12.27845 71.79762 9.875339 -3.058449      15.75698 
1 1 1 4   14 15 o 129.4137 5.428034 1442.857       119.9567 1407.223       170.6121 1477.694       168.6931 126.9402 7.909934 130.1937 7.620846 -3.253433      10.98382 
1 1 1 4   14 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   14 17 o 39.41035 11.64487 142.7805       83.80989 171.4514       132.1874 123.5079       108.3776 43.75101 14.83884 38.24870 13.41698 5.502312       20.00516 
1 1 1 4   14 18 o 53.85360 8.591434 261.8306       76.35488 200.3440       109.1927 320.6641       106.8109 45.92786 13.21289 58.80758 11.04154 -12.87972      17.21906 
1 1 1 4   14 19 o 80.68630 6.378269 571.2898       87.16644 554.7103       124.4540 587.2542       122.1230 78.23678 9.510910 80.75925 9.008822 -2.522469      13.10024 
1 1 1 4   14 20 o 26.00886 10.53502 32.46965       72.74985 -34.23772      98.02513 114.2629       108.5449 24.60859 11.08239 36.72303 13.36300 -12.11443      17.36057 
1 1 1 4   14 21 o 69.07887 8.379128 433.4058       96.82022 387.3764       136.0456 480.6441       137.8206 62.66416 13.13353 70.85154 11.80652 -8.187382      17.66022 
1 1 1 4   14 22 o 20.09674 9.495397 -82.57033      85.68190 -151.2304      123.6649 -19.17954      118.8249 22.61482 10.88124 27.54182 12.31791 -4.927002      16.43570 
1 1 1 4   14 23 o 66.28941 8.507271 405.1697       94.07996 456.0333       126.6683 342.5887       140.5029 68.65445 11.18979 57.12704 14.40547 11.52741       18.24086 
1 1 1 4   14 24 o 64.05087 9.176785 386.8872       97.50484 472.3724       134.2627 291.4891       141.8339 68.87250 11.84279 51.42851 15.13540 17.44399       19.21801 
1 1 1 4   15 0  o 156.6015 4.740136 2102.093       126.7619 1921.575       160.1011 2405.390       207.5238 149.5092 6.270825 167.0801 7.273465 -17.57095      9.603465 
1 1 1 4   15 1  o 68.62709 5.722700 407.1838       66.45379 614.0412       128.1283 331.0632       77.72496 83.72685 9.108393 61.51477 7.558105 22.21208       11.83587 
1 1 1 4   15 2  o 31.24845 8.146174 87.45268       43.91478 102.1915       64.40314 74.64481       60.03632 34.09904 10.23894 30.06780 9.999479 4.031237       14.31172 
1 1 1 4   15 3  o 144.7502 3.542570 1793.025       87.56681 1761.660       130.8043 1818.497       117.8782 143.2733 5.346319 145.6457 4.739517 -2.372391      7.144659 
1 1 1 4   15 4  f 129.7821 11.53508 1483.623       252.9802 1550.087       333.6766 1393.771       387.9655 131.2607 15.16556 122.5677 19.16351 8.693016       24.43838 
1 1 1 4   15 5  o 112.9022 23.20118 1229.600       432.3600 1229.600       432.3600 0.000000       0.000000 112.9022 23.20118 ?        ?        0.000000       23.20118 
1 1 1 4   15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   15 8  o 53.99032 5.335351 252.6474       48.54688 222.7266       100.3884 261.7806       55.46348 49.43540 12.01028 54.85826 6.019475 -5.422859      13.43431 
1 1 1 4   15 9  o 67.89821 4.662489 397.1993       53.73265 195.5561       109.8861 460.5645       61.59937 46.42446 13.22280 73.09642 4.964325 -26.67196      14.12399 
1 1 1 4   15 10 o 72.52585 4.447972 452.6570       54.82194 514.7006       113.1042 433.6046       62.67664 76.53868 8.814620 70.87157 5.215477 5.667114       10.24201 
1 1 1 4   15 11 f 101.3549 3.897287 880.2457       67.45422 967.3748       124.0976 843.7076       80.36276 105.6325 6.917819 99.14417 4.746634 6.488350       8.389681 
1 1 1 4   15 12 o 64.81831 4.851595 362.9660       53.31174 164.5681       96.26570 450.7293       64.02650 42.57016 12.45242 72.20820 5.227810 -29.63804      13.50529 
1 1 1 4   15 13 o 183.3698 3.664000 2883.017       114.7322 3623.896       245.7152 2676.449       129.7445 204.4389 7.038278 176.5385 4.303756 27.90050       8.249828 
1 1 1 4   15 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   15 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   15 16 o 24.99606 10.16496 26.05652       68.03367 -90.03176      97.77172 135.0311       94.72871 21.98888 10.31215 38.65745 12.54651 -16.66857      16.24054 
1 1 1 4   15 17 o 93.28987 5.943890 759.5566       94.19755 812.4349       134.2506 708.2784       132.2039 95.52999 8.312372 88.92154 8.822805 6.608452       12.12178 
1 1 1 4   15 18 o 128.7071 5.623698 1440.424       123.6022 1434.833       182.3794 1445.173       168.0932 126.7653 8.473885 127.6805 7.746078 -0.9151611     11.48079 
1 1 1 4   15 19 o 106.2215 5.869957 988.6843       106.0623 995.2864       146.2208 981.3538       154.0768 105.3175 8.194820 104.2323 8.736911 1.085228       11.97868 
1 1 1 4   15 20 o 142.8145 5.608519 1784.870       136.7800 1820.400       193.0264 1749.037       193.8483 142.2827 7.976588 139.2713 8.186769 3.011414       11.43019 
1 1 1 4   15 21 o 120.6757 6.283379 1289.431       129.0360 1370.835       187.0156 1215.464       178.2675 122.1644 9.028569 114.8819 9.163184 7.282494       12.86386 
1 1 1 4   15 22 o 69.79559 8.488400 450.2188       99.08793 500.3436       137.0531 395.3232       143.4271 71.39511 11.64266 61.54622 13.96676 9.848892       18.18301 
1 1 1 4   15 23 f 53.95760 10.66951 286.0261       94.82693 338.5317       130.0959 226.5088       138.5103 56.60052 13.62402 45.44203 15.19068 11.15849       20.40516 
1 1 1 4   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   16 3  o 79.47517 5.794513 545.6592       78.09942 433.6030       223.0396 561.3187       83.37807 67.85886 18.66435 80.56268 6.105997 -12.70382      19.63774 
1 1 1 4   16 4  o 205.0651 4.082840 3602.471       142.9737 3448.119       213.4560 3728.065       192.5474 200.1793 6.244352 208.3474 5.411874 -8.168121      8.263190 
1 1 1 4   16 5  o 101.8843 4.216524 889.5563       73.36077 879.8823       119.5179 895.4044       92.92560 100.7740 6.988336 101.9667 5.355478 -1.192665      8.804430 
1 1 1 4   16 6  o 65.81278 5.546361 374.7984       61.75237 427.2896       127.9632 358.8630       70.50546 69.01273 11.24539 64.22302 6.519163 4.789703       12.99839 
1 1 1 4   16 7  o 108.0164 4.400853 1000.452       81.17618 1011.011       156.1484 996.5411       95.02647 107.6270 8.566924 107.7189 5.165958 -0.9188080E-01 10.00396 
1 1 1 4   16 8  o 223.4771 4.529578 4285.250       172.8592 4285.999       308.2108 4284.906       208.7875 222.2917 8.119379 223.2148 5.477466 -0.9231110     9.794230 
1 1 1 4   16 9  o 149.1190 4.018252 1906.750       102.3227 2135.222       187.8701 1810.392       122.0065 157.1194 7.002063 145.1474 4.922340 11.97198       8.559107 
1 1 1 4   16 10 o 130.4925 4.152148 1461.456       92.52526 1390.545       165.7683 1493.544       111.5121 126.2661 7.725145 131.7734 4.955554 -5.507248      9.177984 
1 1 1 4   16 11 o 58.47016 5.672956 297.8029       55.93015 412.6273       128.2873 270.8557       62.14748 67.15004 11.60747 55.51588 6.690247 11.63416       13.39749 
1 1 1 4   16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   16 13 o 13.82108 6.202112 -13.66415      30.39316 -187.7897      101.0083 3.670528       31.87013 18.92083 9.267776 16.19100 6.803245 2.729826       11.49677 
1 1 1 4   16 14 o 34.28675 6.580294 105.6616       37.12666 -149.4114      121.2986 132.0276       38.99831 22.92115 10.96198 38.53500 6.131823 -15.61386      12.56042 
1 1 1 4   16 15 o 84.60933 6.212445 626.6661       89.13238 495.6145       126.7502 754.8701       125.3656 73.55239 10.37989 92.16839 8.045825 -18.61600      13.13306 
1 1 1 4   16 16 o 41.34344 11.03377 161.6990       79.34981 115.2808       129.8237 189.3815       100.2566 38.14465 14.47159 44.39080 12.62550 -6.246147      19.20495 
1 1 1 4   16 17 o 60.05648 8.097227 326.2330       80.92525 211.1398       119.0263 425.1694       110.3560 46.23502 13.92770 67.87956 9.804581 -21.64454      17.03263 
1 1 1 4   16 18 o 57.65576 9.856704 311.4619       93.55901 239.7019       144.7204 362.9877       122.6312 48.21106 15.49346 61.01969 12.19517 -12.80863      19.71724 
1 1 1 4   16 19 o 47.71889 10.72253 220.4546       85.24543 383.5007       124.0543 74.58893       117.3365 62.49045 12.06198 33.24869 13.41022 29.24176       18.03678 
1 1 1 4   16 20 o 78.77966 7.654230 562.9230       101.6717 454.9724       140.5670 681.3588       147.2355 67.46960 12.66554 84.75964 10.38992 -17.29003      16.38189 
1 1 1 4   16 21 o 110.9467 6.730405 1104.794       126.9111 1119.401       187.2290 1092.376       172.6188 108.3176 10.24375 107.8067 9.472578 0.5109406      13.95221 
1 1 1 4   17 0  o 133.7074 3.895760 1531.698       88.95073 1465.055       134.7256 1583.198       118.4339 130.4516 6.047821 135.7694 5.108253 -5.317825      7.916462 
1 1 1 4   17 1  o 142.6475 4.162082 1744.347       101.3857 1739.132       179.3907 1746.795       122.8952 141.6276 7.443479 142.6142 5.046269 -0.9865265     8.992786 
1 1 1 4   17 2  o 100.6119 4.887068 869.2299       83.96530 857.2137       113.0708 884.0021       125.3690 99.45010 6.696982 100.8521 7.329638 -1.402000      9.928402 
1 1 1 4   17 3  o 124.6415 3.991988 1331.705       84.96769 1357.594       137.2760 1315.628       108.1804 125.2936 6.437737 123.7300 5.120017 1.563560       8.225511 
1 1 1 4   17 4  o 98.31989 5.388657 834.0494       90.12936 855.3505       130.1841 814.4413       124.9041 99.02686 7.760561 96.64996 7.629906 2.376892       10.88310 
1 1 1 4   17 5  o 64.79877 6.388977 365.9469       69.77679 -65.56734      228.5571 410.2993       73.27504 38.02917 17.04059 68.66156 6.320390 -30.63239      18.17495 
1 1 1 4   17 6  o 53.50262 6.756219 251.5018       60.35168 236.8182       123.4163 256.1167       69.18851 50.40014 13.89261 53.76337 7.760790 -3.363235      15.91334 
1 1 1 4   17 7  o 100.1646 4.464787 862.2430       76.36901 872.1337       150.3444 858.8035       88.65886 99.39759 8.953568 99.71241 5.224979 -0.3148193     10.36662 
1 1 1 4   17 8  o 59.68982 5.971269 311.0539       60.04861 245.8711       126.9038 329.8589       68.16234 51.02082 14.09732 61.33646 6.612183 -10.31564      15.57098 
1 1 1 4   17 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   17 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   17 11 o 81.38905 4.634805 572.8940       64.15030 598.5221       149.7487 567.1339       70.99448 80.85571 11.14142 80.85271 5.168994 0.2998352E-02  12.28209 
1 1 1 4   17 12 o 62.15271 5.135821 336.3801       54.02114 266.6918       140.3963 348.4906       58.52715 52.19000 14.97298 63.18569 5.478433 -10.99569      15.94375 
1 1 1 4   17 13 o 85.29594 4.383673 629.3738       63.63530 696.5860       136.7156 610.7850       71.89857 87.85979 9.251285 83.84666 5.044975 4.013123       10.53746 
1 1 1 4   17 14 o 75.43146 4.348057 492.9051       55.77061 748.0292       130.1442 435.5160       61.72539 91.32913 8.440220 70.68059 5.149429 20.64854       9.887058 
1 1 1 4   17 15 o 82.00363 7.022871 597.2414       97.39561 635.2063       159.3668 574.6085       123.0486 81.92319 11.72622 79.31910 9.258636 2.604095       14.94077 
1 1 1 4   17 16 o 55.76374 8.823250 286.9625       81.22388 267.1099       124.5620 301.6483       107.1338 51.29173 13.88237 55.78642 11.62312 -4.494686      18.10573 
1 1 1 4   17 17 o 38.15017 11.62559 141.6473       82.58149 90.23997       120.0520 187.8204       113.7763 34.60658 13.69534 43.11932 13.72500 -8.512737      19.38912 
1 1 1 4   17 18 o 42.81675 11.39720 181.3399       84.80543 149.9567       122.6371 210.1002       117.4002 39.40708 14.22469 45.09134 13.88314 -5.684265      19.87670 
1 1 1 4   17 19 o 66.59222 8.773163 413.6989       97.33708 345.2200       135.0488 487.7322       140.4190 57.17988 13.95375 69.81675 12.22315 -12.63687      18.55027 
1 1 1 4   17 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   18 0  o 98.17649 4.150797 827.8961       69.58906 756.9854       109.0470 876.6141       90.38637 93.14749 6.904685 100.7064 5.274206 -7.558899      8.688608 
1 1 1 4   18 1  o 18.72368 7.950058 2.081260       44.25711 -58.48965      88.36410 22.36321       51.13269 22.22730 10.20656 22.19882 8.888014 0.2847862E-01  13.53406 
1 1 1 4   18 2  o 53.58767 6.086323 251.5561       54.70774 251.0194       99.41469 251.7892       65.52075 52.05034 11.49199 53.29765 7.398491 -1.247311      13.66760 
1 1 1 4   18 3  o 62.73745 5.764493 343.0391       61.06673 461.3087       109.1772 289.1908       73.66836 71.87182 9.099339 57.06526 7.761083 14.80656       11.95961 
1 1 1 4   18 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   18 7  o 62.61785 6.911857 345.8318       72.67676 0.000000       0.000000 345.8318       72.67676 ?        ?        62.61785 6.911857 0.000000       6.911857 
1 1 1 4   18 8  o 32.85608 8.959414 98.88734       51.65424 151.5776       115.9459 85.84026       57.69615 41.01644 13.89744 31.04802 9.761273 9.968418       16.98297 
1 1 1 4   18 9  f 27.56068 8.315412 67.97396       42.40333 39.61271       93.86550 75.24574       47.52954 29.26314 11.92447 28.96781 8.818024 0.2953320      14.83073 
1 1 1 4   18 10 f 64.23396 5.031251 359.3580       54.74660 486.0388       109.2917 316.9229       63.25486 73.37739 8.904560 59.96500 6.269952 13.41239       10.89052 
1 1 1 4   18 11 o 87.07189 4.448253 656.6328       65.92007 743.5677       125.0269 623.1609       77.57931 91.22653 8.110237 84.53323 5.402472 6.693298       9.744879 
1 1 1 4   18 12 o 40.29229 6.960706 146.6838       46.16165 354.7739       99.82159 90.07806       52.06301 61.94881 9.758969 31.27547 9.160213 30.67334       13.38458 
1 1 1 4   18 13 o 50.96106 6.061182 230.6193       51.71245 80.10609       144.6532 252.6736       55.37163 35.99773 14.75111 53.32757 6.195901 -17.32984      15.99951 
1 1 1 4   18 14 o 36.49494 7.367883 122.5472       44.33530 292.6134       142.4173 104.2972       46.65351 52.84047 15.05445 33.40608 8.231490 19.43439       17.15791 
1 1 1 4   18 15 o 53.33828 9.830020 269.9936       86.23660 183.1845       125.2965 348.1273       118.8710 42.55557 14.44683 59.30830 12.14569 -16.75273      18.87402 
1 1 1 4   18 16 o 51.27423 10.31618 253.4538       87.19898 341.5648       126.6923 174.1423       120.1997 57.87831 13.12103 41.48222 14.14961 16.39609       19.29697 
1 1 1 4   18 17 o 66.13761 10.14456 419.6333       110.9166 366.0065       157.5928 472.2738       156.1367 57.40592 15.64741 67.01805 14.09016 -9.612133      21.05645 
1 1 1 4   18 18 o 22.94058 10.33718 -21.30727      85.42902 -81.93635      117.2773 47.23174       124.6931 23.91757 11.24137 31.16727 13.29164 -7.249697      17.40793 
1 1 1 4   19 0  o 54.40666 5.804538 259.5840       53.09636 61.17792       88.60818 370.7387       66.32240 30.66461 11.87378 65.06302 6.038136 -34.39841      13.32088 
1 1 1 4   19 1  o 33.28704 8.283596 101.4951       46.89802 113.2591       77.72296 94.75959       58.81080 35.46519 11.34972 32.36275 9.799361 3.102444       14.99479 
1 1 1 4   19 2  o 112.1233 4.090911 1082.379       78.32816 998.9305       124.2682 1137.387       100.8943 106.7136 6.855552 114.6587 5.152969 -7.945091      8.576228 
1 1 1 4   19 3  o 62.62708 5.092111 341.4973       53.98646 436.3994       90.43052 288.9439       67.29416 70.05440 7.685457 57.04704 7.058487 13.00736       10.43497 
1 1 1 4   19 4  o 35.09145 8.453432 113.2979       50.05572 149.3016       92.38898 98.33809       59.55386 39.97610 12.31708 32.83109 9.843147 7.145016       15.76699 
1 1 1 4   19 5  o 150.9952 4.685940 1970.275       120.8264 1876.110       157.5030 2104.943       188.3548 146.6411 6.289718 154.8608 7.122512 -8.219681      9.502143 
1 1 1 4   19 6  o 62.29983 5.790423 340.5448       60.89771 335.6299       106.2899 342.9465       74.30198 59.96890 10.77528 62.09680 7.136681 -2.127895      12.92435 
1 1 1 4   19 7  o 101.4196 4.773678 890.3434       82.67550 877.3285       151.1405 895.9005       98.76115 98.58517 9.079796 101.2799 5.733861 -2.694733      10.73871 
1 1 1 4   19 8  o 48.50635 7.747626 213.1277       62.01596 180.0110       102.6046 232.1896       77.84414 43.13958 12.91689 50.03433 9.457311 -6.894749      16.00896 
1 1 1 4   19 9  o 16.41671 7.649198 -44.34914      52.37641 0.000000       0.000000 -44.34914      52.37641 ?        ?        16.41671 7.649198 0.000000       7.649198 
1 1 1 4   19 10 f 30.79744 8.666237 88.10999       47.49856 174.1900       97.59511 61.39183       54.37263 42.14952 12.59246 27.07949 9.503075 15.07003       15.77588 
1 1 1 4   19 11 o 69.53681 5.023003 423.4908       59.24451 392.8929       113.8725 434.8470       69.37284 64.20290 10.76757 70.16109 5.843301 -5.958191      12.25091 
1 1 1 4   19 12 o 55.91782 5.731534 277.3222       53.95645 345.9791       107.7161 254.3248       62.34156 59.89303 10.93472 53.01820 7.061333 6.874832       13.01655 
1 1 1 4   19 13 o 27.93297 8.155956 72.41735       41.33002 -43.85112      98.03617 97.54810       45.57830 23.61049 10.80810 32.19796 8.251635 -8.587467      13.59796 
1 1 1 4   19 14 o 57.19366 5.262960 289.2075       50.82528 400.7643       110.1450 259.0280       57.28913 64.60849 10.33137 53.67317 6.375145 10.93532       12.14000 
1 1 1 4   19 15 o 86.94244 7.160141 685.4979       105.3602 690.5618       147.4051 680.2086       150.6514 84.62160 10.42088 83.63609 10.80052 0.9855042      15.00820 
1 1 1 4   20 0  o 21.23037 8.250372 26.97771       42.89976 -15.19897      81.90557 42.92253       50.36015 23.45845 10.37423 24.33421 9.059243 -0.8757591     13.77296 
1 1 1 4   20 1  o 24.27076 8.783837 45.49610       46.80755 33.96107       86.97436 50.19921       55.53602 27.76234 11.41443 25.83311 9.533909 1.929234       14.87228 
1 1 1 4   20 2  o 80.00970 4.889257 557.3512       66.48110 535.2395       110.5856 569.8652       83.19301 76.89326 8.567540 80.48013 6.098673 -3.586868      10.51649 
1 1 1 4   20 3  o 41.89267 7.043698 158.7703       48.60148 255.4326       86.92588 114.8107       58.62021 52.13166 10.12938 34.98263 9.546573 17.14903       13.91910 
1 1 1 4   20 4  o 82.46669 4.392325 590.3713       61.63210 759.6829       105.4047 502.4112       75.97306 92.60938 6.710561 75.53532 5.937758 17.07406       8.960391 
1 1 1 4   20 5  o 21.39973 8.872383 15.19670       53.14685 48.32050       108.3102 4.691902       60.99484 30.84214 12.71590 21.66196 9.268517 9.180178       15.73529 
1 1 1 4   20 6  o 47.53484 9.621142 213.2280       75.41793 244.2307       99.92046 172.1829       114.9701 49.86752 11.89947 41.79977 13.83464 8.067749       18.24813 
1 1 1 4   20 7  o 47.35187 7.603636 205.0303       59.40306 112.6617       120.1491 234.9139       68.34001 36.42299 13.89714 50.49498 8.207318 -14.07199      16.13972 
1 1 1 4   20 8  o 66.68019 5.814724 393.7106       65.54808 384.8823       111.8985 398.3225       80.87674 63.35972 10.72477 66.43157 7.246865 -3.071850      12.94363 
1 1 1 4   20 9  o 25.26024 8.906965 53.53412       47.80641 -51.41324      95.58913 88.53970       55.20665 22.90141 10.55285 30.75636 9.528669 -7.854950      14.21823 
1 1 1 4   20 10 o 62.15304 5.705072 342.6805       59.87570 479.2199       130.2645 306.1057       67.41986 70.22045 11.24256 58.20433 6.918664 12.01612       13.20088 
1 1 1 4   20 11 o 70.92348 7.829687 460.7362       93.24699 0.000000       0.000000 460.7362       93.24699 ?        ?        70.92348 7.829687 0.000000       7.829687 
1 1 1 4   20 12 o 47.35925 7.070415 205.6629       55.42963 114.9642       128.4732 226.4080       61.44257 36.08688 14.20354 49.53009 7.499005 -13.44321      16.06162 
1 1 1 4   20 13 o 60.50429 5.720970 326.9767       58.40816 321.4683       134.1592 328.2650       64.87963 54.23477 14.28673 60.29721 6.398780 -6.062439      15.65423 
1 1 1 4   21 0  o 22.98456 8.791557 36.47715       48.15874 -115.5581      77.40983 132.4772       61.51199 17.35281 8.412638 37.15495 9.619403 -19.80214      12.77910 
1 1 1 4   21 1  o 20.28710 8.354026 15.85498       46.67833 8.482613       91.76217 18.42866       54.21718 25.94323 11.23638 21.75054 8.984900 4.192690       14.38696 
1 1 1 4   21 2  o 50.19516 6.392844 226.4985       53.55338 256.4218       101.6696 215.0081       63.00200 50.66092 11.94637 48.26062 7.919464 2.400295       14.33296 
1 1 1 4   21 3  o 31.17721 9.396471 91.69979       54.16679 198.1761       98.88428 46.05349       64.74459 44.19166 12.52833 25.96680 10.12314 18.22486       16.10706 
1 1 1 4   21 4  o 33.17742 9.646881 105.2130       57.92931 158.1724       110.3409 85.06155       68.06401 39.77320 13.55697 30.69903 10.64033 9.074177       17.23392 
1 1 1 4   21 5  o 24.64173 9.431490 43.46851       55.44700 225.5554       102.9926 -30.84378      65.79563 46.99844 12.58270 19.57980 8.921192 27.41864       15.42440 
1 1 1 4   21 6  o 143.7287 4.487030 1799.786       110.1297 1644.602       190.5567 1877.614       134.9494 133.9058 8.375507 146.1449 5.407360 -12.23911      9.969386 
1 1 1 4   21 7  o 80.53512 7.395690 589.9819       100.5742 558.3650       148.4598 616.7999       136.7299 74.78983 12.03226 80.23416 10.21070 -5.444336      15.78080 
1 1 1 4   21 8  o 79.24816 5.052821 553.5749       68.02299 656.9689       122.1728 507.1224       81.89008 83.94363 8.646581 75.10198 6.447773 8.841644       10.78597 
1 1 1 4   21 9  o 63.89362 6.154121 366.8826       66.31638 411.7251       132.1857 351.7998       76.66219 63.05886 12.71437 61.88189 7.401510 1.176979       14.71182 
1 1 1 4   22 0  o 36.74414 8.703362 129.8972       53.77001 241.4501       98.84802 83.01685       64.08005 48.38488 12.01770 29.93023 10.32705 18.45465       15.84529 
1 1 1 4   22 1  o 50.19769 7.022352 231.2714       58.54821 362.6430       104.4428 171.0703       70.70167 60.81010 10.43342 41.59572 10.06297 19.21438       14.49550 
1 1 1 4   22 2  o 20.66994 8.972013 1.860406       58.76052 -102.9879      114.1260 39.68134       68.54411 22.62826 10.76927 25.39617 10.24727 -2.767912      14.86552 
1 1 1 4   22 3  o 22.54544 9.207463 26.04037       56.12027 -18.50729      114.6763 40.06894       64.35287 26.36323 11.91901 24.96891 9.980249 1.394323       15.54568 
1 1 1 4   22 4  o 30.51000 9.713522 89.31676       56.98523 109.5730       114.9394 82.71501       65.61752 34.70832 13.49997 29.88753 10.44234 4.820789       17.06727 
1 1 1 5   0  0  o 116.4174 6.526662 1168.922       128.8185 1168.922       128.8185 1168.922       128.8185 116.4174 6.526662 116.4174 6.526662 0.000000       0.000000 
1 1 1 5   0  1  o 38.75308 3.894275 132.1064       25.17440 132.1064       25.17440 132.1064       25.17440 38.75308 3.894275 38.75308 3.894275 0.000000       0.000000 
1 1 1 5   0  2  f 22.06605 6.777503 51.82768       22.33127 51.82768       22.33127 51.82768       22.33127 22.06605 6.777503 22.06605 6.777503 0.000000       0.000000 
1 1 1 5   0  3  o 147.1203 3.939931 1852.749       98.82311 1852.749       98.82311 1852.749       98.82311 147.1203 3.939931 147.1203 3.939931 0.000000       0.000000 
1 1 1 5   0  4  f 77.25333 3.941238 513.7889       51.68498 513.7889       51.68498 513.7889       51.68498 77.25333 3.941238 77.25333 3.941238 0.000000       0.000000 
1 1 1 5   0  5  o 174.8167 4.619403 2616.747       137.6844 2616.747       137.6844 2616.747       137.6844 174.8167 4.619403 174.8167 4.619403 0.000000       0.000000 
1 1 1 5   0  6  o 171.7632 4.654637 2526.203       136.3001 2526.203       136.3001 2526.203       136.3001 171.7632 4.654637 171.7632 4.654637 0.000000       0.000000 
1 1 1 5   0  7  o 462.0375 9.066049 18282.13       714.6935 18282.13       714.6935 18282.13       714.6935 462.0375 9.066049 462.0375 9.066049 0.000000       0.000000 
1 1 1 5   0  8  o 114.6828 3.959783 1127.273       77.33856 1127.273       77.33856 1127.273       77.33856 114.6828 3.959783 114.6828 3.959783 0.000000       0.000000 
1 1 1 5   0  9  o 712.5577 12.73614 43494.80       1548.627 43494.80       1548.627 43494.80       1548.627 712.5577 12.73614 712.5577 12.73614 0.000000       0.000000 
1 1 1 5   0  10 o 361.8619 7.625930 11204.81       470.7628 11204.81       470.7628 11204.81       470.7628 361.8619 7.625930 361.8619 7.625930 0.000000       0.000000 
1 1 1 5   0  11 o 130.0756 4.404382 1450.055       97.57821 1450.055       97.57821 1450.055       97.57821 130.0756 4.404382 130.0756 4.404382 0.000000       0.000000 
1 1 1 5   0  12 o 569.3912 9.321246 27745.77       905.7831 27745.77       905.7831 27745.77       905.7831 569.3912 9.321246 569.3912 9.321246 0.000000       0.000000 
1 1 1 5   0  13 o 160.2871 5.389548 2202.376       147.1427 2202.376       147.1427 2202.376       147.1427 160.2871 5.389548 160.2871 5.389548 0.000000       0.000000 
1 1 1 5   0  14 o 17.19277 9.178264 36.18151       36.70768 36.18151       36.70768 36.18151       36.70768 17.19277 9.178264 17.19277 9.178264 0.000000       0.000000 
1 1 1 5   0  15 o 365.7390 7.073124 11452.49       441.3854 11452.49       441.3854 11452.49       441.3854 365.7390 7.073124 365.7390 7.073124 0.000000       0.000000 
1 1 1 5   0  16 o 152.7120 4.343665 1997.579       113.0670 1997.579       113.0670 1997.579       113.0670 152.7120 4.343665 152.7120 4.343665 0.000000       0.000000 
1 1 1 5   0  17 o 23.57520 12.73154 67.83034       71.40114 67.83034       71.40114 67.83034       71.40114 23.57520 12.73154 23.57520 12.73154 0.000000       0.000000 
1 1 1 5   0  18 o 183.7576 6.451074 2900.661       201.8663 2900.661       201.8663 2900.661       201.8663 183.7576 6.451074 183.7576 6.451074 0.000000       0.000000 
1 1 1 5   0  19 o 254.9616 6.215285 5574.535       270.2429 5574.535       270.2429 5574.535       270.2429 254.9616 6.215285 254.9616 6.215285 0.000000       0.000000 
1 1 1 5   0  20 o 87.25191 6.386934 662.3423       93.99127 662.3423       93.99127 662.3423       93.99127 87.25191 6.386934 87.25191 6.386934 0.000000       0.000000 
1 1 1 5   0  21 o 194.6772 18.29153 3405.598       595.7525 3405.598       595.7525 3405.598       595.7525 194.6772 18.29153 194.6772 18.29153 0.000000       0.000000 
1 1 1 5   0  22 f 28.24434 13.22349 100.8901       71.33387 100.8901       71.33387 100.8901       71.33387 28.24434 13.22349 28.24434 13.22349 0.000000       0.000000 
1 1 1 5   0  23 f 120.1092 5.568248 1243.235       113.6489 1243.235       113.6489 1243.235       113.6489 120.1092 5.568248 120.1092 5.568248 0.000000       0.000000 
1 1 1 5   0  24 o 55.60294 9.957891 290.6087       85.52464 290.6087       85.52464 290.6087       85.52464 55.60294 9.957891 55.60294 9.957891 0.000000       0.000000 
1 1 1 5   0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  26 o 126.1687 5.474073 1374.611       117.4357 1374.611       117.4357 1374.611       117.4357 126.1687 5.474073 126.1687 5.474073 0.000000       0.000000 
1 1 1 5   0  27 o 54.59159 9.796869 282.4725       82.57991 282.4725       82.57991 282.4725       82.57991 54.59159 9.796869 54.59159 9.796869 0.000000       0.000000 
1 1 1 5   0  28 o 23.80613 12.19098 74.07236       62.80757 74.07236       62.80757 74.07236       62.80757 23.80613 12.19098 23.80613 12.19098 0.000000       0.000000 
1 1 1 5   0  29 o 24.60549 12.95741 80.15419       72.35515 80.15419       72.35515 80.15419       72.35515 24.60549 12.95741 24.60549 12.95741 0.000000       0.000000 
1 1 1 5   0  30 o 38.16529 13.82079 173.3344       82.68456 173.3344       82.68456 173.3344       82.68456 38.16529 13.82079 38.16529 13.82079 0.000000       0.000000 
1 1 1 5   0  31 o 18.76667 12.25239 1.244975       96.17922 1.244975       96.17922 1.244975       96.17922 18.76667 12.25239 18.76667 12.25239 0.000000       0.000000 
1 1 1 5   1  0  o 427.7558 8.239147 15661.10       601.8386 15706.66       869.2453 15619.15       834.0989 427.8126 11.89835 426.6996 11.44705 1.113068       16.51077 
1 1 1 5   1  1  o 606.9107 9.061836 31549.73       939.1673 31403.96       1626.492 31622.64       1150.309 603.5724 15.78050 607.1332 11.09503 -3.560791      19.29051 
1 1 1 5   1  2  o 177.1181 3.127352 2679.676       94.58921 2479.158       133.8181 2879.902       133.7207 170.3204 4.600936 183.5826 4.265454 -13.26218      6.273971 
1 1 1 5   1  3  o 679.0460 12.20503 39675.01       1415.272 39924.07       2001.595 39426.01       2001.398 678.5665 17.27356 674.2557 17.38229 4.310791       24.50551 
1 1 1 5   1  4  o 397.7170 5.458322 13531.72       370.7108 13158.42       524.2513 13905.06       524.2771 391.7947 7.835721 402.7997 7.622015 -11.00500      10.93131 
1 1 1 5   1  5  o 276.8556 4.193509 6552.323       198.2589 6803.525       277.2902 6289.601       283.5764 281.9642 5.758888 271.0656 6.126235 10.89856       8.408064 
1 1 1 5   1  6  o 411.0551 5.556806 14452.83       390.0563 15061.26       551.7310 13844.87       551.5148 419.2708 7.706031 401.9231 8.035488 17.34772       11.13337 
1 1 1 5   1  7  o 220.3157 3.317692 4146.382       124.8198 4271.511       176.6595 4021.643       176.3844 223.5650 4.627339 216.9217 4.761626 6.643295       6.639680 
1 1 1 5   1  8  o 392.8080 5.745566 13188.56       385.4030 13207.42       545.1001 13169.71       544.9841 392.8786 8.124862 392.3164 8.134773 0.5621948      11.49730 
1 1 1 5   1  9  o 131.7614 3.236501 1482.787       72.82256 1441.932       103.1289 1523.418       102.8450 129.9127 4.648649 133.5356 4.510080 -3.622818      6.476941 
1 1 1 5   1  10 o 398.4682 5.790828 13570.27       394.0363 13431.68       557.2899 13708.83       557.2132 396.2280 8.236338 400.3033 8.151363 -4.075317      11.58801 
1 1 1 5   1  11 o 275.0711 4.096960 6463.870       192.4459 6199.125       272.0306 6729.116       272.2888 269.3015 5.915303 280.5894 5.682725 -11.28781      8.202693 
1 1 1 5   1  12 o 533.6649 6.950926 24358.23       633.4512 24049.19       895.9780 24667.07       895.6924 529.8065 9.903258 536.5931 9.774891 -6.786560      13.91485 
1 1 1 5   1  13 o 279.0831 4.210641 6655.122       200.6706 7091.659       284.3130 6221.775       283.2720 287.9978 5.781034 269.7325 6.149907 18.26538       8.440480 
1 1 1 5   1  14 o 88.63597 3.530582 671.2361       53.43899 705.8100       74.68965 634.9745       76.49082 90.73542 4.837848 86.01663 5.232310 4.718788       7.126138 
1 1 1 5   1  15 o 301.8656 4.239715 7789.515       218.5507 7648.080       309.3095 7930.525       308.8457 298.9293 6.059307 304.4131 5.941230 -5.483826      8.486072 
1 1 1 5   1  16 o 208.8001 4.231115 3728.038       150.8647 3807.954       187.0492 3579.279       255.1990 210.9468 5.192553 204.2897 7.315273 6.657104       8.970832 
1 1 1 5   1  17 o 113.2326 3.692581 1096.267       71.40086 880.3449       125.7296 1199.050       86.74598 101.0022 7.339785 118.3932 4.290626 -17.39102      8.501877 
1 1 1 5   1  18 o 109.2165 3.536495 1019.958       65.95737 965.0813       95.52164 1069.966       91.18501 106.1433 5.269958 111.7947 4.776397 -5.651337      7.112413 
1 1 1 5   1  19 o 207.9401 4.614752 3702.459       163.8659 3850.799       238.1783 3569.138       225.7996 211.7514 6.586792 203.8783 6.485601 7.873138       9.243854 
1 1 1 5   1  20 o 179.2543 3.713624 2749.238       113.6761 2682.900       162.0903 2813.447       159.4665 176.8789 5.366350 181.1614 5.154681 -4.282516      7.440998 
1 1 1 5   1  21 o 42.81357 17.51318 71.64820       203.4468 80.25714       305.9357 64.82278       272.4084 50.66677 21.16992 47.70803 19.95861 2.958740       29.09488 
1 1 1 5   1  22 o 55.43406 10.20854 275.0455       93.07603 377.2073       130.6378 169.7219       132.6440 64.64369 12.28332 44.70913 14.86300 19.93456       19.28183 
1 1 1 5   1  23 o 236.6548 4.174257 4797.715       168.6928 4941.126       239.8902 4657.423       237.2666 239.7834 5.858568 232.7692 5.969104 7.014160       8.363792 
1 1 1 5   1  24 o 113.2562 3.856166 1099.161       74.57951 1179.028       108.2664 1027.040       102.8822 117.0942 5.414473 109.1317 5.538771 7.962509       7.745612 
1 1 1 5   1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   1  26 o 36.81091 7.493703 122.2861       45.50444 195.8885       66.56266 57.70572       62.34974 46.52532 8.697767 27.80807 10.12648 18.71725       13.34904 
1 1 1 5   1  27 o 26.82773 9.170784 59.65142       50.49359 140.8925       75.43176 -6.307083      67.96755 38.93128 10.90920 22.15927 9.633932 16.77201       14.55415 
1 1 1 5   1  28 o 49.80490 6.658733 220.7443       55.21465 250.5174       75.99105 187.4471       80.36282 52.38263 8.807750 44.57367 10.69463 7.808952       13.85466 
1 1 1 5   1  29 o 21.19339 8.728449 16.33340       50.96512 -95.26173      70.34489 139.6285       73.94060 17.12335 8.230873 38.24213 10.83074 -21.11879      13.60339 
1 1 1 5   1  30 o 28.22267 9.808398 68.63631       57.85543 182.0016       95.03653 1.884742       72.92580 42.85803 12.32580 23.16362 10.02472 19.69441       15.88774 
1 1 1 5   1  31 o 59.48191 7.013993 320.3031       69.87459 383.1779       112.1760 280.4402       89.31937 62.86320 10.84124 54.05521 10.04602 8.807991       14.78022 
1 1 1 5   2  0  o 43.21645 3.941628 160.8900       28.76884 165.1384       41.46439 156.9466       39.94852 43.57956 5.709039 42.47482 5.647670 1.104740       8.030522 
1 1 1 5   2  1  o 251.2748 6.476494 5400.737       277.9015 5216.663       392.9290 5584.967       393.0951 246.7170 9.326380 255.3089 9.016327 -8.591919      12.97211 
1 1 1 5   2  2  o 285.5609 5.721346 6973.839       278.9966 7272.346       394.5723 6675.367       394.5493 291.3917 7.929531 279.1369 8.277175 12.25485       11.46251 
1 1 1 5   2  3  o 144.6867 3.643757 1788.854       90.02848 1712.345       150.8854 1831.150       112.1867 141.4497 6.246594 146.3571 4.488752 -4.907379      7.692128 
1 1 1 5   2  4  o 102.7727 2.651400 902.2658       46.53233 907.5015       66.20646 897.1547       65.41401 103.0455 3.762437 102.4570 3.738755 0.5884933      5.304170 
1 1 1 5   2  5  o 117.3869 2.662911 1177.098       53.37996 1269.005       75.77975 1086.580       75.20487 121.8589 3.641614 112.7530 3.905852 9.105888       5.340134 
1 1 1 5   2  6  o 170.0330 3.220499 2469.877       93.51006 2481.300       132.3789 2458.501       132.1079 170.3795 4.549875 169.5945 4.561580 0.7850189      6.442777 
1 1 1 5   2  7  o 365.9559 5.208920 11446.81       325.5205 11916.99       465.7848 10997.94       455.1118 373.2069 7.308593 358.5143 7.433778 14.69254       10.42481 
1 1 1 5   2  8  o 90.90803 3.194461 705.8491       49.59087 675.6069       70.44643 735.5574       69.82191 88.80135 4.661855 92.78834 4.406527 -3.986984      6.414855 
1 1 1 5   2  9  o 476.3011 6.324718 19392.41       514.4281 19528.04       727.6030 19256.85       727.4194 477.6938 8.919551 474.3579 8.980010 3.335846       12.65697 
1 1 1 5   2  10 o 364.7491 5.094312 11368.40       317.3085 11340.24       449.0250 11396.49       448.4595 364.1537 7.220775 365.0580 7.193817 -0.9042969     10.19267 
1 1 1 5   2  11 o 155.3725 3.094170 2061.840       82.09566 2041.755       116.5282 2081.632       115.6781 154.5891 4.414182 156.0930 4.339758 -1.503952      6.190195 
1 1 1 5   2  12 o 214.6255 3.718569 3935.070       136.2885 3941.108       193.0715 3929.074       192.4122 214.7361 5.265157 214.4084 5.255198 0.3276978      7.439017 
1 1 1 5   2  13 o 237.1239 3.974080 4804.181       160.9214 4837.096       225.5594 4770.061       229.6502 237.8574 5.553187 236.1954 5.693685 1.661987       7.953360 
1 1 1 5   2  14 o 15.89722 6.524035 6.770295       28.34761 -47.26320      45.47811 41.10379       36.25183 15.01180 7.037847 22.83859 7.770754 -7.826793      10.48408 
1 1 1 5   2  15 o 192.5723 4.152516 3170.107       136.5548 3114.696       169.8461 3271.402       229.6425 190.8169 5.212391 195.4229 6.881371 -4.606033      8.632628 
1 1 1 5   2  16 o 218.0910 4.155514 4067.230       154.7621 3952.499       263.2455 4127.829       191.3162 214.6738 7.180919 219.6263 5.101118 -4.952530      8.808349 
1 1 1 5   2  17 o 299.4884 4.903814 7677.496       250.7933 7865.865       355.2124 7490.261       354.1406 302.7759 6.870131 295.4267 7.019790 7.349213       9.822227 
1 1 1 5   2  18 o 129.6909 4.471290 1439.578       99.02486 1349.244       140.8830 1527.787       139.2165 125.2057 6.612651 133.4665 6.108246 -8.260826      9.002101 
1 1 1 5   2  19 o 281.1882 4.245608 6767.726       203.8633 6773.262       289.2919 6762.263       287.3305 280.9497 6.029840 280.7299 5.993648 0.2198486      8.501927 
1 1 1 5   2  20 o 219.7525 4.411002 4135.502       165.5285 3998.362       284.7210 4205.521       203.4423 215.4155 7.739996 221.4450 5.379891 -6.029572      9.426068 
1 1 1 5   2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   2  22 o 215.9839 4.041949 3994.291       149.0782 4227.382       213.3625 3771.955       208.3825 221.9028 5.630584 209.5695 5.822793 12.33330       8.099900 
1 1 1 5   2  23 o 23.52646 9.622820 17.82383       61.41551 4.529885       78.43066 38.89670       98.74629 25.00146 10.59762 30.47687 12.29866 -5.475409      16.23473 
1 1 1 5   2  24 o 113.4071 3.999219 1102.566       77.44928 1217.884       113.3240 1001.494       106.0929 118.9641 5.578328 107.6952 5.790089 11.26890       8.040079 
1 1 1 5   2  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   2  26 o 31.74890 8.475937 91.60677       46.81474 112.0913       71.25149 76.04631       62.10007 35.27591 10.80804 30.08833 10.17087 5.187580       14.84117 
1 1 1 5   2  27 o 70.31097 4.819911 428.8244       57.52208 434.2455       82.55618 423.7092       80.19232 70.16251 6.983149 69.33611 6.862972 0.8264008      9.791055 
1 1 1 5   2  28 o 29.66578 8.963893 79.76721       49.24800 79.85804       64.34015 79.63872       76.52945 30.43361 10.35237 31.24822 11.24238 -0.8146172     15.28276 
1 1 1 5   2  29 o 40.58367 8.836812 153.8053       59.50600 289.4673       94.80128 65.60370       76.44048 55.32752 10.41613 29.46563 11.12234 25.86189       15.23818 
1 1 1 5   2  30 o 30.86746 9.627913 88.34539       56.25526 142.0120       78.15447 30.64599       81.03777 38.26108 11.22809 26.49631 10.96820 11.76477       15.69622 
1 1 1 5   2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   3  0  o 486.0890 9.938315 20270.42       824.9554 20495.39       1166.640 20045.44       1166.686 487.6416 14.00987 482.2077 14.16831 5.433899       19.92530 
1 1 1 5   3  1  o 257.7789 5.427847 5682.639       238.9334 5745.525       345.5471 5625.026       330.7445 258.9832 7.813289 256.2798 7.557468 2.703339       10.87027 
1 1 1 5   3  2  o 265.3275 6.256919 6025.631       283.4946 5754.269       409.8463 6274.582       392.5563 258.9053 9.269966 270.4731 8.499160 -11.56775      12.57649 
1 1 1 5   3  3  o 176.5554 4.475506 2665.176       134.9352 2725.596       190.8494 2604.784       190.8049 178.4291 6.263589 174.4191 6.406096 4.009964       8.959387 
1 1 1 5   3  4  o 315.8232 5.247587 8532.078       283.0124 8015.723       476.5068 8813.496       351.7799 305.5510 9.132370 320.8436 6.420602 -15.29257      11.16353 
1 1 1 5   3  5  o 143.9764 3.327672 1771.035       81.81514 1818.928       137.3159 1744.675       101.8716 145.8302 5.514058 142.8751 4.175366 2.955109       6.916539 
1 1 1 5   3  6  o 278.7917 4.169464 6641.363       198.5007 6556.022       277.7870 6730.410       283.7529 276.8926 5.874876 280.5476 5.922864 -3.654999      8.342331 
1 1 1 5   3  7  o 130.7213 2.918658 1459.445       65.15257 1532.061       92.69322 1388.538       91.59589 133.9164 4.053335 127.4868 4.207352 6.429543       5.842203 
1 1 1 5   3  8  o 168.5389 3.132251 2426.028       90.14855 2286.879       127.2955 2566.028       127.6840 163.6082 4.556233 173.3116 4.314267 -9.703430      6.274724 
1 1 1 5   3  9  o 320.4262 4.201868 8771.058       229.9176 8676.830       325.3832 8865.018       324.9225 318.6161 5.980333 322.0568 5.908067 -3.440674      8.406524 
1 1 1 5   3  10 o 233.8670 3.708699 4671.923       148.1127 4844.835       209.9287 4500.537       209.0004 238.1076 5.162934 229.4847 5.333244 8.622864       7.422896 
1 1 1 5   3  11 o 337.1378 4.906246 9712.733       282.4611 9857.610       399.6688 9568.159       399.2522 339.5079 6.893637 334.4787 6.989997 5.029266       9.817449 
1 1 1 5   3  12 f 149.1585 3.100332 1900.328       78.96926 1789.422       111.7365 2011.007       111.6224 144.7103 4.521617 153.4154 4.260693 -8.705124      6.212771 
1 1 1 5   3  13 o 172.0342 3.615474 2528.545       106.2141 2654.648       150.7394 2404.200       149.6848 176.2216 5.009170 167.6942 5.227063 8.527390       7.239749 
1 1 1 5   3  14 o 296.5756 5.328309 7522.717       269.8527 7462.491       381.8152 7582.826       381.4438 295.1323 7.575905 297.5114 7.508015 -2.379059      10.66605 
1 1 1 5   3  15 o 35.29202 5.348013 108.9758       31.22090 138.1254       45.88259 83.84151       42.60537 39.56026 7.050329 30.70423 8.033266 8.856033       10.68834 
1 1 1 5   3  16 o 329.7843 5.287251 9310.170       297.7569 9783.721       503.3253 9055.219       369.3124 337.3122 8.738055 324.9919 6.654561 12.32034       10.98348 
1 1 1 5   3  17 o 203.9442 3.718115 3556.705       129.4900 3540.096       184.1913 3572.935       182.0800 203.3093 5.305298 204.2601 5.220075 -0.9507599     7.442807 
1 1 1 5   3  18 o 203.4580 3.848325 3541.063       133.7052 3644.680       190.2887 3440.022       187.9093 206.2262 5.403399 200.3403 5.492603 5.885956       7.704895 
1 1 1 5   3  19 o 100.8167 3.702672 869.5320       63.74551 769.1350       93.38441 957.1309       87.22952 94.50680 5.814628 105.7006 4.832639 -11.19376      7.560707 
1 1 1 5   3  20 f 129.1161 4.109593 1427.197       90.61105 1503.874       131.9215 1358.715       124.6723 132.3612 5.836509 125.8150 5.802774 6.546188       8.230250 
1 1 1 5   3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   3  22 o 48.38846 7.813584 207.0621       62.36468 317.0782       83.22453 66.16782       94.18243 60.01349 8.346816 32.36425 12.31468 27.64924       14.87685 
1 1 1 5   3  23 o 61.96255 5.469059 332.3563       57.27486 253.7885       88.20120 389.6427       75.31447 53.13237 10.09004 66.92277 6.679493 -13.79040      12.10060 
1 1 1 5   3  24 o 116.5962 3.927700 1165.571       78.20323 1353.929       114.8078 1002.524       106.8162 125.4414 5.359554 107.7138 5.828854 17.72766       7.918356 
1 1 1 5   3  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   3  26 o 200.6211 3.957823 3459.057       135.5923 3397.902       195.0822 3516.212       188.5951 198.1181 5.766225 201.6732 5.476215 -3.555099      7.952250 
1 1 1 5   3  27 o 112.1937 4.025656 1083.551       77.12709 1032.504       110.5497 1131.960       107.6562 108.8356 5.970997 114.2658 5.517229 -5.430176      8.129737 
1 1 1 5   3  28 o 77.64920 5.082159 525.2294       67.01694 567.3781       103.7251 495.0264       87.80457 79.71857 7.715968 74.72662 6.960903 4.991959       10.39184 
1 1 1 5   3  29 o 34.71083 9.806314 113.7276       60.69253 153.1693       85.89295 74.39745       85.77158 39.77107 11.79788 31.07493 11.76917 8.696142       16.66443 
1 1 1 5   3  30 o 69.19415 5.989449 424.4214       70.07349 420.6906       99.30841 428.1208       98.89068 67.48258 8.829486 68.15953 8.694269 -0.6769485     12.39153 
1 1 1 5   4  0  o 189.1498 4.333829 3058.568       139.9844 3156.121       202.6928 2969.609       193.5585 192.0205 6.181429 186.2675 6.085178 5.752975       8.674068 
1 1 1 5   4  1  o 278.8528 5.546823 6653.196       264.1321 6729.689       373.6576 6576.799       373.4209 280.1637 7.810162 276.9503 7.895777 3.213409       11.10594 
1 1 1 5   4  2  o 254.8622 5.697260 5558.478       247.9554 5706.268       359.4265 5424.272       342.5086 257.9249 8.160465 251.4968 7.975116 6.428024       11.41033 
1 1 1 5   4  3  o 376.1654 7.377700 12124.56       473.9165 11994.50       684.6992 12244.17       656.6205 373.4059 10.73783 377.4125 10.18817 -4.006561      14.80202 
1 1 1 5   4  4  o 70.02671 4.501183 420.8945       53.54086 424.1595       75.67121 417.6214       75.76530 70.11414 6.390266 69.56034 6.451756 0.5538025      9.080785 
1 1 1 5   4  5  o 335.4720 6.201910 9625.100       355.2905 9277.768       598.4991 9814.108       441.5006 328.8312 10.65832 338.6050 7.635474 -9.773804      13.11107 
1 1 1 5   4  6  o 181.9749 3.860296 2828.888       119.9593 2706.549       201.5945 2895.954       149.2613 177.9082 6.635606 184.0954 4.747910 -6.187149      8.159285 
1 1 1 5   4  7  o 196.3002 3.564178 3291.358       119.4763 3201.270       200.5066 3340.956       148.7728 193.5266 6.067170 197.7542 4.405508 -4.227615      7.497936 
1 1 1 5   4  8  o 274.9166 4.785207 6457.477       224.6485 6620.185       317.9627 6295.303       317.4398 278.2701 6.691257 271.3478 6.850672 6.922363       9.576253 
1 1 1 5   4  9  o 171.3269 3.012688 2506.938       88.14174 2518.869       125.0026 2495.140       124.3029 171.7102 4.263054 170.8996 4.259299 0.8106232      6.026214 
1 1 1 5   4  10 o 103.8752 3.454957 921.6498       61.28532 755.5742       93.32607 1047.564       81.26199 93.83571 5.853347 110.7319 4.297469 -16.89620      7.261536 
1 1 1 5   4  11 o 223.7329 4.170495 4276.679       159.3380 4395.112       226.8404 4161.333       223.8649 226.7398 5.858560 220.6232 5.942004 6.116547       8.344467 
1 1 1 5   4  12 o 309.0583 5.374030 8165.618       283.6237 8255.615       353.1349 8002.056       476.0670 310.6544 6.656734 305.5928 9.122692 5.061615       11.29317 
1 1 1 5   4  13 o 304.2921 5.188406 7917.329       269.6041 8194.634       455.0777 7767.367       334.6551 309.1838 8.619197 301.2726 6.504830 7.911285       10.79830 
1 1 1 5   4  14 o 272.9964 4.234545 6370.896       197.4084 6313.677       280.1525 6427.324       278.2129 271.6014 6.040329 274.0453 5.945016 -2.443878      8.475186 
1 1 1 5   4  15 o 158.2333 4.431762 2141.285       119.7502 2261.086       170.4317 2024.472       168.2932 162.4778 6.142632 153.7201 6.411119 8.757645       8.878872 
1 1 1 5   4  16 o 192.9545 3.750672 3183.439       123.5851 3184.553       173.3404 3182.288       176.2472 192.8561 5.263377 192.7782 5.353801 0.7788086E-01  7.507751 
1 1 1 5   4  17 o 94.85492 3.472959 769.2959       56.25504 731.1531       83.28862 801.2937       76.28519 92.23653 5.310303 96.75610 4.617000 -4.519569      7.036761 
1 1 1 5   4  18 o 128.6418 3.262587 1414.977       71.67144 1400.510       101.5080 1429.359       101.2101 127.8896 4.647966 129.2049 4.587149 -1.315262      6.530354 
1 1 1 5   4  19 o 198.5023 3.563495 3370.692       120.7935 3387.400       172.1738 3354.497       169.5130 198.8024 5.071583 197.8425 5.017432 0.9599152      7.134114 
1 1 1 5   4  20 o 65.46371 18.00177 397.5523       207.5107 483.7087       288.7553 305.5372       298.4116 71.91714 21.69971 61.29343 22.17923 10.62371       31.02895 
1 1 1 5   4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   4  22 o 233.0358 4.144675 4651.454       164.9359 4554.671       233.3316 4748.110       233.1775 230.2176 5.935169 235.0875 5.808381 -4.869904      8.304427 
1 1 1 5   4  23 o 244.7919 6.003703 5157.662       250.9679 4902.557       355.4962 5411.126       354.3509 237.5902 8.762026 249.8233 8.306131 -12.23306      12.07331 
1 1 1 5   4  24 f 92.12838 4.020617 728.1566       63.25401 750.1872       93.77193 709.7627       85.68359 93.06973 5.931036 90.59470 5.565452 2.475029       8.133354 
1 1 1 5   4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   4  26 f 86.15711 5.939301 646.6346       86.84955 658.5296       134.7602 638.1843       113.5844 85.72192 9.357956 84.94044 7.922148 0.7814865      12.26099 
1 1 1 5   4  27 o 29.70026 9.710656 77.13931       56.70686 48.46425       82.47925 102.8447       78.09171 28.76178 11.36139 34.14075 11.40617 -5.378967      16.09912 
1 1 1 5   4  28 o 80.51509 4.986291 564.6638       68.22044 522.7851       100.4531 600.5130       92.94079 76.37115 7.812488 82.41686 6.660642 -6.045708      10.26641 
1 1 1 5   4  29 o 97.93918 4.442149 831.7387       74.29361 771.2881       105.7348 890.6859       104.4118 93.20030 6.687995 100.4967 6.113138 -7.296410      9.060891 
1 1 1 5   4  30 o 65.67690 6.044287 383.4476       67.02834 317.5412       93.25478 453.8874       96.40867 57.91018 9.778271 70.41048 8.170051 -12.50030      12.74223 
1 1 1 5   5  0  o 238.9258 4.115354 4879.694       167.9083 4842.361       287.6465 4898.989       206.7972 237.7445 7.085111 239.3280 5.059984 -1.583511      8.706448 
1 1 1 5   5  1  o 199.8239 4.482333 3413.619       152.9514 3386.266       221.3857 3438.597       211.5606 198.8819 6.518568 200.4398 6.180862 -1.557816      8.983028 
1 1 1 5   5  2  o 174.2428 4.353435 2595.061       129.5355 2636.881       183.1957 2553.245       183.1861 175.5499 6.111007 172.7375 6.210177 2.812408       8.712675 
1 1 1 5   5  3  o 196.4283 5.611634 3299.341       188.2328 3160.784       266.4109 3437.464       265.9922 192.1029 8.121123 200.3605 7.774183 -8.257645      11.24236 
1 1 1 5   5  4  o 239.5253 6.665286 4907.090       272.6291 4602.512       394.1842 5186.386       377.4702 231.7265 9.961427 246.0745 8.982849 -14.34799      13.41349 
1 1 1 5   5  5  o 130.2099 4.369234 1448.534       97.15186 1474.784       140.9005 1424.745       134.1360 131.3410 6.282178 129.0987 6.084453 2.242294       8.745646 
1 1 1 5   5  6  o 214.2427 4.565373 3921.477       167.0261 3444.825       288.6795 4161.338       204.7840 200.6531 8.424965 220.6696 5.434399 -20.01646      10.02560 
1 1 1 5   5  7  o 131.5169 3.545178 1477.390       79.61990 1619.177       135.6911 1402.938       98.32639 137.6415 5.772978 128.1460 4.493278 9.495544       7.315519 
1 1 1 5   5  8  o 43.45718 7.011022 165.5856       50.25817 162.3506       85.91064 167.2688       61.96836 42.79815 11.50627 43.44843 8.656065 -0.6502838     14.39867 
1 1 1 5   5  9  o 63.26279 3.555152 342.9406       38.25113 224.5214       67.31546 399.4113       46.48531 50.60296 8.060390 68.25967 4.005495 -17.65671      9.000772 
1 1 1 5   5  10 o 461.1255 6.899922 18186.50       543.3319 17836.34       916.4071 18376.31       674.7111 455.9251 11.77045 463.3178 8.527798 -7.392731      14.53502 
1 1 1 5   5  11 o 277.2594 4.675472 6569.500       221.3674 6610.378       276.7802 6496.931       368.7777 278.0519 5.829177 275.5012 7.838613 2.550659       9.768477 
1 1 1 5   5  12 o 363.9561 5.037432 11324.61       313.0834 10654.25       531.3104 11681.21       387.5089 352.5553 8.825089 369.5275 6.140913 -16.97223      10.75142 
1 1 1 5   5  13 o 288.9742 4.873060 7140.471       240.4711 7075.219       411.9168 7174.206       296.1802 287.2367 8.397841 289.5477 5.990098 -2.311035      10.31528 
1 1 1 5   5  14 o 252.7400 4.076437 5460.987       175.9368 5718.921       250.8645 5211.325       246.8094 258.4851 5.683316 246.7285 5.857881 11.75665       8.161792 
1 1 1 5   5  15 o 261.2096 3.981174 5834.390       177.5833 5745.667       252.3506 5921.432       249.9482 259.0134 5.705322 262.9646 5.566097 -3.951172      7.970705 
1 1 1 5   5  16 o 142.9404 3.370639 1746.703       82.27522 1825.751       118.7831 1673.805       114.0695 146.0490 4.762711 139.8386 4.776837 6.210403       6.745486 
1 1 1 5   5  17 o 211.3395 3.584574 3819.739       129.3660 3863.209       184.5048 3777.703       181.4360 212.3651 5.087712 210.0056 5.059302 2.359512       7.175051 
1 1 1 5   5  18 o 128.9734 3.334441 1422.510       73.43870 1529.125       106.4445 1325.663       101.4513 133.6187 4.665027 124.4028 4.775572 9.215836       6.675970 
1 1 1 5   5  19 o 162.1850 3.423616 2250.010       94.81950 2268.236       136.8373 2233.176       131.5113 162.6823 4.925635 161.4389 4.770380 1.243347       6.856997 
1 1 1 5   5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   5  21 o 170.2239 3.661188 2479.853       106.4252 2504.439       151.1145 2455.657       149.9086 170.8665 5.179016 169.1927 5.188514 1.673721       7.330954 
1 1 1 5   5  22 o 343.3380 5.100688 10115.93       299.0560 10059.95       423.7238 10171.50       422.1388 341.5038 7.265833 343.4243 7.198174 -1.920502      10.22771 
1 1 1 5   5  23 o 107.7164 3.983953 994.5952       73.28209 1061.645       108.6119 938.5637       99.28767 110.9060 5.754604 104.2927 5.595356 6.613365       8.026424 
1 1 1 5   5  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   5  25 o 24.51187 9.885392 26.40049       63.75303 58.08974       73.93994 -65.42427      125.8644 29.04680 10.94483 27.04771 12.32965 1.999096       16.48665 
1 1 1 5   5  26 o 58.95969 6.883178 307.2964       67.99758 266.8976       91.16666 357.9489       102.0828 53.78456 10.30115 62.66242 9.866136 -8.877861      14.26374 
1 1 1 5   5  27 o 64.85210 7.922686 376.8239       85.91583 373.4302       117.6728 380.6985       125.7340 63.08715 11.33965 63.35891 12.06158 -0.2717590     16.55504 
1 1 1 5   5  28 o 53.17624 6.876635 253.2794       60.98190 303.5472       86.29012 203.1250       86.19283 57.36249 9.113928 45.94893 11.10758 11.41356       14.36809 
1 1 1 5   5  29 o 145.3611 3.953792 1827.115       98.14404 1918.734       139.9963 1738.571       137.6273 148.0688 5.536703 140.8286 5.722844 7.240204       7.962790 
1 1 1 5   5  30 o 74.35255 5.542660 488.5165       69.86901 470.6004       105.8961 502.3284       92.97874 71.12645 8.914418 74.43462 7.413507 -3.308167      11.59426 
1 1 1 5   6  0  o 285.5829 4.673289 6970.697       227.9065 7078.661       382.8118 6911.420       283.6537 287.5265 7.796605 284.2850 5.842956 3.241516       9.743058 
1 1 1 5   6  1  o 156.7529 3.704919 2099.199       99.17364 2310.937       167.1508 1984.167       123.2020 164.3936 5.954175 152.3698 4.734966 12.02386       7.607372 
1 1 1 5   6  2  o 260.8592 4.525301 5814.531       201.5838 5742.098       346.6236 5851.550       247.7980 259.0326 7.836133 261.6383 5.546185 -2.605774      9.600268 
1 1 1 5   6  3  o 164.2633 4.389059 2305.304       123.1158 2226.019       178.3699 2377.446       170.1452 161.3538 6.473519 166.7686 5.974527 -5.414856      8.809167 
1 1 1 5   6  4  o 403.5789 7.193778 13928.55       495.7782 14105.64       716.3632 13765.75       686.8406 405.7999 10.33759 400.9185 10.03224 4.881348       14.40526 
1 1 1 5   6  5  o 172.8026 3.933661 2550.755       116.0778 2509.432       169.0229 2587.643       159.6917 171.3523 5.776354 174.0134 5.374000 -2.661163      7.889623 
1 1 1 5   6  6  o 260.9706 5.161779 5819.708       230.0345 6011.822       333.3419 5645.041       317.8468 265.1338 7.362460 256.9252 7.244514 8.208588       10.32903 
1 1 1 5   6  7  o 248.1397 5.200796 5261.778       220.3779 4837.601       382.0435 5473.305       269.7875 237.6987 9.412046 253.0309 6.243760 -15.33224      11.29474 
1 1 1 5   6  8  o 249.0665 4.987089 5301.043       212.1116 5193.865       370.2671 5353.397       258.7823 246.3208 8.802622 250.2444 6.055756 -3.923569      10.68449 
1 1 1 5   6  9  o 407.6186 6.107900 14205.81       425.1555 13942.24       717.3246 14348.54       527.8640 403.3008 10.41561 409.5156 7.548310 -6.214783      12.86320 
1 1 1 5   6  10 o 188.7678 5.125245 3045.750       165.2131 2895.482       235.2652 3191.953       232.0610 183.9402 7.489953 193.1537 7.035535 -9.213486      10.27610 
1 1 1 5   6  11 o 75.36751 4.115542 486.8503       52.76757 546.3199       92.46832 458.1322       64.25748 79.60344 6.869643 73.01825 5.187107 6.585190       8.608024 
1 1 1 5   6  12 o 215.1343 4.029391 3955.624       148.0304 4359.791       212.4255 3574.068       206.3978 225.7619 5.510030 204.3803 5.913765 21.38158       8.082887 
1 1 1 5   6  13 o 263.5881 4.473199 5941.029       201.3474 5927.486       342.1116 5948.206       249.0487 262.9208 7.619753 263.6449 5.531756 -0.7240906     9.415996 
1 1 1 5   6  14 o 124.4232 3.314846 1323.131       70.43145 1311.526       103.8782 1333.006       95.81935 123.8033 4.913495 124.8350 4.494848 -1.031693      6.659286 
1 1 1 5   6  15 o 201.3175 3.689292 3465.435       126.8313 3549.751       181.9209 3385.694       176.9169 203.6044 5.232311 198.8462 5.210147 4.758194       7.383950 
1 1 1 5   6  16 o 121.0787 3.295575 1253.345       68.13979 1370.082       101.0466 1155.990       92.27775 126.5087 4.677344 116.2065 4.650125 10.30216       6.595545 
1 1 1 5   6  17 o 84.29507 3.514762 607.7202       50.59412 555.3852       77.28701 646.9656       66.92763 80.27807 5.674327 86.80890 4.530517 -6.530830      7.261100 
1 1 1 5   6  18 o 108.8514 3.513602 1013.558       65.31134 1008.762       98.84226 1017.274       87.01284 108.4619 5.336586 108.9727 4.675883 -0.5107956     7.095282 
1 1 1 5   6  19 o 182.0674 14.21439 2939.698       438.4359 2803.603       536.3173 3213.892       761.2557 175.7606 18.12923 183.7632 24.90013 -8.002594      30.80074 
1 1 1 5   6  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   6  21 o 120.1551 3.714215 1235.840       76.20985 1356.797       115.0795 1141.357       101.7088 125.7249 5.360123 115.3339 5.164155 10.39100       7.443078 
1 1 1 5   6  22 o 106.7414 3.760368 975.8632       68.54333 964.0807       101.7802 985.6417       92.72162 105.7401 5.657169 107.1391 5.067934 -1.399086      7.595230 
1 1 1 5   6  23 o 208.7410 3.901804 3736.603       139.0834 3587.555       197.3492 3883.685       196.0444 204.0458 5.663773 212.3864 5.405376 -8.340591      7.829202 
1 1 1 5   6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   6  25 o 49.87225 8.133526 223.5386       66.88127 270.3587       101.6725 187.8250       88.79812 53.87835 11.40603 44.80264 11.53689 9.075703       16.22335 
1 1 1 5   6  26 o 101.8577 6.561744 908.9412       113.5268 1043.978       159.2171 769.2816       161.9192 108.1859 8.691575 91.85205 10.51234 16.33386       13.64012 
1 1 1 5   6  27 o 134.9782 4.233710 1573.284       97.58581 1463.028       146.6827 1660.833       130.7088 128.9276 6.685357 138.1306 5.541316 -9.203018      8.683328 
1 1 1 5   6  28 o 90.65804 5.583895 721.0558       86.02554 724.4581       114.5893 716.6620       130.2214 89.90088 7.533566 88.71933 8.707537 1.181549       11.51416 
1 1 1 5   6  29 o 52.67387 7.878366 254.2286       68.68871 358.1664       104.0489 173.9422       91.44752 61.37872 10.29129 41.85212 12.10661 19.52659       15.88964 
1 1 1 5   6  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   7  0  o 395.1339 6.433388 13348.44       434.0963 14316.18       731.1910 12821.69       539.4521 408.7645 10.47504 387.1047 8.160607 21.65976       13.27863 
1 1 1 5   7  1  o 399.9032 6.175658 13670.57       421.7354 14167.71       710.2831 13399.86       524.1262 406.6983 10.22721 395.7914 7.754748 10.90692       12.83479 
1 1 1 5   7  2  o 299.1389 5.472554 7647.265       279.5535 8444.688       483.7321 7247.393       342.5478 314.1080 9.018284 291.1369 6.890044 22.97113       11.34910 
1 1 1 5   7  3  o 133.8099 3.771170 1529.439       86.17202 1552.926       145.4864 1516.746       106.9510 134.7819 6.321045 133.2379 4.700617 1.543976       7.877272 
1 1 1 5   7  4  o 424.1343 5.927715 15375.91       429.3314 16015.80       743.0466 15055.22       526.0258 432.4376 10.06215 419.5689 7.341788 12.86868       12.45587 
1 1 1 5   7  5  o 498.0202 8.094213 21220.55       688.3725 21490.97       1014.831 20990.09       936.8495 500.5934 11.87154 494.8647 11.08617 5.728699       16.24304 
1 1 1 5   7  6  o 378.3925 6.931250 12244.43       447.8742 12866.20       647.7690 11674.96       619.9275 387.5791 9.787188 369.1955 9.832922 18.38361       13.87355 
1 1 1 5   7  7  o 389.8951 6.877419 13001.15       457.9048 13243.81       662.2778 12778.90       633.8102 393.1756 9.863968 386.2462 9.609329 6.929413       13.77088 
1 1 1 5   7  8  o 181.6269 3.841888 2818.218       119.1590 2897.209       207.9242 2779.587       145.4057 184.0539 6.615429 180.3521 4.721263 3.701767       8.127376 
1 1 1 5   7  9  o 181.8450 4.586804 2825.964       142.4339 2585.690       660.8757 2837.669       145.8619 170.5840 23.29618 182.2176 4.687590 -11.63359      23.76311 
1 1 1 5   7  10 o 214.1610 4.944323 3921.003       180.8211 3963.630       264.9642 3883.846       247.3798 215.1700 7.211133 213.0248 6.800363 2.145187       9.911880 
1 1 1 5   7  11 o 227.3972 4.387294 4420.331       170.3664 4540.725       288.2792 4355.716       211.1923 230.2299 7.332458 225.6546 5.480649 4.575363       9.154368 
1 1 1 5   7  12 o 122.3680 3.509546 1279.684       73.33661 1074.868       126.7489 1382.758       89.91593 111.8190 6.668166 127.1781 4.140210 -15.35915      7.848934 
1 1 1 5   7  13 o 137.4794 3.817655 1615.889       89.62643 1658.343       156.8447 1595.305       109.2143 139.0938 6.603286 136.5561 4.683455 2.537674       8.095563 
1 1 1 5   7  14 o 222.4509 4.256839 4233.132       161.7049 4341.555       274.0319 4175.208       200.2951 224.8973 7.135342 220.8074 5.311958 4.089920       8.895505 
1 1 1 5   7  15 o 187.2093 4.093895 2998.326       130.8778 3051.572       222.6578 2970.218       161.7757 188.5220 6.916303 186.2305 5.086988 2.291565       8.585609 
1 1 1 5   7  16 o 200.3704 4.206820 3436.104       143.9426 3586.535       251.2995 3362.648       175.6039 204.2435 7.205124 198.0948 5.191098 6.148682       8.880389 
1 1 1 5   7  17 o 256.5890 4.179893 5635.927       183.1492 5526.482       260.9459 5742.187       257.1207 253.7348 6.022385 258.6846 5.820559 -4.949753      8.375442 
1 1 1 5   7  18 o 171.0345 3.416642 2502.395       99.78955 2757.035       145.9986 2279.137       136.7066 179.3664 4.766569 163.0635 4.909428 16.30284       6.842708 
1 1 1 5   7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   7  20 o 164.6503 3.625099 2320.193       101.9259 2397.733       149.9563 2253.607       138.9608 167.1620 5.253214 162.0949 5.020198 5.067078       7.266268 
1 1 1 5   7  21 o 73.74147 4.252100 467.5260       53.31770 380.9648       82.47086 529.6870       69.88719 66.02406 7.444659 78.37190 5.252367 -12.34784      9.110999 
1 1 1 5   7  22 o 38.22708 7.818027 131.1967       49.31403 80.76105       70.38279 179.8325       69.11561 31.53201 10.82624 44.59337 9.373786 -13.06137      14.32045 
1 1 1 5   7  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   7  24 o 107.1500 4.267825 987.3263       78.09094 874.2524       115.9743 1081.119       105.6244 100.0542 6.828518 111.8539 5.529827 -11.79969      8.786788 
1 1 1 5   7  25 o 155.1646 4.132270 2072.426       109.4922 2004.528       157.3438 2136.176       152.4623 151.8949 6.066031 156.9669 5.687905 -5.072083      8.315587 
1 1 1 5   7  26 o 117.0840 4.328510 1182.965       86.54420 1256.073       132.1186 1128.017       114.5392 119.7010 6.487676 113.6668 5.921388 6.034164       8.783665 
1 1 1 5   7  27 o 68.79622 6.569448 419.8784       76.24026 561.2870       163.7652 380.7500       86.14490 75.86658 13.11511 64.92881 7.934534 10.93777       15.32850 
1 1 1 5   7  28 o 90.31202 6.355425 722.3953       97.39008 698.6871       122.6591 762.8359       160.1993 87.72438 8.286127 90.03957 10.62356 -2.315186      13.47294 
1 1 1 5   7  29 o 34.27551 10.09317 112.9431       63.05725 124.8993       102.8946 105.7521       79.79790 36.41261 13.04269 33.63773 11.52865 2.774879       17.40751 
1 1 1 5   8  0  o 234.8716 3.907998 4712.350       156.7425 4773.899       224.3562 4653.665       219.0729 236.3434 5.558947 233.3507 5.497658 2.992783       7.818321 
1 1 1 5   8  1  o 295.8419 5.177231 7479.190       261.5527 7856.695       433.5955 7263.253       327.9344 303.0111 8.379620 291.4644 6.588695 11.54666       10.65969 
1 1 1 5   8  2  o 181.2411 4.124913 2806.209       127.6654 2927.591       218.5471 2743.334       157.2928 185.0289 6.916777 179.1724 5.140860 5.856445       8.618018 
1 1 1 5   8  3  o 391.4707 6.404565 13102.38       428.1449 13290.08       739.3126 13007.66       525.1714 393.7538 10.99516 389.9188 7.887239 3.834991       13.53152 
1 1 1 5   8  4  o 464.8102 7.141851 18478.48       566.8764 19754.98       980.9047 17838.37       694.6169 479.8551 11.97057 456.4713 8.911073 23.38382       14.92319 
1 1 1 5   8  5  o 534.7009 7.021788 24453.96       641.1514 24246.66       1108.677 24558.13       785.8961 531.4946 12.21530 535.6071 8.592447 -4.112488      14.93465 
1 1 1 5   8  6  f 135.5244 3.453394 1568.923       79.92184 1615.121       132.8398 1542.714       100.0566 137.4532 5.659412 134.3697 4.360560 3.083481       7.144469 
1 1 1 5   8  7  o 216.7038 6.437612 4016.484       238.2282 3921.759       271.7805 4330.642       494.9500 214.0723 7.434574 224.0644 12.99136 -9.992157      14.96824 
1 1 1 5   8  8  o 214.4695 6.167356 3934.477       225.8742 2463.028       794.0661 4064.018       235.6071 164.3129 29.37810 217.9611 6.330054 -53.64818      30.05232 
1 1 1 5   8  9  o 317.3456 6.158928 8616.970       333.7640 8748.319       484.3853 8498.231       460.5440 319.3915 8.881078 314.8412 8.565991 4.550262       12.33895 
1 1 1 5   8  10 o 84.91766 4.498906 618.2353       65.00629 472.7191       117.4386 682.5176       78.05503 73.58044 9.573174 89.18182 5.147217 -15.60138      10.86920 
1 1 1 5   8  11 o 185.6843 3.851825 2947.287       122.1360 3187.187       218.0231 2837.569       147.4433 192.8770 6.619422 182.1415 4.740393 10.73558       8.141748 
1 1 1 5   8  12 f 59.60714 3.967849 305.1488       40.15751 431.2594       78.77859 260.8749       46.67732 70.62189 6.609171 54.98308 5.026978 15.63881       8.303714 
1 1 1 5   8  13 o 362.6721 6.111640 11275.04       378.5070 11220.29       658.0984 11302.10       462.6964 360.3268 10.69528 362.7539 7.469339 -2.427032      13.04531 
1 1 1 5   8  14 o 232.2381 4.493853 4616.084       178.2191 4377.597       297.4038 4749.709       222.6174 225.6364 7.718547 235.4304 5.537258 -9.794006      9.499326 
1 1 1 5   8  15 o 181.3812 4.047316 2815.203       125.3607 2909.613       215.4671 2766.892       154.1334 184.0206 6.856659 179.7118 5.022480 4.308807       8.499358 
1 1 1 5   8  16 o 106.0869 3.759728 962.9402       68.11145 983.4518       118.7245 952.8775       83.15704 106.7893 6.541981 105.4754 4.616850 1.313820       8.007049 
1 1 1 5   8  17 o 85.96141 3.934078 632.4950       57.74953 607.0786       100.9611 644.8547       70.40434 83.68332 7.133116 86.61579 4.778413 -2.932472      8.585720 
1 1 1 5   8  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   8  19 o 121.3361 3.973745 1260.552       82.33642 1220.561       149.4510 1277.979       98.65915 118.7648 7.405912 122.1011 4.731685 -3.336357      8.788423 
1 1 1 5   8  20 o 174.8062 4.263073 2618.262       127.2569 2669.097       222.6807 2593.608       155.0745 175.8708 7.414585 173.8282 5.224182 2.042664       9.070179 
1 1 1 5   8  21 o 141.2894 4.326039 1712.128       104.3763 1664.466       183.7690 1734.826       126.8172 138.4024 7.807345 142.0770 5.227002 -3.674561      9.395541 
1 1 1 5   8  22 o 116.7776 4.151344 1170.626       82.78471 1223.686       133.0857 1137.138       105.7296 118.7383 6.589427 114.8849 5.389293 3.853386       8.512639 
1 1 1 5   8  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   8  24 o 111.4750 4.491945 1070.681       85.50941 1083.635       130.1685 1060.847       113.4128 111.2742 6.884108 110.4048 6.038389 0.8694611      9.157133 
1 1 1 5   8  25 o 74.42633 5.305303 482.3421       66.98631 469.4792       101.9445 492.1156       88.86303 72.37686 8.404729 74.63220 7.056284 -2.255341      10.97409 
1 1 1 5   8  26 o 160.2358 4.022698 2215.440       110.0725 2321.132       166.3344 2133.095       146.8180 162.9872 5.976223 156.5232 5.492860 6.463928       8.117065 
1 1 1 5   8  27 o 37.09730 9.679793 130.6304       61.96911 71.36848       107.1483 160.4155       75.96213 32.44513 12.90721 40.79419 10.75231 -8.349060      16.79905 
1 1 1 5   8  28 o 62.32857 6.700407 348.3307       70.19666 419.2632       130.2629 319.3024       83.33140 65.24270 12.13869 58.78666 8.551646 6.456043       14.84851 
1 1 1 5   8  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   9  0  o 122.3848 3.608832 1279.452       75.42167 1159.098       113.4646 1374.727       100.9531 116.4469 5.705981 126.8405 4.660790 -10.39359      7.367576 
1 1 1 5   9  1  o 259.8980 4.635524 5771.766       205.7328 5784.817       356.4421 5765.246       251.9341 259.9938 8.028312 259.7015 5.680813 0.2922668      9.834908 
1 1 1 5   9  2  o 481.9448 7.064823 19868.08       581.4341 20146.49       991.7988 19722.29       717.6993 484.4837 11.98788 479.9395 8.756974 4.544128       14.84567 
1 1 1 5   9  3  o 413.1791 6.276088 14598.08       442.8221 15252.31       766.8423 14270.77       542.3964 421.7471 10.64761 408.3580 7.778107 13.38910       13.18600 
1 1 1 5   9  4  f 216.1663 3.797674 3992.071       140.1870 4038.214       237.5034 3967.399       173.6667 217.2969 6.400508 215.4635 4.719986 1.833389       7.952658 
1 1 1 5   9  5  o 276.2778 5.010620 6524.329       236.3956 6776.321       406.4375 6395.500       290.6070 281.2799 8.461612 273.4560 6.223243 7.823944       10.50370 
1 1 1 5   9  6  o 371.2986 6.826104 11797.77       432.8108 12588.69       624.8350 11068.25       600.0886 383.1289 9.550333 359.2088 9.782876 23.92010       13.67163 
1 1 1 5   9  7  o 124.4557 5.244180 1324.531       111.4536 1770.508       407.9802 1288.564       115.8608 141.8593 17.19259 122.7439 5.527574 19.11537       18.05933 
1 1 1 5   9  8  o 47.97441 5.233866 199.1839       42.18226 163.0622       73.97145 216.5905       51.34968 42.71151 10.26844 49.93138 6.152441 -7.219875      11.97052 
1 1 1 5   9  9  o 223.5027 3.884290 4269.870       148.2505 4220.015       261.8883 4293.379       179.8397 221.9303 6.910310 224.0600 4.700233 -2.129669      8.357306 
1 1 1 5   9  10 o 166.1606 4.017958 2360.614       114.0080 2767.581       206.9648 2183.326       136.6021 179.6901 6.744823 159.7386 5.007783 19.95149       8.400626 
1 1 1 5   9  11 o 129.5594 3.702023 1435.147       81.90491 1517.695       146.5439 1397.646       98.77249 133.0507 6.449834 127.8128 4.525428 5.237885       7.879077 
1 1 1 5   9  12 o 170.3667 3.963066 2482.531       115.2970 2405.045       202.8526 2519.509       140.1331 167.3669 7.097559 171.5629 4.783166 -4.195999      8.558857 
1 1 1 5   9  13 o 166.9595 3.860060 2384.442       110.0544 2455.413       194.5277 2351.032       133.4679 169.1111 6.736084 165.7113 4.716531 3.399811       8.223167 
1 1 1 5   9  14 o 79.72207 3.753515 543.7076       51.09973 630.2086       96.94781 510.4312       60.13059 85.39221 6.702247 77.07167 4.589546 8.320541       8.123056 
1 1 1 5   9  15 o 130.8347 3.769973 1464.665       84.22930 1387.301       150.3909 1500.024       101.6715 126.8206 6.971081 132.3452 4.498721 -5.524597      8.296654 
1 1 1 5   9  16 o 167.4554 3.913949 2400.200       111.9222 2551.071       198.7170 2330.105       135.4491 172.2162 6.757081 164.8879 4.810448 7.328308       8.294489 
1 1 1 5   9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   9  18 o 72.71650 4.290701 454.5085       53.04383 324.7637       103.4239 500.8187       61.78941 60.28543 10.42345 76.28706 4.766984 -16.00163      11.46178 
1 1 1 5   9  19 o 28.21378 7.774065 70.87154       38.65427 25.18636       78.30420 85.59114       44.44732 26.71763 10.88969 30.92407 8.260315 -4.206438      13.66815 
1 1 1 5   9  20 o 107.7238 4.459892 995.4162       82.04230 1279.555       160.6319 895.1356       95.42789 121.3213 7.794667 101.8851 5.505255 19.43618       9.542781 
1 1 1 5   9  21 o 135.0789 4.206464 1566.168       97.03016 1670.816       172.3378 1517.599       117.4072 138.6018 7.307134 132.7881 5.177661 5.813629       8.955579 
1 1 1 5   9  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   9  23 o 56.19794 6.319960 277.5654       59.59866 400.6237       107.3919 222.7975       71.64384 66.53629 9.740153 49.59509 8.780725 16.94120       13.11380 
1 1 1 5   9  24 o 125.9172 4.389992 1367.132       94.39538 1398.161       161.1286 1350.918       116.4760 125.9448 7.526316 124.8335 5.463907 1.111229       9.300522 
1 1 1 5   9  25 o 38.14129 9.200534 135.5410       59.23327 45.01877       119.0002 165.3561       68.29491 31.99048 13.27085 42.03554 9.709799 -10.04506      16.44371 
1 1 1 5   9  26 o 94.31310 4.685868 771.9929       75.46819 688.9459       132.3267 812.0261       91.87476 86.81080 9.059791 96.23696 5.614902 -9.426163      10.65866 
1 1 1 5   9  27 o 102.8252 4.731257 919.7214       83.07652 1200.484       142.8504 776.2328       102.1222 115.8438 7.257794 93.53873 6.432423 22.30506       9.698023 
1 1 1 5   9  28 o 61.69794 7.331960 346.2658       75.73666 353.7260       169.6764 344.4096       84.63580 55.90823 16.58129 60.99815 8.344015 -5.089924      18.56238 
1 1 1 5   10 0  o 182.7257 3.415051 2852.254       106.5611 2780.371       158.1689 2912.000       144.1984 180.3516 5.135696 184.5929 4.574498 -4.241302      6.877602 
1 1 1 5   10 1  o 104.9064 3.301130 940.1262       59.13799 897.1038       86.34759 978.1351       81.16071 102.4473 4.935689 106.9851 4.442431 -4.537773      6.640498 
1 1 1 5   10 2  f 275.1789 4.795821 6472.457       225.3616 6560.794       372.3391 6421.387       283.1075 276.7979 7.877238 274.0039 6.050519 2.793915       9.932757 
1 1 1 5   10 3  o 295.8002 5.419415 7481.865       273.7492 7650.949       488.2621 7404.348       330.5966 298.6573 9.573656 294.1609 6.581297 4.496399       11.61759 
1 1 1 5   10 4  o 237.9641 4.184566 4839.623       170.0450 4771.394       290.3111 4875.256       209.8017 236.0589 7.201806 238.7800 5.145281 -2.721146      8.850985 
1 1 1 5   10 5  o 79.39339 4.060473 540.1364       54.86652 451.7823       233.6996 545.2905       56.44413 70.76186 18.95784 79.76530 4.158238 -9.003441      19.40852 
1 1 1 5   10 6  o 256.2056 4.501823 5612.208       196.9604 5563.731       340.4327 5636.599       241.4795 254.7506 7.825537 256.6759 5.509260 -1.925278      9.570317 
1 1 1 5   10 7  o 137.8205 3.580793 1623.363       84.27428 1761.484       143.7165 1550.980       104.0388 143.4484 5.866907 134.6745 4.523850 8.773895       7.408496 
1 1 1 5   10 8  o 257.1880 4.867788 5659.102       213.7885 5977.113       375.8188 5506.958       259.9461 263.8024 8.342531 253.5746 6.003103 10.22787       10.27789 
1 1 1 5   10 9  o 97.71394 3.793664 816.3710       63.30198 852.2153       111.2502 799.2094       76.97844 99.48195 6.585951 96.64716 4.664210 2.834793       8.070292 
1 1 1 5   10 10 o 374.6281 5.642820 12024.27       360.9928 12385.92       713.9009 11900.04       418.4300 378.3932 11.04823 372.4592 6.578732 5.933929       12.85858 
1 1 1 5   10 11 o 257.8212 3.842028 5685.440       169.1535 5681.216       338.2563 5686.849       195.3315 257.0518 7.705901 257.7785 4.437350 -0.7267151     8.892186 
1 1 1 5   10 12 o 50.68966 3.933347 221.1482       33.78075 201.7897       69.29136 227.1837       38.69000 47.62900 8.844955 51.32353 4.458794 -3.694530      9.905255 
1 1 1 5   10 13 o 147.6221 3.757995 1864.434       94.73476 1902.878       167.6816 1846.410       114.8143 148.8256 6.597905 146.8354 4.578924 1.990189       8.031120 
1 1 1 5   10 14 o 137.7009 3.800683 1622.608       89.37174 1502.651       159.9205 1677.086       107.7718 131.9566 7.123327 139.9298 4.510172 -7.973175      8.431100 
1 1 1 5   10 15 o 27.41462 6.750154 67.21164       31.39044 260.9604       86.29395 37.66455       33.69910 54.07922 9.700747 21.85958 7.491900 32.21964       12.25696 
1 1 1 5   10 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   10 17 o 78.89121 4.014944 534.3145       53.91047 699.2417       105.5264 476.0684       62.71162 89.84900 6.931305 74.34210 4.968432 15.50690       8.528089 
1 1 1 5   10 18 o 70.67700 4.635598 430.1051       55.63822 420.1057       100.9066 434.4731       66.69234 69.10856 8.746162 70.90842 5.552117 -1.799866      10.35960 
1 1 1 5   10 19 o 141.7408 4.331679 1722.923       104.8463 1659.096       194.6654 1749.004       124.4373 138.0506 8.296006 142.6879 5.106948 -4.637299      9.741900 
1 1 1 5   10 20 o 91.63769 4.644008 723.4048       72.43491 639.2221       148.4154 749.7268       82.99020 84.56998 10.50302 93.18354 5.236604 -8.613564      11.73607 
1 1 1 5   10 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   10 22 o 19.57880 8.275770 4.394949       47.61366 128.0475       93.99911 -38.28090      55.22214 37.96391 12.50675 17.54102 8.059812 20.42288       14.87882 
1 1 1 5   10 23 o 50.02474 7.079983 223.0257       58.79197 239.5446       121.9255 218.0213       67.10925 49.77413 13.84207 49.07914 8.303407 0.6949921      16.14154 
1 1 1 5   10 24 o 63.21928 5.789330 350.7467       61.80587 419.8108       110.9716 319.6894       74.41610 67.59443 9.908013 59.80025 7.448681 7.794182       12.39563 
1 1 1 5   10 25 o 49.52460 6.932050 220.4342       57.01873 172.0858       105.1957 240.5477       67.85017 41.98599 13.17732 51.37635 7.993556 -9.390358      15.41229 
1 1 1 5   10 26 f 54.55803 6.805504 267.3893       62.02586 295.4287       109.4434 254.1218       75.28348 54.80330 12.02480 52.36487 8.726032 2.438423       14.85730 
1 1 1 5   10 27 f 27.92966 10.39671 62.50920       66.32442 -22.50191      120.4955 99.46068       79.44177 27.29088 12.28904 32.91774 11.49043 -5.626863      16.82411 
1 1 1 5   11 0  o 309.5453 4.646481 8192.106       245.6124 8183.685       352.7573 8200.031       342.1809 309.1678 6.681591 309.5022 6.474260 -0.3344421     9.303746 
1 1 1 5   11 1  o 319.9505 4.611578 8752.330       251.9616 8914.504       358.1737 8593.458       354.5096 322.6865 6.499964 316.8157 6.552685 5.870758       9.229692 
1 1 1 5   11 2  o 92.17566 3.742965 726.1219       58.91610 645.6497       90.61558 785.0510       77.54328 86.63154 6.165505 95.81606 4.739188 -9.184525      7.776462 
1 1 1 5   11 3  o 119.8449 4.054844 1227.765       82.98423 1193.983       110.7875 1270.945       125.2545 118.1275 5.492091 121.8491 6.019622 -3.721603      8.148553 
1 1 1 5   11 4  o 236.2084 7.879755 4786.501       317.8410 6463.558       1096.314 4632.605       332.1044 268.2618 24.19203 232.3094 8.371548 35.95236       25.59955 
1 1 1 5   11 5  o 129.9954 3.481143 1444.336       77.27727 1284.144       127.8197 1536.620       97.01565 122.4455 6.112980 134.0513 4.238076 -11.60579      7.438402 
1 1 1 5   11 6  o 307.2100 5.645025 8081.862       296.1441 8278.537       513.3751 7983.776       362.5463 310.0446 9.696358 305.1089 6.958355 4.935699       11.93474 
1 1 1 5   11 7  o 124.1423 3.931416 1317.921       83.34326 1461.167       147.7401 1251.057       100.9374 130.3569 6.659077 120.9006 4.889021 9.456261       8.261104 
1 1 1 5   11 8  o 166.7734 3.833680 2378.627       109.1804 2260.797       196.4622 2431.278       131.3272 162.2738 7.089712 168.5524 4.562656 -6.278656      8.431005 
1 1 1 5   11 9  o 268.0431 4.962975 6152.460       227.1687 6272.952       399.8219 6095.019       276.0561 269.8476 8.676532 266.5975 6.063723 3.250092       10.58541 
1 1 1 5   11 10 o 106.2232 3.569209 964.9974       64.74306 857.0161       114.3560 1015.936       78.54309 99.66668 6.758994 108.9549 4.221426 -9.288254      7.968966 
1 1 1 5   11 11 o 165.0036 3.378011 2328.375       95.18235 2370.856       191.6414 2314.464       109.6647 166.1046 6.756255 164.4658 3.904713 1.638733       7.803445 
1 1 1 5   11 12 o 171.2406 3.399610 2508.088       99.41174 2566.273       201.5974 2489.394       114.2715 172.7583 6.833514 170.5519 3.923552 2.206467       7.879795 
1 1 1 5   11 13 o 324.2285 4.807645 9009.307       266.1862 8659.561       533.6881 9125.125       307.1133 315.9804 9.890665 326.1145 5.514759 -10.13416      11.32421 
1 1 1 5   11 14 o 89.76840 15.43207 733.6845       228.0372 0.000000       0.000000 733.6845       228.0372 ?        ?        89.76840 15.43207 0.000000       15.43207 
1 1 1 5   11 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   11 16 o 51.60515 4.539298 229.9974       39.59522 239.2034       87.80454 227.6474       44.36188 51.54522 10.33508 51.25664 5.137403 0.2885818      11.54152 
1 1 1 5   11 17 o 93.83344 4.393755 754.6947       70.40369 621.0383       135.6393 803.9824       82.36822 83.98701 9.631516 96.66563 5.006993 -12.67863      10.85523 
1 1 1 5   11 18 o 57.14125 5.554715 283.4643       53.51672 342.9463       111.0367 265.4656       61.07919 61.63999 10.94991 55.08304 6.626369 6.556950       12.79880 
1 1 1 5   11 19 o 144.7463 4.298048 1799.012       106.2382 2022.754       198.3519 1709.006       125.8048 152.5703 7.613153 140.8891 5.228988 11.68114       9.235931 
1 1 1 5   11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   11 21 f 64.65376 5.399941 363.7686       59.07330 406.2635       113.2214 347.8735       69.24560 66.83223 10.24757 62.93805 6.538255 3.894176       12.15572 
1 1 1 5   11 22 o 60.87858 5.630764 324.1007       57.87438 289.9110       109.4728 337.3629       68.18128 55.40142 11.92446 61.86880 6.553203 -6.467381      13.60651 
1 1 1 5   11 23 o 91.23428 4.775273 722.1185       74.13883 724.8342       130.1782 720.8148       90.19554 89.85231 8.588749 90.79523 5.848394 -0.9429169     10.39088 
1 1 1 5   11 24 o 44.18527 7.801331 178.4197       56.71154 29.65332       123.1691 218.4436       63.88646 31.09219 13.23367 48.95661 7.911632 -17.86442      15.41830 
1 1 1 5   11 25 o 34.68037 9.760553 114.1334       60.24615 85.85750       121.6801 123.3161       69.34209 34.50423 13.74573 35.91976 10.58616 -1.415524      17.34969 
1 1 1 5   11 26 o 24.66169 9.802827 36.71534       61.75854 -51.09765      98.72868 93.16502       79.15797 23.32199 10.73851 32.24302 11.45138 -8.921036      15.69872 
1 1 1 5   12 0  o 154.6978 3.291492 2045.287       86.95186 2006.112       128.4198 2078.452       118.1572 153.1196 4.911332 155.8861 4.438650 -2.766541      6.619879 
1 1 1 5   12 1  o 214.0535 3.701323 3917.032       135.2949 4069.797       196.8410 3780.238       186.2681 218.0468 5.286448 210.1564 5.190319 7.890366       7.408505 
1 1 1 5   12 2  o 423.9565 10.47907 15506.56       758.6577 15269.63       816.8060 16995.14       2047.351 420.3167 11.37995 429.6742 28.05705 -9.357513      30.27707 
1 1 1 5   12 3  o 266.5214 4.712217 6078.517       214.4665 6197.757       361.8735 6013.959       266.2672 268.5879 7.889843 264.9384 5.885330 3.649506       9.843106 
1 1 1 5   12 4  o 31.86775 5.826608 89.73619       30.53956 57.90994       46.98107 113.0253       40.18891 26.64034 8.845027 35.70470 6.840458 -9.064362      11.18152 
1 1 1 5   12 5  o 99.11200 3.662105 839.9886       61.98104 790.2794       107.0195 865.0775       76.03017 95.75188 6.585096 100.5466 4.428093 -4.794693      7.935458 
1 1 1 5   12 6  o 190.8078 3.900093 3114.162       127.0788 3203.942       215.7074 3066.440       157.2677 193.2264 6.537274 189.2460 4.866434 3.980423       8.149733 
1 1 1 5   12 7  f 167.9601 3.905293 2413.279       112.0113 2385.641       193.5499 2427.197       137.3485 166.6752 6.800174 168.3647 4.777175 -1.689468      8.310461 
1 1 1 5   12 8  o 62.89811 4.457487 340.3832       47.56720 387.8352       84.43010 318.3177       57.57416 66.72567 7.542130 60.67277 5.620734 6.052902       9.406188 
1 1 1 5   12 9  o 87.86065 3.683717 660.3931       55.26913 772.6172       107.0695 619.6273       64.53139 94.59410 6.671015 84.95080 4.464028 9.643303       8.026830 
1 1 1 5   12 10 o 110.0180 4.038438 1036.047       75.87154 871.7367       140.8456 1103.219       90.05454 100.1831 8.307746 113.4828 4.647011 -13.29969      9.519105 
1 1 1 5   12 11 o 263.0135 4.381147 5924.816       196.7740 6207.010       395.2329 5831.815       226.8936 268.0096 8.635766 260.7989 5.094652 7.210693       10.02656 
1 1 1 5   12 12 o 80.15282 12.35981 574.8138       163.7346 522.6350       390.0625 585.9743       180.3974 75.26373 25.49031 80.57992 13.59369 -5.316185      28.88848 
1 1 1 5   12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   12 14 o 33.15541 6.101826 97.43153       33.27446 20.43304       79.57116 113.7496       36.63105 26.50095 10.90940 35.87344 6.204144 -9.372490      12.55015 
1 1 1 5   12 15 o 109.7341 3.607674 1030.738       67.60376 1357.976       143.4051 937.2349       76.65609 125.3904 6.721758 104.5839 4.292198 20.80643       7.975275 
1 1 1 5   12 16 o 58.13756 5.014535 292.2898       49.29692 229.1836       131.6784 302.5762       53.16304 50.07438 14.53989 59.11210 5.323732 -9.037724      15.48388 
1 1 1 5   12 17 o 48.30755 5.646116 203.5828       45.69778 275.1781       127.4831 193.0267       48.95084 54.41300 13.72219 46.90323 6.268442 7.509769       15.08615 
1 1 1 5   12 18 o 20.58587 7.659254 28.55220       35.98731 200.3254       118.9675 11.25107       37.75618 46.55120 13.90206 18.47852 7.550027 28.07269       15.81993 
1 1 1 5   12 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   12 20 f 143.9845 4.090946 1783.213       100.5869 1674.377       179.7901 1832.800       121.3569 138.0638 7.655763 145.7479 4.875964 -7.684082      9.076659 
1 1 1 5   12 21 o 37.40247 7.296940 126.6379       44.93266 219.4822       98.66263 102.3425       50.47035 48.03963 12.04821 33.36236 8.750427 14.67727       14.89058 
1 1 1 5   12 22 o 78.59199 4.758016 536.4042       63.55572 561.5652       120.8874 526.7930       74.71487 78.69414 9.167564 77.60700 5.677127 1.087135       10.78304 
1 1 1 5   12 23 o 79.74011 4.866278 554.1545       65.94654 621.5851       122.0350 526.3412       78.37582 82.66148 8.779684 77.30484 5.983695 5.356636       10.62485 
1 1 1 5   12 24 o 34.37877 9.475110 111.9460       57.41262 287.4640       102.1559 30.91306       69.41180 54.40315 11.36263 25.15446 10.25267 29.24869       15.30447 
1 1 1 5   12 25 o 70.80033 5.859341 444.4370       70.20455 318.7522       119.5043 510.6709       86.75262 56.11255 12.76000 75.45251 6.806244 -19.33996      14.46176 
1 1 1 5   13 0  o 165.4745 6.023166 2347.985       170.1994 2299.298       184.4680 2626.679       441.3448 163.6798 6.599697 172.4634 15.13893 -8.783676      16.51494 
1 1 1 5   13 1  o 151.7581 3.891898 1970.000       100.8592 2013.081       193.2387 1953.870       118.2430 153.0459 7.393850 151.0825 4.583103 1.963425       8.699072 
1 1 1 5   13 2  o 117.9239 3.633716 1189.271       73.17362 1074.582       108.0605 1286.396       99.44216 111.8205 5.677681 122.5741 4.750836 -10.75357      7.403142 
1 1 1 5   13 3  o 254.4813 3.931425 5540.263       170.8471 5444.753       244.5683 5631.293       238.7649 252.0109 5.683015 256.3326 5.454623 -4.321640      7.877155 
1 1 1 5   13 4  o 279.3877 4.948723 6686.376       236.1034 6499.273       397.4862 6788.380       293.4890 274.5950 8.476714 281.2726 6.110297 -6.677673      10.44942 
1 1 1 5   13 5  o 115.6350 3.877624 1144.090       76.56973 1099.995       133.5466 1165.685       93.45673 112.9126 6.960019 116.6647 4.691041 -3.752060      8.393314 
1 1 1 5   13 6  o 125.6765 4.139762 1351.936       88.84466 1339.031       156.3201 1358.094       107.9802 124.5261 7.384055 125.8888 5.022906 -1.362762      8.930502 
1 1 1 5   13 7  o 101.9043 3.672254 888.4836       63.90390 889.9117       113.3659 887.8184       77.36713 101.5489 6.572646 101.8173 4.449724 -0.2683487     7.937236 
1 1 1 5   13 8  o 214.2121 4.444099 3930.242       162.5660 4254.360       286.0077 3775.551       197.5876 222.2195 7.536915 209.7771 5.515686 12.44234       9.339586 
1 1 1 5   13 9  o 162.6351 3.835368 2263.933       106.5181 2349.775       187.1542 2222.804       129.5468 165.2885 6.630633 161.0510 4.710437 4.237488       8.133481 
1 1 1 5   13 10 o 149.0610 11.01964 1947.024       278.5122 2082.178       569.0869 1904.457       319.3734 148.0607 23.27608 146.7345 12.87588 1.326233       26.60008 
1 1 1 5   13 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   13 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   13 13 o 145.6318 3.440542 1815.012       85.56282 2048.311       183.1728 1749.900       96.76903 154.1644 6.957846 142.9422 3.964370 11.22227       8.007986 
1 1 1 5   13 14 o 107.8984 3.547717 996.6259       65.36813 899.2820       141.8236 1022.884       73.65871 101.5941 8.245969 109.2768 3.947246 -7.682701      9.142032 
1 1 1 5   13 15 o 39.25498 5.815519 135.4568       37.80454 145.4630       103.6663 133.9219       40.60051 40.77463 13.11399 38.93029 6.324247 1.844345       14.55929 
1 1 1 5   13 16 o 27.76212 7.401397 69.20259       35.72886 70.00191       100.0462 69.08575       38.25126 32.99850 12.65973 27.79718 7.761223 5.201324       14.84942 
1 1 1 5   13 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   13 18 o 15.33856 7.579709 -158.8846      72.62817 -185.2081      91.37221 -113.7149      119.6920 17.57153 8.648312 24.13877 11.34892 -6.567236      14.26854 
1 1 1 5   13 19 o 106.4637 6.017261 987.1451       108.9482 1086.812       146.4742 863.7208       162.9994 111.0117 7.775725 97.93564 9.881466 13.07609       12.57399 
1 1 1 5   13 20 o 87.24699 6.592625 668.5798       97.49745 641.4872       128.8472 704.8737       149.1303 84.41003 9.081698 88.00089 10.10720 -3.590858      13.58797 
1 1 1 5   13 21 o 103.9031 6.045786 945.8499       106.8075 800.1049       142.3425 1133.643       161.5763 94.09911 8.966701 112.4456 8.476933 -18.34652      12.33937 
1 1 1 5   13 22 o 58.14025 8.981343 311.7551       86.29676 342.2953       111.9048 266.9450       135.5506 59.72816 11.38720 51.00599 14.73535 8.722168       18.62253 
1 1 1 5   13 23 o 92.54613 6.507490 760.5869       102.1885 675.5142       135.4663 872.9160       155.6620 85.40215 9.447033 97.13427 9.506289 -11.73212      13.40209 
1 1 1 5   13 24 o 22.70918 10.04910 -10.25918      76.96861 3.259001       97.13357 -33.07016      126.1776 26.18346 11.44737 27.37799 12.42781 -1.194527      16.89653 
1 1 1 5   14 0  o 78.38450 4.794699 528.3467       63.87049 632.8506       125.1477 491.5398       74.27144 85.18195 8.726647 75.46523 5.807938 9.716728       10.48268 
1 1 1 5   14 1  f 17.62858 7.398474 3.813406       37.61800 12.74496       55.36876 -3.843971      51.26741 22.05406 9.092062 19.66935 8.458787 2.384716       12.41840 
1 1 1 5   14 2  o 53.73565 4.764459 249.3264       43.26640 230.5465       66.19624 263.3329       57.16767 51.15237 7.827147 55.03290 6.190578 -3.880527      9.979353 
1 1 1 5   14 3  o 159.2749 3.396473 2169.972       92.37987 2189.882       139.5730 2154.450       123.2365 159.8205 5.114075 158.5900 4.550526 1.230484       6.845513 
1 1 1 5   14 4  o 123.0872 3.679455 1296.396       77.33894 1343.940       129.3388 1269.936       96.48931 125.0930 6.054715 121.7467 4.641089 3.346298       7.628845 
1 1 1 5   14 5  o 104.5038 3.746584 934.6387       66.86050 918.7428       118.2157 942.1151       81.07318 103.1277 6.749951 104.8651 4.527354 -1.737320      8.127655 
1 1 1 5   14 6  o 192.8454 4.131191 3184.581       136.0462 3134.612       236.7432 3209.219       166.2356 190.7476 7.268027 193.4542 5.032037 -2.706680      8.840001 
1 1 1 5   14 7  o 81.20377 14.77308 600.6960       197.3096 617.0863       323.3325 590.9708       249.0595 80.18948 22.62686 79.32573 18.69252 0.8637466      29.34937 
1 1 1 5   14 8  f 55.13264 24.67860 -100.1539      478.0284 0.000000       0.000000 -100.1539      478.0284 ?        ?        55.13264 24.67860 0.000000       24.67860 
1 1 1 5   14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   14 10 o 69.95158 4.525240 421.1207       53.76605 442.2979       110.1588 414.4983       61.60179 70.82085 9.336279 69.30272 5.244066 1.518127       10.70824 
1 1 1 5   14 11 o 93.98096 3.953851 756.4682       63.45445 897.4523       117.9519 699.0479       75.27534 101.8331 6.822327 90.13681 4.908948 11.69630       8.404875 
1 1 1 5   14 12 o 96.44339 4.023417 796.8720       66.26276 785.1852       122.7503 801.6780       78.71722 95.02292 7.629031 96.66764 4.768554 -1.644722      8.996734 
1 1 1 5   14 13 o 50.79891 5.548866 224.5540       47.35208 367.8038       107.7696 190.2822       52.71299 64.10339 10.18565 46.46418 6.848911 17.63922       12.27417 
1 1 1 5   14 14 o 74.29472 4.078299 474.9317       51.54354 685.9534       119.2851 426.4855       57.15478 88.49187 7.979540 70.28529 4.790527 18.20658       9.307105 
1 1 1 5   14 15 o 86.76456 4.515268 648.9415       66.66917 787.6985       128.8356 598.1966       77.91200 94.69497 8.043340 83.09483 5.522145 11.60014       9.756505 
1 1 1 5   14 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   14 17 o 197.6904 5.674086 3384.036       191.5506 3182.982       265.8876 3600.977       276.1931 190.3028 8.181841 202.5503 7.985055 -12.24750      11.43257 
1 1 1 5   14 18 o 89.21302 6.470968 697.2526       97.91193 731.9988       130.3516 652.2678       148.3186 90.59442 8.526137 84.55663 10.49763 6.037788       13.52388 
1 1 1 5   14 19 o 56.24546 9.080022 288.8459       84.24145 381.2902       109.9992 157.7216       131.0060 64.21542 10.38565 41.76519 14.74266 22.45023       18.03352 
1 1 1 5   14 20 o 40.17146 11.17356 154.1922       79.43931 162.6410       102.3781 141.4085       125.9330 41.14462 13.01120 39.73324 14.40347 1.411373       19.41009 
1 1 1 5   14 21 o 35.73985 11.50301 120.4728       79.75005 78.86555       102.6276 183.8963       126.7082 32.70462 12.74648 43.06373 14.52843 -10.35911      19.32739 
1 1 1 5   14 22 o 52.95054 10.72867 270.2648       93.68678 309.6549       129.9854 227.6813       135.1518 54.86285 13.86749 46.73365 14.96766 8.129200       20.40437 
1 1 1 5   14 23 f 105.8783 6.543682 1000.769       117.7326 788.9435       163.6849 1227.816       169.4637 90.66025 10.78437 115.4805 8.656398 -24.82030      13.82881 
1 1 1 5   15 0  o 115.9278 5.625951 1153.910       111.3744 1156.933       178.3673 1151.979       142.5873 115.2096 9.141267 115.3933 7.273208 -0.1837311     11.68171 
1 1 1 5   15 1  o 85.95612 3.986648 632.6358       58.51761 686.9551       92.84293 596.8344       75.37404 89.19181 6.132949 83.22803 5.331379 5.963776       8.126295 
1 1 1 5   15 2  o 20.28895 8.305164 12.56626       45.79297 -7.722986      59.39205 42.31031       71.91103 20.84757 9.034584 27.51162 10.68445 -6.664047      13.99218 
1 1 1 5   15 3  o 128.4498 10.52499 1446.145       228.8373 1342.444       294.7082 1603.611       363.1577 122.3669 14.37751 133.0074 16.33201 -10.64052      21.75885 
1 1 1 5   15 4  o 150.6087 19.51223 2098.614       490.0370 2534.254       626.9633 1414.631       785.5987 163.3052 23.12892 113.6964 36.05185 49.60880       42.83320 
1 1 1 5   15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   15 7  o 96.91140 4.100554 804.4616       67.86086 815.0291       128.3622 800.3624       79.94641 96.83436 7.829564 96.48024 4.868131 0.3541183      9.219586 
1 1 1 5   15 8  o 78.10091 4.172809 524.1027       55.45129 532.1543       103.2585 520.8397       65.73383 78.08886 7.849781 77.75375 4.976804 0.3351059      9.294496 
1 1 1 5   15 9  o 104.1504 3.930921 929.1248       69.91290 1068.897       127.5681 869.1218       83.58290 111.1679 6.751841 100.6466 4.863135 10.52126       8.320904 
1 1 1 5   15 10 o 169.1582 4.097564 2452.467       118.3643 2813.178       214.1156 2293.725       142.0411 180.5335 6.945262 163.4244 5.089735 17.10910       8.610579 
1 1 1 5   15 11 o 139.4736 4.335534 1668.911       103.2611 1693.532       169.1718 1654.291       130.3637 139.7624 7.111679 138.6589 5.505632 1.103500       8.993774 
1 1 1 5   15 12 o 78.09000 5.426941 527.6745       71.91946 594.9037       138.1512 502.6814       84.23360 81.67715 10.12178 75.97543 6.556702 5.701714       12.05988 
1 1 1 5   15 13 o 148.7099 3.597655 1896.656       91.36111 2087.369       186.9313 1836.805       104.7205 155.0267 7.061117 146.2280 4.193715 8.798706       8.212589 
1 1 1 5   15 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   15 15 o 122.3132 3.998220 1286.173       83.51070 1320.529       152.9265 1271.574       99.68684 122.7460 7.329271 121.4322 4.807311 1.313858       8.765184 
1 1 1 5   15 16 o 191.8059 5.607931 3189.851       183.6820 2885.175       254.9356 3518.761       264.8808 180.8131 8.256551 200.0665 7.753079 -19.25337      11.32611 
1 1 1 5   15 17 o 80.91413 7.337617 579.8546       100.2841 574.0112       140.7964 585.8715       142.8726 78.94982 10.72058 79.74876 10.76635 -0.7989349     15.19359 
1 1 1 5   15 18 o 125.4686 5.710155 1371.756       122.3446 1423.910       165.9418 1309.645       181.0921 126.5777 7.713904 120.6283 8.853039 5.949356       11.74226 
1 1 1 5   15 19 o 83.11568 6.762966 613.2982       95.15675 485.3118       125.5884 785.8130       145.8078 71.93886 10.53536 92.62083 9.346532 -20.68197      14.08373 
1 1 1 5   15 20 o 73.19156 7.490857 483.0269       92.30634 525.4123       121.2926 424.6976       142.2886 75.08945 9.684918 65.10839 13.24841 9.981056       16.41091 
1 1 1 5   15 21 o 30.58896 11.32542 77.73474       78.49356 58.49403       100.4302 107.9378       125.8285 30.55775 12.37787 36.13060 14.10498 -5.572844      18.76599 
1 1 1 5   15 22 o 45.49770 11.87312 209.7207       93.22642 229.9286       128.8906 187.5496       135.0061 46.22482 14.59706 42.31597 14.96292 3.908844       20.90366 
1 1 1 5   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   16 1  o 106.4299 5.152559 972.1234       93.64584 929.8763       125.4854 1025.224       140.6844 103.6111 7.135774 108.7106 7.626584 -5.099571      10.44433 
1 1 1 5   16 2  o 156.2010 5.964710 2097.781       159.1018 2340.472       286.0352 1989.054       191.4520 163.5695 10.29285 151.8192 7.384670 11.75027       12.66792 
1 1 1 5   16 3  o 48.75694 7.360902 209.6225       59.37872 286.0360       104.5668 173.2554       72.13779 56.22329 11.28346 43.77905 9.883410 12.44424       14.99994 
1 1 1 5   16 4  o 112.2898 4.190698 1080.482       80.35792 1144.895       144.4796 1051.631       96.69373 114.9213 7.401503 110.6830 5.115823 4.238365       8.997438 
1 1 1 5   16 5  o 47.44484 6.702601 197.7228       52.79225 210.9821       98.63580 192.3996       62.49747 48.06639 12.04196 46.49061 8.170376 1.575779       14.55211 
1 1 1 5   16 6  o 129.5406 4.191691 1438.274       92.72507 1570.904       163.4635 1375.349       112.5928 134.7143 7.131063 126.5439 5.210357 8.170425       8.831754 
1 1 1 5   16 7  o 172.2967 4.134319 2544.937       121.6418 2759.286       217.1561 2446.925       146.8420 178.7017 7.116091 168.7703 5.095097 9.931412       8.752072 
1 1 1 5   16 8  o 71.15948 4.707955 436.7034       56.88609 498.9738       112.6221 415.3745       65.91230 75.17339 8.949051 69.24261 5.622876 5.930779       10.56893 
1 1 1 5   16 9  o 89.13713 4.179878 681.8522       63.62447 496.5784       113.1513 767.5162       76.93996 74.87749 9.031590 94.37728 4.789701 -19.49979      10.22305 
1 1 1 5   16 10 o 88.27731 5.029161 673.0673       75.49966 749.6525       143.1614 643.5606       88.86151 91.98925 9.238365 86.08519 6.084001 5.904060       11.06176 
1 1 1 5   16 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   16 13 o 105.6419 3.790660 958.9999       68.38377 1312.799       143.8809 855.7585       77.72346 122.5194 6.905108 99.65036 4.567424 22.86902       8.279003 
1 1 1 5   16 14 o 95.63705 3.726368 786.3822       60.85745 988.7768       134.4241 734.2046       68.25270 105.8966 7.481644 92.29815 4.330369 13.59844       8.644484 
1 1 1 5   16 15 o 79.80252 6.841267 561.6169       92.32850 447.7134       121.9630 714.5167       141.3067 69.63841 10.58964 88.87485 9.455930 -19.23643      14.19701 
1 1 1 5   16 16 o 42.28969 10.87542 169.8406       78.98046 -34.99497      101.7392 480.5043       125.2942 25.04941 11.28477 71.99901 10.49961 -46.94960      15.41389 
1 1 1 5   16 17 o 88.23756 6.518476 688.3795       97.52503 643.8617       129.0999 747.5513       148.8391 83.94823 9.153977 90.07748 9.835935 -6.129242      13.43655 
1 1 1 5   16 18 o 135.4510 5.878058 1610.697       135.9621 1501.169       191.3173 1722.456       193.2563 128.3743 8.779885 138.0578 8.234779 -9.683517      12.03736 
1 1 1 5   16 19 o 33.67096 11.49093 104.7562       79.27326 116.6393       101.4972 86.16806       126.9423 35.79426 12.93763 34.67850 13.96190 1.115757       19.03463 
1 1 1 5   16 20 o 28.15139 11.10705 54.65355       78.74062 39.42079       100.2676 79.16226       127.1837 28.91224 12.10325 33.84999 13.84683 -4.937742      18.39085 
1 1 1 5   16 21 o 30.51004 11.63736 76.47591       84.23494 124.8074       110.7474 10.13670       129.7488 36.28313 13.44878 29.58852 13.07259 6.694613       18.75533 
1 1 1 5   17 0  o 136.9264 3.978946 1606.850       93.03732 1514.132       144.2904 1672.829       121.7196 132.5290 6.375649 139.5402 5.108099 -7.011139      8.169552 
1 1 1 5   17 1  o 29.15919 9.334407 72.68076       52.56879 105.2881       105.5736 61.93077       60.61800 36.85379 13.21026 28.35709 10.02638 8.496700       16.58431 
1 1 1 5   17 2  o 73.96945 6.064366 474.5604       75.92834 554.0237       112.4104 407.8865       102.9677 79.42714 8.415938 67.84285 9.118706 11.58429       12.40882 
1 1 1 5   17 3  o 157.1533 4.214191 2118.539       113.0940 2151.237       199.8149 2103.126       137.1819 157.5950 7.424781 156.4048 5.136234 1.190170       9.028193 
1 1 1 5   17 4  o 143.3720 7.282624 1785.288       177.7156 0.000000       0.000000 1785.288       177.7156 ?        ?        143.3720 7.282624 0.000000       7.282624 
1 1 1 5   17 5  o 68.81234 5.329439 410.1030       62.13686 475.2436       127.6461 389.8732       71.13396 72.71875 10.59018 66.89281 6.301506 5.825935       12.32318 
1 1 1 5   17 6  o 82.12368 4.680659 581.7774       65.36948 513.4130       135.8286 602.3846       74.57370 75.43706 10.85672 83.46041 5.259328 -8.023354      12.06354 
1 1 1 5   17 7  o 22.41232 8.456928 32.70277       44.18330 4.743822       92.03023 41.07734       50.36763 26.70513 11.40453 24.38185 9.063285 2.323282       14.56730 
1 1 1 5   17 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   17 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   17 10 o 49.15290 8.014050 217.0862       64.94901 -137.7793      208.1574 255.3606       68.36191 32.88101 15.29667 53.48967 7.706565 -20.60866      17.12832 
1 1 1 5   17 11 o 58.64305 6.070955 301.8904       59.91560 219.3919       124.7449 326.6292       68.31090 47.80288 14.22649 60.85266 6.683771 -13.04979      15.71833 
1 1 1 5   17 12 o 111.7028 4.270849 1075.667       81.46667 1033.158       145.3899 1095.122       98.35790 107.9484 7.942869 112.4729 5.121054 -4.524506      9.450627 
1 1 1 5   17 13 o 94.08701 4.495675 764.6738       72.23148 710.6319       146.1077 782.1541       83.09627 88.33134 9.854218 94.85279 5.149440 -6.521454      11.11856 
1 1 1 5   17 14 o 48.46518 4.770658 205.3600       38.97121 334.2552       102.8136 183.7335       42.11387 59.80478 10.44754 45.63198 5.516473 14.17280       11.81450 
1 1 1 5   17 15 o 55.84612 9.068127 288.0958       83.51293 211.4510       108.4674 399.6756       130.8732 46.15504 13.13407 64.11450 12.40190 -17.95946      18.06408 
1 1 1 5   17 16 f 65.31674 8.033067 388.3032       87.71145 408.6504       114.6607 359.6007       136.1828 65.61562 10.59396 59.54619 13.68024 6.069424       17.30263 
1 1 1 5   17 17 o 58.18903 9.609613 318.8012       92.15464 402.4026       112.6043 149.2430       160.3642 64.96073 10.50979 40.69593 15.91339 24.26480       19.07070 
1 1 1 5   17 18 f 37.44568 11.83807 138.0550       84.75362 113.2654       112.1696 171.0377       129.3848 35.67423 13.47147 41.15168 14.63771 -5.477448      19.89329 
1 1 1 5   17 19 o 77.06667 8.327773 549.8264       107.8542 551.9525       156.4073 547.8988       148.9255 73.47266 12.93867 73.82272 12.24240 -0.3500671     17.81252 
1 1 1 5   18 0  f 131.2995 3.914722 1480.178       87.77397 1380.375       133.7975 1555.581       116.2966 126.2670 6.205205 134.3503 5.069049 -8.083260      8.012480 
1 1 1 5   18 1  o 163.2204 3.837155 2287.136       106.9512 2366.777       163.0979 2227.054       141.6611 165.4700 5.772013 160.7084 5.161904 4.761536       7.743474 
1 1 1 5   18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   18 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   18 6  o 54.60646 11.71226 279.0827       105.9413 0.000000       0.000000 279.0827       105.9413 ?        ?        54.60646 11.71226 0.000000       11.71226 
1 1 1 5   18 7  o 124.4229 4.499166 1334.543       95.59480 1099.130       170.7798 1441.961       115.3609 110.9716 9.091837 129.1168 5.232078 -18.14514      10.48981 
1 1 1 5   18 8  o 81.58011 5.539740 579.6753       76.71747 782.5306       178.7236 533.8550       84.94106 92.03593 11.63130 78.00427 6.434137 14.03166       13.29230 
1 1 1 5   18 9  o 29.28653 9.750196 74.17303       57.07463 -23.56395      161.6373 88.09486       61.00426 32.48053 14.45813 31.42465 10.05504 1.055880       17.61083 
1 1 1 5   18 10 o 80.59724 5.383994 566.3851       73.67507 746.0529       189.3707 534.3398       79.97591 88.63366 12.88924 78.06191 6.046717 10.57175       14.23711 
1 1 1 5   18 11 o 71.54328 5.644328 448.4060       68.39766 529.0084       187.7028 436.0647       73.44754 72.31149 15.65442 70.37183 6.174304 1.939659       16.82804 
1 1 1 5   18 12 o 90.79233 4.806074 717.1695       74.24931 953.0427       197.2140 678.2137       80.14646 100.4275 11.72006 88.08790 5.353405 12.33958       12.88483 
1 1 1 5   18 13 o 13.82726 6.281694 -17.73506      32.31892 -47.36402      100.9474 -14.35126      34.11455 24.02500 10.98666 14.60182 6.560376 9.423174       12.79630 
1 1 1 5   18 14 o 21.46686 7.550526 37.29876       34.33391 64.75821       129.8706 35.23536       35.60052 33.49667 13.87708 21.27403 7.666359 12.22264       15.85390 
1 1 1 5   18 15 o 28.44850 11.65622 43.71255       90.30878 14.92948       113.6270 93.07623       148.8048 28.77396 12.48300 36.38750 14.94190 -7.613546      19.47012 
1 1 1 5   18 16 o 57.59883 9.806314 316.3741       92.99821 214.9823       127.6648 431.0075       135.7455 45.04571 14.55983 65.37742 12.61598 -20.33171      19.26529 
1 1 1 5   18 17 o 77.89343 8.330015 562.0423       109.0845 686.5479       161.4226 457.3975       147.9888 83.23831 11.67769 66.14509 13.55721 17.09322       17.89319 
1 1 1 5   19 0  o 32.84962 8.725310 99.00042       49.77268 19.96336       87.82272 136.3989       60.41133 27.03018 11.32225 38.41388 9.307216 -11.38370      14.65666 
1 1 1 5   19 1  o 128.0559 3.914697 1411.034       85.60512 1313.850       136.8367 1473.528       109.7300 122.5506 6.562428 130.5687 4.921349 -8.018173      8.202751 
1 1 1 5   19 2  o 26.70848 8.934304 60.57079       47.91287 -28.93226      92.13385 93.74809       56.09457 24.24313 10.84430 32.09204 9.537493 -7.848909      14.44170 
1 1 1 5   19 3  o 124.1765 4.179977 1328.906       88.63706 1203.984       156.2533 1388.178       107.6300 116.5772 7.895540 126.6711 4.975695 -10.09389      9.332582 
1 1 1 5   19 4  o 72.54736 5.264343 458.5321       64.77398 424.8587       125.2120 470.8365       75.68864 67.49734 11.25987 73.27124 6.104720 -5.773903      12.80829 
1 1 1 5   19 5  o 97.15592 6.108108 826.2989       100.8235 735.2174       129.5658 966.1188       160.5313 90.59275 8.473622 103.5442 9.173852 -12.95148      12.48847 
1 1 1 5   19 6  o 66.72675 6.096138 391.6222       68.69625 205.8397       123.6244 474.6168       82.62790 45.95640 14.26248 73.30650 6.673666 -27.35009      15.74662 
1 1 1 5   19 7  o 40.31434 9.296934 151.6224       62.69575 48.44476       114.3274 195.9951       74.97482 31.74641 13.07365 45.74416 9.886337 -13.99775      16.39085 
1 1 1 5   19 8  o 30.38522 11.13071 73.90222       75.48938 0.000000       0.000000 73.90222       75.48938 ?        ?        30.38522 11.13071 0.000000       11.13071 
1 1 1 5   19 9  o 92.38334 4.551267 739.8427       71.80057 693.7948       128.6187 760.6894       86.54039 87.35622 8.739256 93.22018 5.460168 -5.863968      10.30476 
1 1 1 5   19 10 o 32.90464 8.299429 101.1619       46.62861 114.3805       96.73102 97.16051       53.22007 35.59718 12.65710 32.19378 9.213476 3.403400       15.65536 
1 1 1 5   19 11 o 55.78531 5.633510 275.4998       52.93100 222.2294       106.3265 293.0508       61.03084 46.90913 12.88036 57.28614 6.345333 -10.37701      14.35851 
1 1 1 5   19 12 o 36.28302 7.810501 122.6357       46.96077 13.09569       118.5353 143.0294       51.14578 29.13899 12.69511 39.21479 7.910522 -10.07580      14.95802 
1 1 1 5   19 13 o 50.97833 6.314367 233.4210       53.79274 344.1843       124.9636 208.2280       59.59713 58.16752 12.91695 47.59615 7.587241 10.57137       14.98045 
1 1 1 5   19 14 o 93.35209 4.291039 758.4484       68.40509 909.2321       130.6237 701.4720       80.29569 99.87753 7.718554 89.19438 5.295461 10.68315       9.360448 
1 1 1 5   19 15 o 24.25247 10.64630 0.5685664      84.77305 -74.99033      116.2324 86.43891       123.9099 24.08528 11.27879 33.70717 13.71403 -9.621887      17.75629 
1 1 1 5   20 0  o 51.14570 6.256684 232.3403       53.50618 267.5891       92.66758 214.7114       65.53419 53.24821 10.56404 48.47889 8.209126 4.769325       13.37866 
1 1 1 5   20 1  o 63.90844 5.332664 357.8306       57.66597 305.8484       103.0080 381.5579       69.59327 56.76008 11.02474 65.69218 6.280237 -8.932095      12.68804 
1 1 1 5   20 2  o 35.33266 8.364499 115.9929       49.68604 195.4310       88.45955 79.38076       60.05414 44.97077 11.47978 29.95677 10.00253 15.01401       15.22616 
1 1 1 5   20 3  o 25.02877 8.880156 50.71925       47.58983 20.90989       88.09033 63.00507       56.55279 26.73913 11.27697 27.49998 9.688531 -0.7608471     14.86734 
1 1 1 5   20 4  o 106.9851 4.407991 991.6978       80.53153 842.0952       123.9617 1100.942       105.9298 96.98156 7.544455 112.2584 5.525827 -15.27689      9.351662 
1 1 1 5   20 5  o 59.87022 6.451757 319.4122       64.91961 219.1367       120.9250 360.0160       76.94884 46.45189 14.04854 63.26640 7.253457 -16.81451      15.81057 
1 1 1 5   20 6  o 154.2243 5.430856 2081.116       143.0286 1976.885       197.8046 2195.326       207.0586 148.2076 7.843546 156.4533 7.750086 -8.245697      11.02656 
1 1 1 5   20 7  o 54.65831 6.835172 269.0976       62.40322 167.1236       122.0308 305.2066       72.61600 41.08682 14.24688 57.95884 7.513686 -16.87202      16.10680 
1 1 1 5   20 8  o 120.2961 4.329137 1256.828       88.93137 1221.118       156.0101 1274.017       108.2391 116.0753 7.917923 120.6348 5.254235 -4.559547      9.502657 
1 1 1 5   20 9  o 23.46536 8.836782 40.33117       48.18709 36.10065       94.04295 41.83733       56.11304 28.15048 11.74753 24.56223 9.466269 3.588251       15.08690 
1 1 1 5   20 10 o 37.56090 9.149366 135.1436       58.14239 283.3271       100.6554 60.94091       71.22736 53.50897 11.36644 28.10732 10.70588 25.40165       15.61447 
1 1 1 5   20 11 o 43.73748 8.716249 181.4900       62.81525 0.000000       0.000000 181.4900       62.81525 ?        ?        43.73748 8.716249 0.000000       8.716249 
1 1 1 5   20 12 o 23.74278 8.766207 44.67889       46.96223 -152.3134      98.16042 103.1521       53.47985 18.96861 9.257870 32.68207 9.195416 -13.71346      13.04852 
1 1 1 5   21 0  o 48.71570 7.156821 216.1515       57.76273 178.7399       98.32011 235.8702       71.38017 42.06694 12.65533 50.26505 8.626571 -8.198101      15.31584 
1 1 1 5   21 1  o 73.06529 5.348893 470.4630       66.27474 570.7268       110.3302 413.8602       82.89745 78.86146 8.318204 67.60376 7.296404 11.25770       11.06481 
1 1 1 5   21 2  o 59.38136 6.208271 315.1385       62.02316 346.3846       98.09273 294.3257       80.05768 60.38414 9.852706 56.24590 8.609025 4.138237       13.08400 
1 1 1 5   21 3  o 40.52435 9.022540 156.2539       60.83325 29.80768       94.55243 245.5638       79.46387 27.69105 11.68112 50.81726 9.506534 -23.12621      15.06063 
1 1 1 5   21 4  o 30.09294 9.604981 84.37031       55.69188 102.2004       82.73550 69.59789       75.30786 33.30195 11.72014 29.36915 11.04965 3.932800       16.10765 
1 1 1 5   21 5  o 109.4179 4.661234 1044.615       87.09463 1074.018       157.0668 1031.560       104.6585 107.9454 8.591885 108.0300 5.693305 -0.8458710E-01 10.30700 
1 1 1 5   21 6  o 111.6438 4.479186 1086.757       85.39562 916.2940       146.1947 1175.042       105.2104 99.41323 8.699198 115.5931 5.329969 -16.17985      10.20219 
1 1 1 5   21 7  o 51.18851 10.31472 256.3016       87.04810 380.3094       122.7260 130.7518       123.4867 61.24666 12.16307 37.12455 14.10693 24.12210       18.62648 
1 1 1 5   21 8  f 71.19125 5.572658 450.6952       67.20645 375.5803       115.4992 489.1468       82.63669 61.21004 11.47130 73.57705 6.648846 -12.36701      13.25888 
1 1 1 5   21 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   22 0  o 45.91220 7.531369 196.1339       56.99980 212.1694       102.5603 188.9672       68.56400 44.77831 12.78155 44.10250 9.391806 0.6758118      15.86109 
1 1 1 5   22 1  o 47.68406 7.574512 211.5158       59.61552 200.3423       105.6318 216.7381       72.21563 43.32911 13.13601 47.37689 9.258055 -4.047787      16.07067 
1 1 1 5   22 2  o 43.07513 8.517701 177.0120       60.43433 145.7988       97.21201 196.6745       77.15595 37.66333 12.72545 44.44624 10.35740 -6.782909      16.40771 
1 1 1 5   22 3  o 40.33187 8.910399 157.1091       59.73260 80.26842       98.94022 201.1788       74.92863 31.48916 12.44205 45.17662 9.978803 -13.68746      15.94933 
1 1 1 6   0  0  o 260.2667 7.825272 5806.700       347.0807 5806.700       347.0807 5806.700       347.0807 260.2667 7.825272 260.2667 7.825272 0.000000       0.000000 
1 1 1 6   0  1  o 24.95675 10.45851 75.16685       44.73491 75.16685       44.73491 75.16685       44.73491 24.95675 10.45851 24.95675 10.45851 0.000000       0.000000 
1 1 1 6   0  2  o 27.73072 5.925148 74.01038       24.64836 74.01038       24.64836 74.01038       24.64836 27.73072 5.925148 27.73072 5.925148 0.000000       0.000000 
1 1 1 6   0  3  o 495.3052 9.856396 21037.53       832.9228 21037.53       832.9228 21037.53       832.9228 495.3052 9.856396 495.3052 9.856396 0.000000       0.000000 
1 1 1 6   0  4  o 250.9299 5.447660 5389.184       233.1858 5389.184       233.1858 5389.184       233.1858 250.9299 5.447660 250.9299 5.447660 0.000000       0.000000 
1 1 1 6   0  5  o 266.7702 6.037580 6092.233       274.7259 6092.233       274.7259 6092.233       274.7259 266.7702 6.037580 266.7702 6.037580 0.000000       0.000000 
1 1 1 6   0  6  o 156.1331 5.170538 2089.507       137.5157 2089.507       137.5157 2089.507       137.5157 156.1331 5.170538 156.1331 5.170538 0.000000       0.000000 
1 1 1 6   0  7  o 240.4271 5.404694 4945.475       221.6464 4945.475       221.6464 4945.475       221.6464 240.4271 5.404694 240.4271 5.404694 0.000000       0.000000 
1 1 1 6   0  8  o 103.8140 4.002586 924.5112       70.71806 924.5112       70.71806 924.5112       70.71806 103.8140 4.002586 103.8140 4.002586 0.000000       0.000000 
1 1 1 6   0  9  o 36.50142 4.774836 119.5039       28.35240 119.5039       28.35240 119.5039       28.35240 36.50142 4.774836 36.50142 4.774836 0.000000       0.000000 
1 1 1 6   0  10 o 143.9042 4.485555 1773.844       109.9854 1773.844       109.9854 1773.844       109.9854 143.9042 4.485555 143.9042 4.485555 0.000000       0.000000 
1 1 1 6   0  11 o 311.2027 6.742316 8287.069       357.9267 8287.069       357.9267 8287.069       357.9267 311.2027 6.742316 311.2027 6.742316 0.000000       0.000000 
1 1 1 6   0  12 o 133.7412 4.018348 1531.828       91.58546 1531.828       91.58546 1531.828       91.58546 133.7412 4.018348 133.7412 4.018348 0.000000       0.000000 
1 1 1 6   0  13 o 100.8057 4.192725 872.5027       71.89056 872.5027       71.89056 872.5027       71.89056 100.8057 4.192725 100.8057 4.192725 0.000000       0.000000 
1 1 1 6   0  14 o 126.3701 4.521102 1369.582       97.28100 1369.582       97.28100 1369.582       97.28100 126.3701 4.521102 126.3701 4.521102 0.000000       0.000000 
1 1 1 6   0  15 o 173.0999 4.727612 2566.274       139.5107 2566.274       139.5107 2566.274       139.5107 173.0999 4.727612 173.0999 4.727612 0.000000       0.000000 
1 1 1 6   0  16 o 40.84145 13.14491 181.4024       80.92954 181.4024       80.92954 181.4024       80.92954 40.84145 13.14491 40.84145 13.14491 0.000000       0.000000 
1 1 1 6   0  17 o 219.6617 6.511812 4140.237       243.7775 4140.237       243.7775 4140.237       243.7775 219.6617 6.511812 219.6617 6.511812 0.000000       0.000000 
1 1 1 6   0  18 o 76.05427 5.600214 502.8260       71.82631 502.8260       71.82631 502.8260       71.82631 76.05427 5.600214 76.05427 5.600214 0.000000       0.000000 
1 1 1 6   0  19 o 160.1602 4.686783 2199.209       127.9349 2199.209       127.9349 2199.209       127.9349 160.1602 4.686783 160.1602 4.686783 0.000000       0.000000 
1 1 1 6   0  20 o 118.4632 20.37856 1331.853       375.6383 1331.853       375.6383 1331.853       375.6383 118.4632 20.37856 118.4632 20.37856 0.000000       0.000000 
1 1 1 6   0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  22 o 244.4068 6.133985 5127.016       255.6462 5127.016       255.6462 5127.016       255.6462 244.4068 6.133985 244.4068 6.133985 0.000000       0.000000 
1 1 1 6   0  23 o 126.0451 6.142158 1371.587       131.4894 1371.587       131.4894 1371.587       131.4894 126.0451 6.142158 126.0451 6.142158 0.000000       0.000000 
1 1 1 6   0  24 o 78.84444 6.602485 545.0394       87.46143 545.0394       87.46143 545.0394       87.46143 78.84444 6.602485 78.84444 6.602485 0.000000       0.000000 
1 1 1 6   0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  26 o 107.0103 5.940597 994.0844       107.7921 994.0844       107.7921 994.0844       107.7921 107.0103 5.940597 107.0103 5.940597 0.000000       0.000000 
1 1 1 6   0  27 o 30.52640 13.29491 117.8036       71.88737 117.8036       71.88737 117.8036       71.88737 30.52640 13.29491 30.52640 13.29491 0.000000       0.000000 
1 1 1 6   0  28 o 10.10528 7.336899 -144.0478      70.15754 -144.0478      70.15754 -144.0478      70.15754 10.10528 7.336899 10.10528 7.336899 0.000000       0.000000 
1 1 1 6   0  29 o 100.2414 6.331988 881.1262       107.3985 881.1262       107.3985 881.1262       107.3985 100.2414 6.331988 100.2414 6.331988 0.000000       0.000000 
1 1 1 6   0  30 o 14.83996 10.06265 -33.02273      76.22849 -33.02273      76.22849 -33.02273      76.22849 14.83996 10.06265 14.83996 10.06265 0.000000       0.000000 
1 1 1 6   1  0  o 447.1973 8.478023 17128.11       647.4342 17240.69       915.5308 17015.48       915.6896 447.9806 11.96773 445.0265 12.04926 2.954163       16.98268 
1 1 1 6   1  1  o 177.2404 3.543317 2683.862       107.2444 2778.586       179.3296 2631.124       133.8089 180.2481 5.826120 175.4591 4.465883 4.789017       7.340830 
1 1 1 6   1  2  o 194.5960 3.635047 3235.685       120.7941 3151.563       170.9197 3319.629       170.7378 191.9734 5.213737 197.0338 5.074427 -5.060333      7.275497 
1 1 1 6   1  3  o 184.6962 3.492875 2914.990       110.1648 3031.442       155.9994 2799.140       155.5946 188.2789 4.851982 180.9103 5.036503 7.368607       6.993432 
1 1 1 6   1  4  o 214.0046 3.629779 3913.809       132.6494 3787.383       187.6233 4040.157       187.5659 210.4211 5.221503 217.3420 5.053687 -6.920959      7.266626 
1 1 1 6   1  5  o 162.3481 3.486505 2251.996       96.65833 2208.729       136.7902 2295.143       136.6010 160.7228 4.983973 163.8414 4.882345 -3.118607      6.976911 
1 1 1 6   1  6  o 315.1993 4.656539 8490.755       250.6400 8694.171       354.5874 8287.633       354.3297 318.8109 6.513107 311.2545 6.666379 7.556458       9.319934 
1 1 1 6   1  7  o 116.6284 2.970077 1161.731       59.15263 1097.099       83.43810 1227.038       83.87250 113.3197 4.311784 119.8462 4.098203 -6.526466      5.948677 
1 1 1 6   1  8  o 217.4087 3.604101 4037.263       133.8061 3938.646       191.5742 4131.197       186.9706 214.6931 5.225368 219.8863 4.979354 -5.193207      7.217925 
1 1 1 6   1  9  o 316.4953 5.014372 8559.002       271.0103 8455.423       379.0343 8667.339       387.6435 314.4619 7.058439 318.3734 7.130069 -3.911530      10.03292 
1 1 1 6   1  10 o 499.9323 5.828338 21362.47       497.5741 21704.70       703.7676 21020.42       703.5845 503.6635 8.182515 495.6441 8.312744 8.019409       11.66427 
1 1 1 6   1  11 o 209.9246 3.448556 3764.216       123.6240 3662.425       174.6579 3866.411       175.0040 207.0228 4.940468 212.7142 4.817808 -5.691498      6.900689 
1 1 1 6   1  12 o 66.99206 3.534353 384.4488       40.28983 408.7130       61.50495 366.2105       53.32367 68.94905 5.263484 65.28365 4.817175 3.665398       7.135086 
1 1 1 6   1  13 o 403.7287 5.792100 13940.00       399.3260 13874.90       564.9652 14004.98       564.4995 402.4510 8.220661 404.3404 8.175504 -1.889374      11.59388 
1 1 1 6   1  14 o 174.4958 3.653049 2601.936       108.8535 2645.999       155.8590 2559.976       152.0943 175.8941 5.188939 173.0135 5.147911 2.880615       7.309314 
1 1 1 6   1  15 o 447.7752 6.398445 17173.76       489.2563 17209.26       608.1369 17108.64       823.7608 447.8529 7.951774 445.6173 10.82523 2.235657       13.43192 
1 1 1 6   1  16 o 104.3211 3.883264 930.5532       69.17847 1056.044       129.6127 880.5641       81.80472 110.7511 6.887379 101.4454 4.722196 9.305710       8.350756 
1 1 1 6   1  17 o 276.9854 4.250882 6563.753       201.0656 6646.598       285.0699 6481.741       283.6351 278.4536 5.995101 274.9704 6.040489 3.483215       8.510509 
1 1 1 6   1  18 o 58.09871 7.549086 295.0725       73.12695 276.6505       99.46402 316.7449       107.8824 55.57996 10.86906 59.53819 11.01668 -3.958233      15.47591 
1 1 1 6   1  19 o 123.8167 5.321033 1314.262       112.5064 1165.044       154.4371 1483.004       164.2302 116.0457 7.839255 131.0816 7.366713 -15.03590      10.75743 
1 1 1 6   1  20 o 208.8742 12.89326 3835.709       457.6367 4002.140       645.5615 3667.581       648.8431 210.4709 18.13870 200.7937 19.15521 9.677124       26.38057 
1 1 1 6   1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   1  22 o 152.5213 4.518970 1993.504       117.6988 1982.756       198.7789 1999.307       146.0540 151.3926 7.714464 152.5936 5.604994 -1.201004      9.535666 
1 1 1 6   1  23 o 165.9861 3.962217 2360.442       112.3083 2398.565       158.3881 2321.893       159.2714 167.0479 5.552386 164.3317 5.675636 2.716125       7.939888 
1 1 1 6   1  24 o 79.35330 4.583203 542.6682       61.84196 648.2509       87.90899 439.2259       87.01337 86.48849 5.988998 70.82497 7.299029 15.66351       9.441607 
1 1 1 6   1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   1  26 o 155.3722 3.789695 2074.065       100.5494 1960.379       142.2653 2187.537       142.1315 150.5258 5.534599 159.1195 5.230762 -8.593781      7.615291 
1 1 1 6   1  27 o 52.34025 6.619606 242.7268       57.84292 271.0392       82.84803 215.8002       80.79509 54.49432 9.232492 48.19924 10.13755 6.295074       13.71163 
1 1 1 6   1  28 o 50.14502 6.196192 223.1217       51.92975 198.4703       70.92080 251.6155       76.24772 46.20368 9.310383 52.35442 8.843502 -6.150734      12.84098 
1 1 1 6   1  29 o 15.89833 7.530445 -59.63661      54.51921 -65.01185      91.41547 -56.66935      67.92019 21.84661 10.15456 18.56340 8.669879 3.283215       13.35223 
1 1 1 6   1  30 o 31.78523 9.450126 95.25854       55.06332 59.92756       88.51848 117.5592       70.32587 29.66646 11.75372 35.00784 10.73956 -5.341383      15.92131 
1 1 1 6   2  0  o 401.5439 8.182299 13811.95       561.0613 13539.45       810.3947 14062.81       777.5455 396.8294 11.95889 404.5869 11.25414 -7.757446      16.42165 
1 1 1 6   2  1  o 308.8060 6.399725 8160.646       337.4807 8152.700       477.2106 8168.596       477.3291 308.3058 9.064137 308.6072 9.057531 -0.3014221     12.81396 
1 1 1 6   2  2  o 228.8717 4.464296 4478.310       174.4805 4292.206       293.1501 4580.406       217.1280 223.7852 7.671086 231.3893 5.495037 -7.604141      9.436153 
1 1 1 6   2  3  o 408.1492 6.343453 14263.17       442.1266 14345.56       754.4797 14220.08       545.6267 408.2460 10.82240 407.2331 7.846042 1.012878       13.36730 
1 1 1 6   2  4  o 329.1707 4.613378 9264.117       259.3236 9268.490       366.8873 9259.751       366.5909 329.0245 6.529840 328.8697 6.527636 0.1548462      9.233030 
1 1 1 6   2  5  o 115.5402 3.000498 1140.350       59.20089 1121.473       84.05801 1158.928       83.39139 114.5522 4.297084 116.4520 4.193457 -1.899857      6.004166 
1 1 1 6   2  6  o 151.8024 3.291914 1968.384       85.33539 1955.835       121.0332 1980.788       120.3348 151.2855 4.684952 152.2491 4.628438 -0.9635773     6.585682 
1 1 1 6   2  7  o 482.3354 6.736244 19891.73       554.8414 19808.99       784.7917 19974.42       784.5369 480.9941 9.554605 483.0044 9.511749 -2.010254      13.48198 
1 1 1 6   2  8  o 317.9879 4.942169 8639.608       268.3676 8535.312       379.3779 8744.071       379.6804 315.9506 7.031549 319.7961 6.952535 -3.845459      9.888398 
1 1 1 6   2  9  o 634.6582 7.960799 34456.04       862.7769 34644.86       1220.249 34267.27       1220.053 635.8042 11.23888 632.3172 11.29904 3.487000       15.93678 
1 1 1 6   2  10 o 209.0285 3.754131 3732.301       134.0037 3839.011       189.9244 3626.518       189.0980 211.9505 5.247403 205.9968 5.375571 5.953766       7.512123 
1 1 1 6   2  11 f 450.1722 5.408483 17321.07       415.7728 17650.08       588.3304 16992.81       587.6531 454.2026 7.585246 445.6491 7.721934 8.553528       10.82424 
1 1 1 6   2  12 o 307.1583 4.500457 8062.251       236.0591 8222.746       334.4383 7902.903       333.2409 310.0762 6.316052 303.9775 6.419703 6.098633       9.005837 
1 1 1 6   2  13 o 248.8495 3.653645 5291.081       155.2620 5351.855       217.5031 5227.936       221.7044 250.1936 5.090815 247.2695 5.250512 2.924042       7.313294 
1 1 1 6   2  14 o 176.4296 4.197706 2660.753       126.4694 2744.061       158.1114 2512.780       210.7238 179.1182 5.169179 171.2658 7.205118 7.852402       8.867589 
1 1 1 6   2  15 f 385.4567 6.194518 12725.27       407.7416 12872.35       688.2071 12645.72       506.1384 386.5851 10.42491 383.9219 7.720127 2.663116       12.97224 
1 1 1 6   2  16 o 234.8899 3.641368 4717.022       146.0599 4760.523       207.1519 4674.015       205.9727 235.8174 5.144123 233.6628 5.162004 2.154587       7.287542 
1 1 1 6   2  17 o 270.6611 4.221085 6267.521       195.0976 6201.415       276.3659 6333.191       275.4557 268.9517 6.017392 271.8093 5.934518 -2.857635      8.451480 
1 1 1 6   2  18 o 128.0557 3.512217 1402.385       76.80371 1369.865       114.6127 1428.891       103.4732 126.4320 5.308522 129.1790 4.690663 -2.746956      7.083976 
1 1 1 6   2  19 o 89.23189 4.575528 683.6995       69.48646 744.1718       120.2104 653.3548       85.15410 92.65246 7.666600 87.07768 5.759119 5.574776       9.588755 
1 1 1 6   2  20 o 290.8490 15.50733 7517.569       767.4249 8120.550       1087.082 6918.520       1083.532 296.9803 21.58300 272.1628 23.54563 24.81744       31.94092 
1 1 1 6   2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   2  22 o 180.2814 3.953186 2782.922       121.7027 2964.799       177.3479 2621.037       167.3169 185.8176 5.589040 174.7099 5.608160 11.10773       7.917628 
1 1 1 6   2  23 o 32.28605 11.82312 75.47828       85.16333 25.65507       122.7098 121.7770       118.2900 32.19412 13.42569 39.32864 13.99533 -7.134518      19.39377 
1 1 1 6   2  24 o 265.5985 4.407159 6058.002       199.8878 6098.396       282.7287 6017.633       282.6395 265.7201 6.230795 263.9352 6.270954 1.784882       8.840117 
1 1 1 6   2  25 o 71.92654 5.201692 448.3030       63.45950 354.4423       94.63578 524.9921       85.54220 62.91318 9.070814 77.55746 6.519321 -14.64429      11.17055 
1 1 1 6   2  26 o 27.15493 9.347908 60.48503       52.49021 1.681146       76.42073 113.0045       72.22184 24.13437 10.35173 35.33543 10.89057 -11.20107      15.02541 
1 1 1 6   2  27 o 92.78779 4.220844 742.0684       66.87935 606.1974       95.47755 872.9567       93.71056 82.99095 6.796635 100.1685 5.499469 -17.17754      8.742907 
1 1 1 6   2  28 o 100.8364 4.394794 879.4110       75.67595 935.6833       116.6828 838.5562       99.42158 102.9622 6.672223 97.76518 5.983978 5.197044       8.962508 
1 1 1 6   2  29 o 27.12796 9.324923 63.11560       52.22309 95.47269       77.01876 35.57866       71.05090 32.71988 11.31990 25.86180 10.43373 6.858078       15.39490 
1 1 1 6   2  30 o 23.81578 9.668149 28.79825       61.41630 81.54576       89.13476 -18.87958      84.74310 31.65988 11.99602 23.26327 10.40353 8.396618       15.87886 
1 1 1 6   3  0  o 211.5155 4.420733 3824.549       159.6756 3678.909       225.5846 3970.786       226.0467 207.3144 6.372034 215.4003 6.145400 -8.085815      8.852612 
1 1 1 6   3  1  o 309.5837 5.502079 8199.717       290.8753 8054.997       420.4282 8332.592       402.8540 306.4924 8.032860 311.8038 7.565965 -5.311462      11.03497 
1 1 1 6   3  2  o 118.3318 3.917371 1196.840       79.15858 1253.474       114.3592 1144.743       109.6815 121.0353 5.532957 115.6658 5.552986 5.369476       7.838958 
1 1 1 6   3  3  o 197.8867 4.799320 3348.555       162.1804 3481.572       229.3818 3215.594       229.3335 201.6387 6.661672 193.7604 6.931076 7.878281       9.613412 
1 1 1 6   3  4  o 223.4376 3.740168 4265.962       142.7083 4485.151       239.7726 4145.722       177.5882 228.9580 6.132559 220.2161 4.722405 8.741882       7.740116 
1 1 1 6   3  5  o 293.9041 5.163513 7383.627       259.1510 7568.906       448.8941 7291.007       317.3828 297.2474 8.843494 291.9700 6.365657 5.277344       10.89628 
1 1 1 6   3  6  o 203.3744 3.866091 3533.284       134.2673 3567.402       187.9928 3497.758       191.8305 204.3065 5.388368 202.2964 5.553000 2.010101       7.737591 
1 1 1 6   3  7  o 271.7011 4.151945 6306.242       192.6393 6221.003       272.4811 6391.420       272.3852 269.7897 5.914378 273.4638 5.832862 -3.674133      8.306753 
1 1 1 6   3  8  o 431.0374 5.213579 15876.07       383.7539 15897.73       549.0810 15855.38       536.5556 431.1543 7.457646 430.5945 7.297000 0.5598450      10.43373 
1 1 1 6   3  9  o 335.5083 4.959862 9618.461       284.1678 9813.878       397.7074 9414.634       406.1742 338.7820 6.874504 331.7984 7.168630 6.983612       9.932173 
1 1 1 6   3  10 o 198.0710 3.519290 3351.131       119.0358 3156.925       199.9765 3457.702       148.1390 192.1673 6.093932 201.1751 4.312144 -9.007813      7.465292 
1 1 1 6   3  11 o 302.9623 3.990433 7841.606       206.4479 7887.586       292.7311 7796.106       291.1977 303.7597 5.643347 301.9929 5.646631 1.766846       7.983221 
1 1 1 6   3  12 o 491.1555 6.555014 20636.71       549.7872 21019.53       777.9301 20254.70       777.1036 495.2319 9.198775 486.1059 9.361514 9.126007       13.12461 
1 1 1 6   3  13 o 285.3917 5.224106 6964.910       254.5982 7036.415       317.0086 6834.984       427.3158 286.7361 6.474209 282.3143 8.863683 4.421844       10.97635 
1 1 1 6   3  14 o 125.5785 3.250570 1347.475       69.70704 1300.001       99.16846 1393.839       98.00315 123.2968 4.709989 127.6780 4.494921 -4.381203      6.510631 
1 1 1 6   3  15 o 230.4766 4.048121 4541.953       159.3244 4473.598       225.1865 4610.469       225.4513 228.5685 5.769310 232.0480 5.689487 -3.479416      8.102790 
1 1 1 6   3  16 o 247.0476 5.481007 5227.296       231.2293 5285.902       327.4632 5169.016       326.5538 248.0497 7.730755 245.2790 7.796371 2.770691       10.97943 
1 1 1 6   3  17 o 176.6650 3.480578 2668.675       105.0035 2641.510       149.5680 2695.076       147.4494 175.6310 4.986955 177.4153 4.866873 -1.784241      6.968226 
1 1 1 6   3  18 o 191.0823 3.557671 3122.866       116.0882 3178.447       164.0734 3067.149       164.2738 192.6168 4.988179 189.2021 5.084410 3.414719       7.122721 
1 1 1 6   3  19 o 95.73039 3.588506 783.9854       58.66316 815.5784       83.44592 753.1143       82.48686 97.42099 5.033112 93.58739 5.181569 3.833595       7.223633 
1 1 1 6   3  20 o 60.82708 20.25834 326.1224       246.3822 400.1882       381.0990 272.9344       322.9505 69.03452 25.05152 60.56279 22.86118 8.471729       33.91478 
1 1 1 6   3  21 o 284.5938 5.320184 6948.317       258.5557 7039.994       318.5074 6771.167       442.7526 286.1265 6.518679 279.5995 9.273053 6.526947       11.33502 
1 1 1 6   3  22 o 198.1717 3.953613 3362.955       133.7943 3351.625       189.6336 3374.186       188.7966 197.5440 5.621464 198.2168 5.577657 -0.6727600     7.919034 
1 1 1 6   3  23 o 122.3287 3.883454 1282.287       81.12385 1346.876       115.7789 1219.995       113.7022 125.1602 5.417030 119.0921 5.590928 6.068054       7.784772 
1 1 1 6   3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   3  25 o 86.63927 4.358394 647.1016       64.27678 684.9304       98.97145 619.5072       84.52952 88.60970 6.587846 84.42925 5.900004 4.180450       8.843628 
1 1 1 6   3  26 o 75.79487 5.011471 498.2797       64.49841 539.4233       92.06394 458.6202       90.38819 78.32748 6.955294 72.01659 7.457919 6.310890       10.19788 
1 1 1 6   3  27 o 65.47168 5.794456 375.5642       64.11496 227.8384       101.0711 475.0395       82.93855 48.78176 12.17233 73.40083 6.690371 -24.61907      13.88980 
1 1 1 6   3  28 o 90.71348 4.900413 716.3565       75.62969 727.9572       107.2128 704.8661       106.7021 90.56324 6.986539 89.06572 7.073777 1.497520       9.942336 
1 1 1 6   3  29 o 71.57880 5.694652 451.2991       69.03151 421.0241       100.8114 478.0279       94.72340 67.63591 8.947997 72.76418 7.742130 -5.128273      11.83247 
1 1 1 6   3  30 f 34.37781 9.849103 113.3951       60.78615 73.01395       93.47528 142.9840       80.01492 31.13359 12.15633 38.12960 11.40442 -6.996014      16.66844 
1 1 1 6   4  0  o 257.7567 5.803392 5686.051       255.4428 5644.687       352.7353 5731.667       370.4142 256.5394 8.051799 258.4581 8.392581 -1.918671      11.63043 
1 1 1 6   4  1  o 427.2830 8.510085 15664.20       620.9426 15804.34       878.1415 15524.05       878.1494 428.1648 12.01024 424.3139 12.11935 3.850830       17.06237 
1 1 1 6   4  2  o 268.0415 5.761405 6146.878       263.7136 5991.872       381.3147 6288.987       365.1076 264.3335 8.447525 270.8824 7.892929 -6.548920      11.56110 
1 1 1 6   4  3  o 116.4301 3.623652 1158.236       72.04662 1237.224       104.7014 1087.198       99.29230 120.2948 5.096870 112.7639 5.156363 7.530884       7.250253 
1 1 1 6   4  4  o 138.0406 4.186622 1628.172       98.68983 1640.963       136.6703 1614.234       142.6592 138.5364 5.777079 137.3933 6.080405 1.143112       8.387251 
1 1 1 6   4  5  o 204.8934 4.008000 3586.420       140.2354 3398.950       235.3705 3689.595       174.6116 199.3605 6.913705 207.7913 4.920890 -8.430771      8.486135 
1 1 1 6   4  6  o 417.8279 6.761659 14926.09       482.4503 14537.48       813.0157 15137.31       599.3906 411.8253 11.56070 420.6273 8.344696 -8.801971      14.25776 
1 1 1 6   4  7  o 378.7356 5.542591 12258.26       358.4684 12389.28       604.4836 12187.20       445.1968 380.4479 9.304379 377.5438 6.905304 2.904144       11.58683 
1 1 1 6   4  8  o 231.7061 4.327282 4586.616       171.2200 5058.241       289.3067 4332.373       212.4150 243.2180 6.965637 225.1525 5.524672 18.06551       8.890563 
1 1 1 6   4  9  f 366.8556 4.950958 11500.17       310.1603 11649.55       439.8622 11352.46       437.4140 369.0869 6.978885 364.3460 7.030345 4.740845       9.906089 
1 1 1 6   4  10 o 216.3796 3.633169 3999.516       134.2467 4142.739       193.2594 3865.963       186.6217 220.1682 5.140249 212.6865 5.138309 7.481750       7.268038 
1 1 1 6   4  11 o 131.4466 3.663828 1476.075       82.24059 1500.771       105.9166 1438.580       130.5076 132.5187 4.680421 129.7100 5.891966 2.808655       7.524733 
1 1 1 6   4  12 o 61.47945 4.610915 324.8862       48.05563 391.5773       92.80392 300.4522       56.17320 67.10264 8.274135 59.00397 5.643864 8.098663       10.01571 
1 1 1 6   4  13 o 176.8384 3.518673 2672.145       106.2570 2667.945       151.7610 2676.184       148.8223 176.6283 5.031504 176.9066 4.926311 -0.2782745     7.041632 
1 1 1 6   4  14 o 129.0708 3.373173 1423.677       74.34785 1465.647       107.1329 1384.685       103.2615 130.9006 4.792688 127.2357 4.752558 3.664925       6.749568 
1 1 1 6   4  15 f 30.07409 7.287781 80.71689       37.03524 114.4184       48.79470 34.91819       56.88197 35.78824 8.164689 24.77909 9.536229 11.00915       12.55396 
1 1 1 6   4  16 o 290.2358 4.443615 7207.968       220.2365 7380.792       309.8882 7031.590       313.0589 293.3977 6.185095 286.3302 6.402609 7.067535       8.902180 
1 1 1 6   4  17 o 184.3810 3.459653 2907.116       108.9308 2971.462       155.2372 2844.700       152.8923 186.2708 4.880328 182.2507 4.912637 4.020111       6.924709 
1 1 1 6   4  18 o 269.7963 4.350479 6231.661       200.4356 6393.581       284.1821 6071.378       282.7410 272.9282 6.097425 265.9326 6.226088 6.995605       8.714515 
1 1 1 6   4  19 o 49.15942 4.909454 209.1540       40.66253 273.6483       60.73829 156.7703       54.73942 56.06676 6.462172 41.97282 7.927686 14.09394       10.22780 
1 1 1 6   4  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   4  21 o 213.6436 4.063598 3908.497       148.2527 3901.401       212.6757 3915.203       206.7710 213.1207 5.843732 213.5345 5.670476 -0.4138641     8.142697 
1 1 1 6   4  22 o 239.3058 4.882229 4913.080       199.5140 4932.970       244.2316 4873.180       345.9145 239.5068 5.971483 237.1702 8.540960 2.336548       10.42145 
1 1 1 6   4  23 o 138.4182 3.800640 1642.059       89.83628 1614.576       128.5535 1668.290       125.5936 136.9753 5.495914 139.2768 5.280641 -2.301559      7.621695 
1 1 1 6   4  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   4  25 o 45.60522 7.023667 185.0417       52.94348 74.95300       77.11742 283.1880       72.81451 31.14918 11.27442 56.42353 7.762684 -25.27435      13.68838 
1 1 1 6   4  26 o 31.89693 9.171399 92.68704       52.62291 197.9477       82.12281 19.35731       68.54424 46.04624 10.65523 24.40681 10.09400 21.63943       14.67729 
1 1 1 6   4  27 o 93.74752 4.795484 762.5540       76.51352 697.7990       108.9237 825.6311       107.5032 88.75878 7.249665 96.90949 6.534256 -8.150711      9.759823 
1 1 1 6   4  28 o 71.42616 6.027138 450.0454       72.82738 521.3589       107.2375 389.0010       99.21646 75.80924 8.426236 65.00269 9.194761 10.80655       12.47177 
1 1 1 6   4  29 o 91.81875 4.909431 736.1557       76.69875 693.7219       105.7938 783.1694       111.3567 88.07231 7.094422 93.65417 7.013787 -5.581863      9.976173 
1 1 1 6   4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   5  0  o 242.6969 5.145077 5036.878       213.2348 5009.183       308.4384 5062.234       295.1213 241.8252 7.469043 243.1391 7.107941 -1.313889      10.31065 
1 1 1 6   5  1  o 515.4336 9.241980 22782.74       813.4665 22347.39       1150.333 23218.21       1150.498 509.3286 13.22585 519.2436 12.97516 -9.914978      18.52776 
1 1 1 6   5  2  o 206.5784 5.176812 3647.973       182.6204 3741.412       258.4889 3554.857       258.0402 209.0902 7.239460 203.7993 7.414514 5.290909       10.36266 
1 1 1 6   5  3  f 358.6946 7.234311 11006.72       443.1227 10656.18       640.1382 11329.23       614.0179 352.5436 10.63308 363.6083 9.888840 -11.06470      14.52073 
1 1 1 6   5  4  o 139.9359 5.287579 1673.455       126.3537 1475.227       182.9236 1854.342       174.7395 131.0490 8.215527 147.2576 6.948826 -16.20862      10.76016 
1 1 1 6   5  5  o 179.6929 4.438321 2758.565       136.1919 2599.553       196.2168 2906.383       189.1846 174.3766 6.589399 184.4004 6.007892 -10.02374      8.917115 
1 1 1 6   5  6  o 469.8509 7.165292 18877.37       574.9047 19441.64       969.7493 18571.59       713.8824 476.1919 11.92547 465.8320 8.974194 10.35992       14.92491 
1 1 1 6   5  7  o 221.1781 4.078067 4179.030       154.0275 4649.212       260.3534 3925.853       191.0479 233.1963 6.537920 214.3390 5.219623 18.85732       8.365935 
1 1 1 6   5  8  o 422.2580 6.370872 15243.83       459.3870 15175.08       774.7042 15281.12       570.5151 420.7938 10.78114 422.6255 7.905140 -1.831635      13.36878 
1 1 1 6   5  9  o 171.5285 4.308347 2513.776       126.1969 2374.215       212.8065 2589.476       156.7288 166.5900 7.480558 174.0639 5.272761 -7.473846      9.152090 
1 1 1 6   5  10 o 219.4454 4.934188 4115.683       184.9031 3970.004       264.0636 4255.822       258.9950 215.4114 7.178571 223.0541 6.799536 -7.642685      9.887648 
1 1 1 6   5  11 f 367.6842 5.912563 11562.38       371.2382 11986.47       637.9355 11345.22       456.4962 373.7877 9.994242 364.0503 7.343007 9.737427       12.40180 
1 1 1 6   5  12 o 307.0709 4.306819 8059.725       225.8381 7994.106       321.1416 8123.927       317.6536 305.6460 6.152844 308.1305 6.036945 -2.484497      8.619872 
1 1 1 6   5  13 o 84.87833 4.436532 617.6761       64.08133 669.4571       91.44854 567.7201       89.82270 88.21979 6.107863 81.15700 6.536658 7.062790       8.946167 
1 1 1 6   5  14 f 240.9635 3.960977 4964.501       162.9879 5163.034       233.3010 4775.226       227.7970 245.5692 5.563408 236.1566 5.648668 9.412598       7.928365 
1 1 1 6   5  15 o 174.4133 3.662910 2600.974       109.0957 2775.646       157.0350 2438.025       151.6740 180.0564 5.107238 168.7365 5.263809 11.31984       7.334274 
1 1 1 6   5  16 o 161.9777 3.514452 2243.448       97.21087 2231.310       139.4406 2254.925       135.5939 161.4129 5.058818 162.2806 4.892960 -0.8676758     7.037947 
1 1 1 6   5  17 o 218.3445 3.774468 4078.353       140.7343 4247.292       201.8307 3918.481       196.3396 222.6135 5.309258 213.8126 5.377405 8.800949       7.556765 
1 1 1 6   5  18 o 77.21374 4.103044 511.7585       53.90650 541.6445       83.92391 490.7676       70.33439 79.17387 6.258305 75.44718 5.496933 3.726692       8.329624 
1 1 1 6   5  19 o 231.6890 13.76706 4738.370       542.2405 4879.627       761.3038 4592.925       772.5067 231.4436 19.44257 223.7722 20.44169 7.671402       28.21128 
1 1 1 6   5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   5  21 o 160.1061 3.683091 2194.121       100.6983 2204.346       148.0510 2185.319       137.3663 160.2500 5.410176 159.6130 5.039764 0.6370544      7.393864 
1 1 1 6   5  22 o 79.56421 4.440143 544.5550       60.08708 561.4625       86.46687 528.7653       83.55962 80.48870 6.342288 78.09961 6.319519 2.389091       8.953264 
1 1 1 6   5  23 o 166.7512 4.379293 2387.489       124.7024 2360.110       212.7768 2401.813       153.9043 164.8845 7.556880 167.0091 5.396457 -2.124603      9.285913 
1 1 1 6   5  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   5  25 o 170.3393 3.866037 2493.551       112.4561 2644.348       160.6493 2348.659       157.4721 174.8861 5.379247 164.7336 5.597829 10.15257       7.763504 
1 1 1 6   5  26 o 104.9937 4.585560 951.4554       82.21621 924.4207       116.3109 978.4532       116.2317 102.6773 6.669662 105.7278 6.468857 -3.050529      9.291421 
1 1 1 6   5  27 o 59.57640 9.296082 326.0681       91.48707 239.4399       140.5452 389.7651       120.5164 48.88525 15.21315 64.19261 11.41226 -15.30737      19.01787 
1 1 1 6   5  28 f 50.79926 7.887321 235.4025       66.20195 244.2348       89.82947 224.9026       97.94327 50.50394 10.74590 47.87391 12.00286 2.630035       16.11034 
1 1 1 6   5  29 o 131.6430 4.187688 1502.593       94.14000 1643.263       132.7430 1360.253       133.5286 136.7925 5.682604 123.8994 6.332222 12.89310       8.508174 
1 1 1 6   6  0  o 627.9572 9.169527 33776.17       983.2838 34776.96       1701.951 33274.76       1204.678 635.2553 15.68905 622.7598 11.32788 12.49554       19.35115 
1 1 1 6   6  1  o 647.7020 10.01795 35944.23       1108.042 38186.56       1891.042 34771.87       1367.358 665.5760 16.63802 636.4158 12.58170 29.16016       20.85960 
1 1 1 6   6  2  o 142.5915 4.338114 1737.070       105.6322 1872.827       153.1412 1613.856       145.8951 148.0168 6.058697 137.3982 6.218097 10.61855       8.681736 
1 1 1 6   6  3  o 349.0068 7.130939 10415.82       424.9937 9794.451       600.5937 11039.00       601.4710 338.1501 10.40086 359.0549 9.809613 -20.90482      14.29708 
1 1 1 6   6  4  o 392.0836 7.487366 13147.40       501.3138 13316.15       724.4485 12992.34       694.4331 394.2485 10.76058 389.4639 10.44146 4.784637       14.99380 
1 1 1 6   6  5  o 86.93542 3.895048 645.5986       57.82444 675.8532       88.89757 623.4099       76.13095 88.72758 5.900826 85.25087 5.255120 3.476707       7.901647 
1 1 1 6   6  6  o 511.8606 9.420668 22432.46       823.4464 22754.34       1189.376 22136.13       1141.177 514.7647 13.53034 507.8016 13.16003 6.963074       18.87475 
1 1 1 6   6  7  o 445.2377 7.249572 16955.33       551.1962 16715.13       954.7819 17075.40       675.0458 441.2907 12.67002 446.6223 8.850971 -5.331573      15.45539 
1 1 1 6   6  8  o 203.6483 3.532384 3542.638       122.8431 3865.985       207.7720 3368.861       152.3171 212.6625 5.721292 198.5635 4.492077 14.09900       7.274059 
1 1 1 6   6  9  o 217.1144 4.881023 4028.662       180.9678 3832.134       256.9914 4221.969       254.8761 211.6400 7.110807 222.1682 6.718083 -10.52815      9.782445 
1 1 1 6   6  10 o 365.1719 6.695096 11410.14       417.4997 10746.90       1466.759 11468.62       435.5151 348.9203 24.77785 366.0742 6.966780 -17.15390      25.73865 
1 1 1 6   6  11 o 152.5608 3.511775 1988.682       91.48956 1967.588       154.8087 2000.004       113.4145 151.6476 5.978027 152.9658 4.341826 -1.318192      7.388387 
1 1 1 6   6  12 o 133.4924 4.662264 1523.842       106.2810 1344.492       151.4930 1697.671       149.1425 125.0643 7.122922 140.8192 6.202085 -15.75485      9.444674 
1 1 1 6   6  13 o 532.7564 8.023585 24366.63       729.9601 23679.05       1231.352 24739.20       906.3989 522.4125 13.80278 536.0529 9.901701 -13.64038      16.98707 
1 1 1 6   6  14 o 210.3188 3.860072 3782.507       138.6358 3833.064       198.2203 3734.094       193.9700 211.5580 5.486772 208.8143 5.439669 2.743683       7.726233 
1 1 1 6   6  15 o 94.64471 3.334328 765.7965       53.88980 746.7659       81.56676 780.5382       71.78944 93.23948 5.142735 95.50655 4.401751 -2.267075      6.769278 
1 1 1 6   6  16 o 71.34238 3.536487 435.2853       43.08456 486.5584       68.87723 402.3269       55.22227 75.15388 5.402942 68.37917 4.758867 6.774704       7.199903 
1 1 1 6   6  17 o 55.82824 4.310020 268.4115       40.77179 190.8703       67.03954 313.9276       51.36263 46.27727 8.804944 60.31853 5.032434 -14.04126      10.14162 
1 1 1 6   6  18 o 50.48075 4.811505 220.3380       40.97511 197.3360       71.52109 231.5767       49.99289 46.96936 9.246137 51.62756 5.769187 -4.658199      10.89837 
1 1 1 6   6  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   6  20 o 30.32256 7.898231 82.29472       41.30466 73.28196       66.61232 87.92479       52.64810 30.43969 10.52762 31.55149 9.203115 -1.111795      13.98314 
1 1 1 6   6  21 o 92.90657 3.838022 739.1577       60.89137 765.0771       92.97842 719.6926       80.57426 94.16815 5.810358 91.42068 5.182510 2.747475       7.785799 
1 1 1 6   6  22 o 45.47194 6.119987 181.3418       46.31533 99.16138       69.88606 245.7043       61.84764 33.81438 10.75609 52.86672 7.024687 -19.05234      12.84677 
1 1 1 6   6  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   6  24 o 268.3044 5.240979 6212.281       240.1277 6291.017       423.9067 6175.079       291.3864 266.9809 9.297972 266.8099 6.395365 0.1709900      11.28508 
1 1 1 6   6  25 o 113.3579 5.267419 1111.593       101.9651 1109.043       126.0485 1116.420       173.4406 112.6390 6.581737 111.8162 9.163817 0.8228378      11.28250 
1 1 1 6   6  26 o 116.6571 4.421853 1174.850       88.08817 1108.901       128.4743 1233.359       121.0113 112.3438 6.727730 118.8466 5.981762 -6.502800      9.002435 
1 1 1 6   6  27 o 232.7240 4.381297 4687.073       174.1189 4501.622       250.4244 4860.630       242.2609 226.2830 6.480714 235.5973 6.021590 -9.314270      8.846423 
1 1 1 6   6  28 o 76.20079 8.161997 527.0297       104.5558 587.6843       200.7842 504.4628       122.4713 74.57561 16.22753 73.46577 10.02380 1.109840       19.07378 
1 1 1 6   6  29 o 85.58872 5.206625 643.7069       75.73662 553.1701       119.3929 704.6700       97.97144 77.00301 9.265635 88.87440 6.500464 -11.87140      11.31848 
1 1 1 6   7  0  o 191.0277 3.690338 3117.038       120.3828 3051.461       202.7426 3152.748       149.6119 188.9342 6.283948 192.0981 4.560802 -3.163925      7.764594 
1 1 1 6   7  1  o 820.0372 12.05786 57664.64       1688.518 62611.89       2924.283 55190.22       2068.116 851.2338 20.11725 801.2670 15.11457 49.96680       25.16255 
1 1 1 6   7  2  o 277.1601 4.836054 6563.525       228.8884 6553.163       392.8643 6568.850       281.6225 276.7522 8.312844 277.2227 5.948899 -0.4705811     10.22217 
1 1 1 6   7  3  o 809.7872 12.87397 56273.54       1780.268 57130.09       2569.992 55483.35       2468.437 813.7524 18.49428 802.1483 18.02044 11.60413       25.82199 
1 1 1 6   7  4  o 370.4347 6.892492 11733.94       436.0034 12008.31       630.3614 11482.29       603.7058 374.4484 9.858157 366.1781 9.654529 8.270294       13.79830 
1 1 1 6   7  5  o 320.0702 6.799505 8760.284       371.6417 8712.509       537.5688 8804.022       514.3605 318.9299 9.870449 320.6485 9.393696 -1.718536      13.62598 
1 1 1 6   7  6  f 400.4835 7.476141 13720.87       511.2862 13935.13       739.1588 13524.29       707.9841 403.1847 10.73573 397.2403 10.43682 5.944458       14.97275 
1 1 1 6   7  7  o 518.7833 9.947330 23064.74       881.2404 23106.84       1273.197 23026.02       1220.968 518.2141 14.38747 517.4615 13.81733 0.7526245      19.94788 
1 1 1 6   7  8  o 508.8385 9.428641 22189.70       819.2774 23061.41       4050.923 22152.52       836.5650 494.0386 48.64769 508.3698 9.636470 -14.33127      49.59293 
1 1 1 6   7  9  o 90.01866 3.875976 692.4069       59.58207 600.5317       112.1856 728.5041       70.31929 83.35531 7.978856 92.32414 4.460230 -8.968834      9.140886 
1 1 1 6   7  10 o 147.5193 4.369025 1860.196       110.0615 1919.116       164.0323 1811.948       148.4348 149.7399 6.414896 145.5224 5.973154 4.217499       8.765242 
1 1 1 6   7  11 o 221.2909 4.056272 4186.024       153.2825 4101.758       260.7673 4230.511       189.4723 218.8042 6.979037 222.3977 4.989001 -3.593460      8.578875 
1 1 1 6   7  12 o 264.1549 4.920593 5970.097       221.9617 5965.361       375.0223 5972.651       275.3735 263.5456 8.332961 264.0651 6.106736 -0.5195007     10.33104 
1 1 1 6   7  13 o 221.3878 4.700783 4194.107       177.7157 3988.686       295.6419 4310.332       222.3780 215.4412 8.035913 224.3042 5.805672 -8.862991      9.913713 
1 1 1 6   7  14 o 108.1489 3.768444 1000.257       69.59628 906.7867       123.7224 1043.526       84.17712 102.5201 7.110996 110.4276 4.463900 -7.907539      8.395991 
1 1 1 6   7  15 o 179.0282 3.973528 2742.180       121.4785 2948.584       206.5194 2632.981       150.2142 185.3251 6.525662 175.3217 5.017340 10.00340       8.231523 
1 1 1 6   7  16 o 123.4908 3.662951 1304.583       77.24453 1335.532       137.6729 1290.363       93.31683 124.5256 6.496744 122.7601 4.451443 1.765495       7.875470 
1 1 1 6   7  17 o 188.4884 4.096064 3041.364       131.8418 3244.281       221.0897 2929.385       164.2394 194.2603 6.664729 184.8389 5.203340 9.421448       8.455375 
1 1 1 6   7  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   7  19 f 248.2639 4.265475 5278.903       180.8352 5310.461       260.5400 5249.568       251.1952 248.5941 6.137362 247.2120 5.950313 1.382050       8.548300 
1 1 1 6   7  20 f 167.3486 3.724384 2397.405       106.4335 2531.973       158.3808 2286.592       143.7238 171.7363 5.400557 163.2417 5.155796 8.494522       7.466475 
1 1 1 6   7  21 o 112.2456 3.912197 1079.550       74.98799 1065.838       111.2661 1090.962       101.5031 111.1319 5.883989 112.6750 5.275334 -1.543076      7.902562 
1 1 1 6   7  22 o 150.9758 3.917490 1955.200       100.9990 2082.824       152.0464 1854.416       135.1162 155.4184 5.728908 146.7312 5.392412 8.687241       7.867559 
1 1 1 6   7  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   7  24 o 77.75388 4.729925 523.1316       62.50423 500.9209       100.0913 537.3298       80.02619 75.18764 7.914419 78.48883 6.016462 -3.301193      9.941622 
1 1 1 6   7  25 o 76.31738 5.767248 508.5815       74.60641 665.1665       119.8129 409.4156       95.34756 86.41605 8.218032 67.54313 8.451614 18.87292       11.78838 
1 1 1 6   7  26 o 88.86273 5.887187 691.9633       88.83057 681.1398       149.7498 697.8397       110.3403 85.89108 10.42332 88.61160 7.358486 -2.720512      12.75903 
1 1 1 6   7  27 o 28.01994 11.16964 47.38810       80.39268 174.0917       99.58485 -189.6838      136.2193 42.09186 12.75305 23.03485 11.16548 19.05701       16.95017 
1 1 1 6   7  28 o 44.82969 9.479601 190.7444       70.30196 269.5526       124.9604 154.2497       85.03584 51.06522 13.93950 39.62726 11.73513 11.43796       18.22150 
1 1 1 6   8  0  f 419.6578 6.399757 15056.66       458.6282 15693.72       772.3124 14709.62       570.0185 427.9630 10.56781 414.6361 8.050445 13.32687       13.28489 
1 1 1 6   8  1  o 105.2416 3.557207 946.0715       63.92906 916.7315       104.2243 963.7685       80.94457 103.3899 5.927970 106.2089 4.462981 -2.819000      7.420177 
1 1 1 6   8  2  o 406.4189 6.547850 14123.19       454.4380 15496.42       775.3635 13404.65       560.8676 425.2218 10.67795 395.7761 8.298677 29.44574       13.52356 
1 1 1 6   8  3  o 107.2237 4.515209 982.3231       82.67433 1013.687       121.9778 955.6711       112.4418 108.6797 6.603794 105.5399 6.267025 3.139793       9.104157 
1 1 1 6   8  4  o 270.8808 4.497671 6269.611       208.0500 6260.606       351.0071 6274.488       258.3169 270.5060 7.598661 270.9335 5.583264 -0.4274597     9.429341 
1 1 1 6   8  5  f 392.4868 7.133610 13178.16       478.1193 13425.37       691.9276 12952.26       661.4286 395.7495 10.23855 388.7543 9.963361 6.995148       14.28623 
1 1 1 6   8  6  o 492.5171 10.38492 20803.37       873.4267 21329.36       980.0807 18773.52       1925.318 498.4527 11.51426 462.6606 24.45588 35.79208       27.03088 
1 1 1 6   8  7  o 375.5694 9.275393 12092.04       594.8732 10834.58       2176.558 12193.56       618.4188 343.2974 37.75133 377.0880 9.603688 -33.79062      38.95374 
1 1 1 6   8  8  o 179.7833 4.676778 2763.055       143.5814 2224.815       248.1909 3033.803       176.0279 160.8070 9.075214 188.3444 5.473018 -27.53735      10.59780 
1 1 1 6   8  9  o 192.9501 4.020028 3182.051       132.4573 3149.049       233.1847 3197.773       160.9437 191.7369 7.121844 193.3796 4.873731 -1.642700      8.629827 
1 1 1 6   8  10 o 284.9240 4.494272 6942.018       218.6706 7113.114       380.4425 6857.604       267.2227 287.9877 7.735942 283.0769 5.527988 4.910797       9.508073 
1 1 1 6   8  11 o 77.55569 3.736544 514.2044       49.48638 549.1123       91.31318 499.6887       58.88317 79.74937 6.769022 76.29628 4.539961 3.453094       8.150516 
1 1 1 6   8  12 o 88.51277 3.899358 669.9769       58.93876 738.6471       112.8603 644.2263       69.11156 92.48950 7.202526 86.63916 4.688714 5.850342       8.594208 
1 1 1 6   8  13 o 179.0817 4.046551 2743.381       123.7480 2587.535       217.3319 2818.148       150.5334 173.5509 7.333219 181.4308 4.858699 -7.879883      8.796764 
1 1 1 6   8  14 o 159.2117 3.773582 2168.311       102.5961 2166.016       174.9799 2169.513       126.6506 158.8469 6.450708 159.1791 4.659286 -0.3321686     7.957423 
1 1 1 6   8  15 o 135.5972 3.921410 1573.353       90.80193 1438.680       163.8237 1633.072       109.0924 129.0833 7.463832 138.0874 4.626350 -9.004135      8.781339 
1 1 1 6   8  16 o 159.7509 3.929015 2184.200       107.1838 2303.194       182.6192 2121.667       132.3843 163.7018 6.532672 157.3405 4.927130 6.361359       8.182446 
1 1 1 6   8  17 o 22.84763 11.44969 -534.0541      191.3005 -416.9192      313.1915 -603.7639      241.6091 36.26920 17.41637 26.62490 13.26924 9.644297       21.89527 
1 1 1 6   8  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   8  19 o 21.86282 7.564116 37.23855       34.38984 218.6655       74.76260 -11.45148      38.73054 49.46227 9.189612 16.22473 7.156600 33.23754       11.64757 
1 1 1 6   8  20 o 94.69750 4.296630 768.7846       69.48137 847.8740       118.3872 727.2280       85.81549 98.86822 7.058461 91.82343 5.498100 7.044785       8.947122 
1 1 1 6   8  21 o 55.67697 6.078582 270.4918       56.85458 358.3939       107.0202 235.9287       67.10767 63.11803 10.28319 51.56157 7.871036 11.55646       12.94980 
1 1 1 6   8  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   8  23 o 214.2910 4.185142 3949.125       153.1497 3810.626       226.4223 4065.925       207.9301 209.5372 6.327849 216.8162 5.615956 -7.279068      8.460534 
1 1 1 6   8  24 o 56.89545 6.387561 285.2396       60.98825 161.8970       105.0370 347.9728       74.90910 41.71144 13.17787 62.68864 7.124035 -20.97720      14.98026 
1 1 1 6   8  25 o 25.25116 9.500558 44.76621       55.67331 110.7017       83.33469 -8.383358      74.81971 35.16067 11.78267 22.95620 10.04135 12.20447       15.48096 
1 1 1 6   8  26 o 72.67294 5.896377 465.0610       72.54362 485.2372       115.1831 451.7962       93.39401 72.54774 9.527836 70.80370 7.856814 1.744049       12.34946 
1 1 1 6   8  27 o 52.57075 8.075139 253.1741       70.17461 255.7235       117.5589 251.7629       87.46765 50.23563 13.44041 51.38692 10.32596 -1.151287      16.94905 
1 1 1 6   8  28 o 64.15279 6.897989 371.0080       74.38110 387.3707       142.6084 364.8932       87.17845 60.97669 13.99230 62.88359 8.322906 -1.906898      16.28052 
1 1 1 6   9  0  o 331.6313 5.487797 9400.698       310.7817 10170.66       515.6518 8961.469       389.4653 344.6522 8.761401 323.6760 7.046223 20.97617       11.24328 
1 1 1 6   9  1  o 569.3508 7.810036 27740.82       759.3376 28002.95       1314.502 27609.55       930.2458 570.7511 13.48691 567.6735 9.596153 3.077576       16.55243 
1 1 1 6   9  2  o 297.0625 4.532086 7540.704       229.9047 7428.740       393.5980 7598.688       283.2476 294.6179 7.823333 298.1426 5.563400 -3.524719      9.599790 
1 1 1 6   9  3  o 330.6321 5.515514 9345.422       311.4103 9789.706       529.2053 9110.090       385.1542 338.0322 9.167780 326.3278 6.911601 11.70444       11.48122 
1 1 1 6   9  4  o 190.3286 3.600132 3094.759       117.0104 2855.875       196.2707 3226.478       145.7420 182.7287 6.289943 194.3097 4.392263 -11.58101      7.671725 
1 1 1 6   9  5  o 192.8633 4.704039 3179.367       154.9254 3259.772       219.4001 3099.404       218.7962 195.1859 6.582436 190.3148 6.732327 4.871017       9.415555 
1 1 1 6   9  6  o 121.4534 4.434979 1260.848       91.98209 814.0974       372.4481 1289.866       94.92240 94.42535 23.25223 122.8404 4.525073 -28.41503      23.68845 
1 1 1 6   9  7  o 226.3938 4.670002 4382.197       180.5442 4539.976       270.4041 4255.279       242.5217 230.2506 6.877182 222.9610 6.369711 7.289612       9.373838 
1 1 1 6   9  8  o 311.8214 5.867499 8322.392       312.4358 8465.253       462.0835 8202.071       424.0628 314.0421 8.616495 309.2288 8.030607 4.813324       11.77857 
1 1 1 6   9  9  o 95.63537 4.244080 782.0904       69.31129 859.0438       125.0510 747.9665       83.27272 99.80910 7.389453 93.34245 5.245485 6.466652       9.061961 
1 1 1 6   9  10 o 181.4331 4.127798 2815.218       127.8901 2638.390       223.1381 2901.720       156.0672 175.3207 7.453129 184.1327 4.963396 -8.811981      8.954576 
1 1 1 6   9  11 o 117.8490 3.786918 1187.659       76.21030 1150.712       136.0334 1204.560       92.00414 115.5894 6.923566 118.6446 4.541063 -3.055199      8.279917 
1 1 1 6   9  12 o 126.6064 3.820660 1370.979       82.60305 1255.146       146.9240 1424.514       99.88394 120.6708 7.162050 129.0094 4.533904 -8.338577      8.476511 
1 1 1 6   9  13 o 183.0138 3.996003 2865.885       124.8854 3010.367       219.3479 2796.586       151.9109 187.1852 6.862148 180.6887 4.923296 6.496490       8.445586 
1 1 1 6   9  14 f 137.3994 3.764786 1615.232       88.33382 1621.141       157.7758 1612.535       106.6086 137.3413 6.727246 137.2197 4.549605 0.1215820      8.121252 
1 1 1 6   9  15 o 167.4935 4.000741 2401.344       114.4302 2385.402       201.6978 2408.911       138.9580 166.4913 7.094272 167.6584 4.853513 -1.167175      8.595655 
1 1 1 6   9  16 o 55.87573 22.33381 177.7480       322.2615 0.000000       0.000000 177.7480       322.2615 ?        ?        55.87573 22.33381 0.000000       22.33381 
1 1 1 6   9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   9  18 o 242.3334 4.871346 5036.169       201.5878 4931.769       355.0115 5085.851       244.9002 238.6654 8.710659 243.2791 5.894982 -4.613663      10.51791 
1 1 1 6   9  19 o 139.4093 4.347112 1666.136       103.4891 1709.544       180.2087 1644.776       126.4122 140.4509 7.541209 138.3693 5.349920 2.081604       9.246161 
1 1 1 6   9  20 o 191.5641 4.488153 3150.309       146.8195 3114.478       261.7300 3166.762       177.3516 189.3225 8.095607 191.8280 5.414036 -2.505493      9.739129 
1 1 1 6   9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   9  22 o 42.73188 7.462055 163.6607       52.47039 39.57304       101.4445 208.9828       61.30829 30.37359 12.38897 48.36006 7.680652 -17.98647      14.57666 
1 1 1 6   9  23 o 80.72932 4.925546 564.8606       67.57793 527.4976       121.2500 581.6965       81.39154 76.48255 9.487339 81.67487 5.874890 -5.192322      11.15903 
1 1 1 6   9  24 o 126.1608 4.449353 1373.983       95.85683 1184.442       162.8002 1474.564       118.5938 115.3116 8.323553 130.3896 5.326199 -15.07800      9.881798 
1 1 1 6   9  25 o 94.73624 5.018006 781.5921       80.89070 881.6328       148.5520 739.4265       96.44279 98.62677 8.916696 91.66786 6.197399 6.958908       10.85888 
1 1 1 6   9  26 o 94.83310 4.806414 783.8137       77.58212 732.7523       134.0374 809.5388       95.13878 89.52547 8.884883 95.92341 5.835799 -6.397942      10.63004 
1 1 1 6   9  27 o 42.03848 8.476179 165.5384       58.74769 289.2893       123.0094 128.9717       66.86630 52.99764 13.54181 36.54763 10.28171 16.45001       17.00277 
1 1 1 6   10 0  o 154.0247 3.455191 2026.723       90.87913 1821.230       132.4498 2209.530       124.9251 145.9521 5.314212 160.7882 4.549811 -14.83615      6.995830 
1 1 1 6   10 1  o 92.06904 3.787760 724.2749       59.55223 734.3618       97.54459 718.2813       75.19162 92.44548 6.215077 91.54025 4.827180 0.9052353      7.869489 
1 1 1 6   10 2  o 386.8501 5.449039 12797.56       359.9685 13064.24       612.8712 12657.11       444.7710 390.3045 9.195253 384.5600 6.772833 5.744537       11.42033 
1 1 1 6   10 3  o 348.9592 5.661102 10415.99       337.3475 10737.25       583.9544 10255.07       413.2881 353.6926 9.668320 346.0900 6.992975 7.602631       11.93223 
1 1 1 6   10 4  o 249.0385 4.688070 5302.551       199.3712 5496.657       343.0870 5203.583       244.9804 253.2410 7.933564 246.6147 5.817153 6.626297       9.837718 
1 1 1 6   10 5  o 425.1989 7.796853 15499.35       566.1263 15348.86       800.5378 15649.91       800.7094 422.2543 11.10212 426.4083 10.99632 -4.154022      15.62613 
1 1 1 6   10 6  o 328.9902 5.303954 9260.760       297.9783 9218.174       515.7322 9282.101       365.0824 327.5414 9.220535 329.1974 6.494305 -1.655945      11.27804 
1 1 1 6   10 7  o 281.9969 4.806186 6803.032       231.4445 7096.428       406.5371 6662.339       281.5198 287.4658 8.281560 278.9272 5.910388 8.538544       10.17433 
1 1 1 6   10 8  o 170.9426 3.913111 2498.633       114.2284 2672.384       196.4606 2409.896       140.3996 176.5593 6.516026 167.8106 4.899420 8.748749       8.152479 
1 1 1 6   10 9  o 54.12630 5.097370 253.0361       46.55974 314.8860       75.87167 215.6747       58.96871 60.08208 7.562457 49.62103 7.166817 10.46104       10.41893 
1 1 1 6   10 10 o 55.65009 4.442793 266.7070       41.86862 237.4355       87.86148 275.3069       47.62353 51.52431 10.34523 56.48425 4.988601 -4.959942      11.48521 
1 1 1 6   10 11 o 150.0415 3.150518 1924.603       80.72261 1781.924       146.1519 1987.234       96.83240 144.1416 5.937633 152.4255 3.720156 -8.283890      7.006786 
1 1 1 6   10 12 o 197.3512 4.144968 3333.354       139.6892 3432.620       245.0194 3285.553       170.0282 199.7949 7.181484 195.8139 5.084817 3.980972       8.799379 
1 1 1 6   10 13 o 139.0247 3.728480 1653.703       88.51679 1748.872       157.0225 1609.373       107.1676 142.6752 6.444830 137.0765 4.578242 5.598755       7.905450 
1 1 1 6   10 14 o 18.30298 7.036178 19.12587       30.94381 2.928366       82.15052 21.80398       33.40414 25.48363 10.82621 19.19025 7.326315 6.293383       13.07217 
1 1 1 6   10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   10 16 o 149.5444 6.635650 1923.934       169.4555 0.000000       0.000000 1923.934       169.4555 ?        ?        149.5444 6.635650 0.000000       6.635650 
1 1 1 6   10 17 o 154.4311 4.105600 2042.730       108.2713 2131.226       190.7792 2000.685       131.4996 157.2479 7.104675 152.7113 5.042561 4.536530       8.712280 
1 1 1 6   10 18 o 66.97135 5.237681 387.5416       59.42346 116.1701       118.6579 478.3838       68.65279 38.87415 13.99750 74.41857 5.439948 -35.54442      15.01742 
1 1 1 6   10 19 o 58.79144 5.806798 300.6177       57.53605 375.4090       110.0756 272.5026       67.48944 64.65444 10.31668 55.64623 7.276578 9.008209       12.62468 
1 1 1 6   10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   10 21 o 121.6709 4.238207 1272.873       88.05843 1311.749       157.0745 1255.054       106.3410 122.3728 7.553480 120.6129 5.163036 1.759956       9.149426 
1 1 1 6   10 22 o 102.1298 4.384919 898.5578       76.47442 873.7148       137.8259 909.6085       91.92277 99.30907 8.200541 102.4234 5.273495 -3.114311      9.749801 
1 1 1 6   10 23 o 41.08122 8.085384 153.9051       54.70157 189.0945       119.2237 144.5221       61.56398 44.51925 14.03692 39.48475 9.286267 5.034500       16.83062 
1 1 1 6   10 24 o 61.31164 5.948090 331.3141       61.49275 356.3952       110.2489 319.9877       74.08762 61.52276 10.89253 59.73319 7.423275 1.789570       13.18151 
1 1 1 6   10 25 o 20.42842 8.657178 7.023176       52.31902 70.06496       94.23347 -21.06934      62.90516 31.30777 12.21074 19.92123 8.932265 11.38654       15.12903 
1 1 1 6   10 26 o 52.84416 7.166113 253.0008       62.99891 289.0734       126.7274 241.1599       72.60608 52.91882 13.85913 50.92484 8.659124 1.993973       16.34184 
1 1 1 6   10 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   11 0  o 180.2834 3.507172 2777.402       107.9729 2600.967       156.4244 2937.967       149.2235 174.3745 5.253147 185.3602 4.714317 -10.98570      7.058352 
1 1 1 6   11 1  o 195.9467 3.958978 3281.841       132.4716 3397.292       221.1104 3217.197       165.4532 199.1809 6.500692 193.9452 4.995677 5.235718       8.198523 
1 1 1 6   11 2  o 188.9415 5.096460 3053.845       164.4364 3190.837       228.5033 2906.705       236.8158 192.9780 6.933981 184.1280 7.531626 8.849991       10.23746 
1 1 1 6   11 3  o 240.4205 7.379601 4956.308       302.9747 6142.113       1090.436 4857.106       315.3932 261.0314 24.75896 237.9488 7.761880 23.08260       25.94711 
1 1 1 6   11 4  o 89.04055 4.123835 677.9103       62.70339 718.5376       107.5249 656.9749       77.18641 91.28788 6.949745 87.46518 5.191015 3.822701       8.674421 
1 1 1 6   11 5  o 205.3921 4.404700 3608.406       154.4905 3937.673       266.7310 3442.182       189.5157 214.2260 7.291208 200.5019 5.535092 13.72411       9.154177 
1 1 1 6   11 6  o 234.4858 4.588410 4704.624       183.7303 4759.878       312.7916 4675.518       227.0223 235.3920 7.781468 233.6264 5.690425 1.765625       9.640134 
1 1 1 6   11 7  o 150.0399 3.870131 1925.277       99.15951 1781.336       166.6752 2004.134       123.3665 144.0802 6.774304 153.0210 4.721112 -8.940750      8.257124 
1 1 1 6   11 8  o 180.2360 3.924212 2778.670       120.7802 2852.001       211.6884 2743.276       147.0673 182.2706 6.801090 179.0034 4.811194 3.267181       8.330812 
1 1 1 6   11 9  o 131.1060 3.839133 1470.374       85.95237 1451.229       151.8831 1479.393       104.2521 129.8042 6.876542 131.4508 4.644296 -1.646606      8.297971 
1 1 1 6   11 10 o 133.4966 4.208135 1525.349       95.93158 1475.408       169.3495 1548.947       116.4103 130.7144 7.619841 134.4514 5.070188 -3.737061      9.152529 
1 1 1 6   11 11 o 42.64499 5.232441 158.2216       37.30492 149.9835       74.58060 160.9705       43.08163 40.81959 10.60375 42.88782 6.050516 -2.068233      12.20853 
1 1 1 6   11 12 o 96.26781 3.303952 792.6496       54.31461 879.4104       108.1585 763.3920       62.80849 100.9779 6.303897 94.44283 3.894462 6.535042       7.409855 
1 1 1 6   11 13 o 183.0464 10.74702 2925.447       334.4585 2878.832       687.5121 2939.899       382.8098 174.4943 23.68468 182.8665 12.33077 -8.372131      26.70229 
1 1 1 6   11 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   11 15 o 140.5819 4.033254 1692.349       96.82484 1855.425       178.1622 1623.996       115.3456 146.7523 7.109331 137.6178 4.908229 9.134552       8.639056 
1 1 1 6   11 16 o 26.88873 7.459166 64.24352       35.45185 168.4264       77.71037 36.86195       39.83914 43.11169 10.62411 22.51945 8.110462 20.59224       13.36605 
1 1 1 6   11 17 f 35.00380 7.861453 110.1899       45.84258 382.7206       101.6943 40.68482       51.35669 65.69176 9.327285 24.58514 9.149271 41.10662       13.06550 
1 1 1 6   11 18 o 101.2721 4.563525 880.7947       78.92090 774.2124       142.9178 927.5545       94.66298 93.75415 9.038738 103.6755 5.365272 -9.921364      10.51118 
1 1 1 6   11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   11 20 o 46.25473 7.143497 190.4350       54.60696 57.51233       123.9646 222.4378       60.82643 33.99135 13.75778 50.01463 7.340268 -16.02328      15.59346 
1 1 1 6   11 21 o 44.07774 6.488397 172.5328       47.37692 276.6836       100.4281 142.7194       53.73162 54.48916 11.16823 39.57969 8.218610 14.90947       13.86632 
1 1 1 6   11 22 o 72.17557 4.958821 452.7416       60.74741 373.0107       116.5440 482.4847       71.18196 63.21862 11.20576 74.32867 5.650354 -11.11005      12.54972 
1 1 1 6   11 23 f 70.01431 5.641151 429.8498       66.87386 375.9548       133.9940 447.7269       77.17207 62.07551 13.05443 71.19406 6.416625 -9.118549      14.54618 
1 1 1 6   11 24 o 82.04765 5.187493 588.9217       72.30760 690.4689       141.0611 552.7299       84.21288 86.39562 9.730640 79.03027 6.292100 7.365349       11.58775 
1 1 1 6   11 25 o 47.36840 7.118458 203.6944       55.79990 27.46026       105.0374 272.9850       65.86217 28.81773 12.24216 54.93314 7.193892 -26.11541      14.19939 
1 1 1 6   11 26 o 19.33555 8.373075 -0.3463325     50.93690 -5.079640      96.45300 1.484283       59.98351 25.50383 11.26937 21.00880 9.091960 4.495033       14.47973 
1 1 1 6   12 0  o 223.2111 3.834071 4259.986       146.1430 4331.978       213.7673 4196.811       200.2491 224.9162 5.565685 221.4101 5.296284 3.506134       7.682933 
1 1 1 6   12 1  o 180.9135 3.958640 2798.858       122.2979 2740.215       152.9287 2902.900       203.6964 178.9259 5.005111 184.0079 6.482534 -5.082001      8.189896 
1 1 1 6   12 2  o 102.9585 5.593670 910.6505       97.97789 869.3540       238.9438 918.9974       107.4242 98.84435 14.59509 103.3699 6.112819 -4.525513      15.82350 
1 1 1 6   12 3  o 90.99512 4.674113 710.4940       72.38537 812.3458       127.3630 661.8979       87.97504 96.92304 7.760177 87.68513 5.909788 9.237915       9.754278 
1 1 1 6   12 4  o 213.2681 4.245584 3891.356       154.6198 3806.092       267.9846 3933.905       189.3080 210.4764 7.455976 214.3261 5.172399 -3.849686      9.074430 
1 1 1 6   12 5  o 151.3538 3.694089 1959.099       95.47784 2003.515       164.2369 1936.425       117.3438 152.8268 6.293171 150.4115 4.568536 2.415237       7.776601 
1 1 1 6   12 6  o 98.91143 4.024508 837.0193       67.97688 697.4372       121.4184 900.7433       82.03925 89.67426 8.013345 102.5711 4.683760 -12.89688      9.281773 
1 1 1 6   12 7  o 53.56475 4.733281 247.6154       42.85002 290.4077       85.64851 233.3284       49.48887 57.33242 9.048315 51.85758 5.681469 5.474846       10.68415 
1 1 1 6   12 8  f 93.32323 4.012229 745.3130       63.94072 745.6968       116.0893 745.1458       76.60831 92.80915 7.385985 93.14106 4.833124 -0.3319092     8.826770 
1 1 1 6   12 9  o 138.1765 3.754893 1633.666       88.60001 1727.386       156.6616 1589.594       107.4312 141.7887 6.470218 136.2259 4.618161 5.562881       7.949285 
1 1 1 6   12 10 o 244.4054 4.348155 5115.602       181.4754 5119.354       318.6915 5113.800       220.7639 243.7290 7.657046 244.1859 5.294264 -0.4568634     9.309113 
1 1 1 6   12 11 o 61.77446 4.051508 328.1167       42.50257 489.0317       84.30573 273.2801       49.21459 75.11640 6.640757 56.21199 5.185453 18.90441       8.425471 
1 1 1 6   12 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   12 14 o 88.21137 3.631660 666.0433       54.70560 669.2438       114.3214 665.0928       62.30179 87.71500 7.710542 88.11557 4.140435 -0.4005737     8.751895 
1 1 1 6   12 15 o 128.4101 3.696948 1411.825       81.06706 1000.129       164.6383 1543.588       93.14071 106.9607 9.100215 134.2297 4.063394 -27.26902      9.966197 
1 1 1 6   12 16 o 42.14228 6.407534 156.5303       44.65908 -19.88763      104.3390 196.0991       49.41422 26.95605 11.82267 47.29629 6.272959 -20.34024      13.38378 
1 1 1 6   12 17 o 162.1472 4.311293 2257.446       119.3765 2035.801       210.3730 2362.712       144.9788 152.7089 8.096137 165.6943 5.123832 -12.98544      9.581288 
1 1 1 6   12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   12 19 o 82.17356 4.971260 584.4556       69.43070 523.1065       142.1881 603.6635       79.56080 75.59248 11.36678 83.36279 5.621716 -7.770302      12.68099 
1 1 1 6   12 20 o 70.26253 4.813425 428.1347       57.40564 449.6775       113.4325 420.7176       66.55820 70.43670 9.686909 69.44329 5.661953 0.9934082      11.22025 
1 1 1 6   12 21 o 46.44650 6.198224 191.1894       47.93436 56.98866       103.0183 228.2731       54.15374 31.52684 12.61823 50.76503 6.388337 -19.23819      14.14322 
1 1 1 6   12 22 f 13.45119 6.360232 -42.85722      38.57243 14.68891       90.80833 -55.52591      42.60723 26.71471 11.36656 13.61437 6.507086 13.10034       13.09736 
1 1 1 6   12 23 f 76.08107 4.998724 505.8820       64.58238 582.3849       119.7043 474.4706       76.70342 79.73521 8.945674 73.22072 6.192550 6.514496       10.87992 
1 1 1 6   12 24 o 28.95328 9.166797 76.75067       50.80518 6.083347       120.4097 92.05646       56.03766 29.04160 12.71988 31.37789 9.579941 -2.336294      15.92390 
1 1 1 6   12 25 o 24.63284 9.161798 46.90162       51.48297 155.6095       121.4246 23.07633       56.84541 39.57694 14.16932 22.54521 9.243850 17.03174       16.91799 
1 1 1 6   13 0  o 162.3189 5.826965 2259.049       161.5152 2279.969       397.5387 2254.912       176.7618 160.6843 14.64884 162.1023 6.385534 -1.418045      15.98009 
1 1 1 6   13 1  o 248.7142 4.039049 5292.484       171.5464 5124.297       249.7545 5442.699       236.0332 244.4329 5.983450 252.0023 5.484872 -7.569427      8.116988 
1 1 1 6   13 2  o 313.8344 5.126415 8437.972       274.7364 8140.824       460.6268 8602.048       342.2835 307.2606 8.778905 316.5910 6.331191 -9.330414      10.82373 
1 1 1 6   13 3  o 128.7209 3.771218 1417.416       82.89584 1322.029       135.3214 1474.711       104.8777 123.9278 6.416325 131.2294 4.680046 -7.301552      7.941791 
1 1 1 6   13 4  o 152.6486 3.857640 1993.707       100.5580 1906.879       176.6023 2035.365       122.3246 148.9413 6.943512 154.1629 4.646566 -5.221603      8.354815 
1 1 1 6   13 5  o 234.4208 4.428432 4705.372       177.2752 4643.758       305.9693 4736.506       217.5020 232.2135 7.715933 235.0298 5.419239 -2.816284      9.428880 
1 1 1 6   13 6  o 73.87012 4.302596 468.8021       54.04016 416.4012       97.16566 492.2697       65.02466 68.96816 8.425331 75.61537 5.065051 -6.647209      9.830613 
1 1 1 6   13 7  o 115.0647 3.785190 1133.011       74.37578 1169.831       127.2681 1113.913       91.65628 116.4998 6.422046 114.0207 4.707350 2.479027       7.962526 
1 1 1 6   13 8  o 26.89733 7.496324 64.13886       35.71871 150.1738       65.99594 28.49650       42.47791 40.82576 9.623506 21.71847 8.268762 19.10729       12.68796 
1 1 1 6   13 9  o 56.91014 18.48715 287.6863       205.6550 182.1884       421.4802 320.6518       235.6052 61.07955 25.12177 60.05547 19.80121 1.024082       31.98736 
1 1 1 6   13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   13 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   13 12 o 115.8237 3.469707 1148.029       68.62654 1307.681       141.0629 1098.526       78.54857 123.0495 6.738839 113.2515 4.061555 9.798019       7.868175 
1 1 1 6   13 13 o 161.4204 3.587111 2230.496       98.87925 2097.474       196.4125 2275.654       114.4385 155.8899 7.378177 162.9807 4.111820 -7.090820      8.446570 
1 1 1 6   13 14 o 91.53513 4.352018 718.5280       68.02686 891.5576       132.6301 656.7587       79.24434 101.2054 7.732783 87.25547 5.344061 13.94992       9.399730 
1 1 1 6   13 15 o 105.4846 3.730426 953.7026       67.19694 1110.353       144.9406 910.8135       75.84000 112.9091 7.560940 103.0194 4.310991 9.889641       8.703589 
1 1 1 6   13 16 o 94.02187 3.779869 758.3887       60.68866 790.4058       133.7877 750.0936       68.09803 94.77781 8.351580 93.44550 4.267507 1.332314       9.378726 
1 1 1 6   13 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   13 18 o 109.2422 3.808410 1025.438       71.04545 1161.874       146.9397 983.8120       81.16290 115.0047 7.523535 106.8792 4.446951 8.125443       8.739505 
1 1 1 6   13 19 o 98.03988 3.883429 826.9629       65.01597 894.5690       135.1265 806.5970       74.16505 100.4812 7.939741 96.70136 4.491224 3.779823       9.121984 
1 1 1 6   13 20 o 130.0974 3.573229 1455.827       79.38370 1811.584       162.3440 1344.033       91.00582 143.8524 6.608720 124.8065 4.270021 19.04586       7.868180 
1 1 1 6   13 21 o 63.09978 4.802486 347.2763       51.35978 345.5523       112.4582 347.7307       57.73225 60.22648 11.35092 62.96115 5.422520 -2.734673      12.57963 
1 1 1 6   13 22 o 46.74181 6.391092 195.7961       49.67663 60.86998       105.0578 234.6515       56.37751 31.40291 12.68096 51.16148 6.607384 -19.75856      14.29910 
1 1 1 6   13 23 o 28.53539 8.324396 75.52254       43.07194 154.0478       99.40831 57.37346       47.79092 39.54648 12.85353 25.86487 8.918749 13.68161       15.64473 
1 1 1 6   13 24 o 12.93518 6.292732 -73.54247      44.32566 -57.46948      94.56930 -78.06769      50.17895 22.35704 10.37004 13.96427 6.770640 8.392767       12.38464 
1 1 1 6   14 0  o 201.5615 3.715956 3476.196       127.9028 3406.702       188.0044 3536.072       174.5120 199.2823 5.524557 203.1115 5.031398 -3.829224      7.472329 
1 1 1 6   14 1  o 67.65116 4.578483 393.8269       52.58166 313.1570       84.43782 444.9249       67.20219 59.64100 8.533972 71.80700 5.522780 -12.16600      10.16513 
1 1 1 6   14 2  o 132.9777 3.627527 1512.985       82.37425 1578.592       128.2777 1466.946       107.4577 135.6426 5.538002 130.8357 4.809602 4.806854       7.334967 
1 1 1 6   14 3  o 138.2859 3.983438 1636.953       94.06712 1698.842       160.5390 1604.595       116.0820 140.5501 6.688787 136.8154 4.968531 3.734741       8.332237 
1 1 1 6   14 4  o 91.74041 4.029807 720.5447       63.13161 867.1908       118.3237 662.1845       74.64406 100.1415 6.962494 87.74214 5.002509 12.39934       8.573297 
1 1 1 6   14 5  o 88.20600 3.890840 666.0194       58.60618 655.1389       100.3965 671.6435       72.18083 86.99169 6.812761 88.38944 4.800109 -1.397751      8.333952 
1 1 1 6   14 6  o 120.1497 13.36155 1285.088       269.5025 1276.354       451.7932 1289.912       335.7868 115.0252 23.78624 118.9204 17.02049 -3.895233      29.24863 
1 1 1 6   14 7  o 58.46743 22.86626 227.7125       331.1507 351.9199       398.7412 -48.38013      594.4903 66.96135 25.37217 62.45206 27.76753 4.509289       37.61360 
1 1 1 6   14 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   14 9  o 203.0352 4.409211 3532.301       152.8742 3494.665       266.5889 3550.740       186.6040 201.2039 7.758965 203.3896 5.372670 -2.185745      9.437538 
1 1 1 6   14 10 o 267.3782 5.034699 6134.260       229.8801 6438.307       402.1528 5986.693       280.1653 272.6262 8.638167 263.8021 6.219195 8.824066       10.64407 
1 1 1 6   14 11 o 207.0741 4.456457 3676.023       157.5859 3760.952       274.8257 3634.421       192.3483 208.6142 7.714564 205.6876 5.476189 2.926666       9.460610 
1 1 1 6   14 12 o 239.8907 4.092836 4932.683       167.6640 5208.665       333.0466 4838.996       194.0468 245.1959 7.954077 237.4329 4.785900 7.763062       9.282897 
1 1 1 6   14 13 o 82.44411 4.297813 584.8161       60.29796 503.2418       124.4341 609.8492       68.93178 75.17561 9.936573 84.11379 4.819067 -8.938179      11.04350 
1 1 1 6   14 14 o 38.93193 7.090675 135.4237       45.40384 234.9343       122.3689 119.5368       48.89407 50.10534 13.84265 36.34724 8.086091 13.75810       16.03133 
1 1 1 6   14 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   14 16 o 34.37048 6.406078 105.7334       36.21599 72.11047       100.5029 110.7508       38.82428 32.91619 12.67362 35.13006 6.716569 -2.213867      14.34339 
1 1 1 6   14 17 o 86.02550 3.766668 636.1569       55.33329 850.0654       124.4077 583.4052       61.78053 98.21391 7.473840 82.16201 4.419549 16.05190       8.682782 
1 1 1 6   14 18 o 63.31392 4.886069 348.6546       52.41897 299.4136       109.6781 363.2321       59.67582 56.25391 11.79426 64.48492 5.470850 -8.231018      13.00134 
1 1 1 6   14 19 o 40.80117 11.10242 158.2842       79.41854 176.4393       101.6149 129.7869       127.3089 42.79471 12.86368 39.00123 14.42668 3.793480       19.32882 
1 1 1 6   14 20 o 111.2643 5.972554 1087.719       113.0648 1155.922       151.1931 1001.187       170.3027 113.5669 7.844199 104.3923 9.662850 9.174637       12.44597 
1 1 1 6   14 21 f 51.33816 9.935178 249.8033       83.95139 192.7402       107.6220 338.4915       134.1703 43.81765 13.25361 57.62227 13.81449 -13.80462      19.14415 
1 1 1 6   14 22 o 29.63157 11.28011 68.28291       79.04532 68.72646       99.35730 67.51813       130.4665 31.27120 12.43259 33.51448 13.89867 -2.243280      18.64785 
1 1 1 6   14 23 o 27.52179 11.07817 47.46185       79.90102 47.81733       100.0271 46.83514       132.8131 29.41726 12.18220 32.04308 13.69266 -2.625818      18.32743 
1 1 1 6   15 0  o 29.82076 11.54066 51.29139       83.67018 66.26674       94.96119 -0.6876028     176.9178 32.44870 12.36103 36.53914 15.71357 -4.090446      19.99278 
1 1 1 6   15 1  o 75.79012 10.26744 508.3617       129.4644 382.6042       155.4931 792.5466       233.7462 64.53149 14.46776 93.36024 15.18334 -28.82876      20.97260 
1 1 1 6   15 2  o 156.2773 10.23436 2133.783       271.6145 1920.307       360.2212 2415.092       413.5109 146.4999 14.59313 164.2839 14.90190 -17.78395      20.85728 
1 1 1 6   15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   15 6  o 189.9379 4.311071 3091.133       139.8295 3199.101       248.1262 3040.888       169.2672 192.5323 7.546872 188.2259 5.266129 4.306458       9.202576 
1 1 1 6   15 7  o 140.6492 4.075412 1694.627       97.88380 1636.692       176.0668 1720.544       117.7595 137.4823 7.528039 141.6214 4.869286 -4.139084      8.965563 
1 1 1 6   15 8  o 177.3489 4.184943 2695.105       126.7418 2924.564       222.1844 2584.425       154.3106 184.1397 7.065846 173.5000 5.208281 10.63971       8.777947 
1 1 1 6   15 9  o 94.08380 4.056371 758.5340       65.17101 692.8957       117.6394 787.5988       78.28130 89.15984 7.805088 95.80157 4.785017 -6.641731      9.155095 
1 1 1 6   15 10 o 41.98698 6.037864 154.9054       42.04591 41.08973       81.96622 195.5489       48.98123 28.53644 11.30897 47.23455 6.224086 -18.69811      12.90861 
1 1 1 6   15 11 f 87.24895 5.221751 657.3090       77.44231 708.2079       127.1757 627.3123       97.63072 89.80954 8.389556 84.89734 6.791116 4.912201       10.79370 
1 1 1 6   15 12 o 43.84162 7.970762 172.4603       57.47623 227.0488       102.1180 147.1488       69.53625 49.42576 12.17800 40.07416 10.15008 9.351601       15.85332 
1 1 1 6   15 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   15 14 o 36.06720 7.398457 117.5172       44.03895 129.3808       100.8931 114.7249       48.94803 38.43539 12.96425 35.47985 8.237166 2.955544       15.35977 
1 1 1 6   15 15 o 48.24968 5.220703 203.5727       42.32961 166.7689       102.7515 211.0954       46.45472 42.26873 12.98384 49.04692 5.649734 -6.778183      14.15979 
1 1 1 6   15 16 o 120.5952 4.033057 1252.405       83.05508 1307.763       151.1603 1228.465       99.40450 121.8584 7.297657 119.2008 4.883431 2.657677       8.780871 
1 1 1 6   15 17 o 149.5626 5.711558 1946.831       145.8745 1780.131       204.4916 2119.553       208.1526 141.1619 8.523104 154.5360 7.914256 -13.37410      11.63094 
1 1 1 6   15 18 o 131.0928 5.882762 1502.436       131.6929 1366.438       183.6959 1646.244       188.8966 122.9883 8.804733 135.5268 8.200619 -12.53848      12.03218 
1 1 1 6   15 19 o 112.0106 5.957224 1104.248       113.5379 1073.912       151.3506 1143.290       171.7018 109.0266 8.189063 111.8262 9.069574 -2.799667      12.21957 
1 1 1 6   15 20 o 86.51590 6.775499 667.8431       99.30130 692.7458       130.4290 633.5038       153.1604 86.78687 8.928066 81.23656 11.35063 5.550308       14.44117 
1 1 1 6   15 21 f 21.74602 9.779561 -22.24258      76.02098 -15.33977      95.14942 -34.42643      126.4112 24.75721 11.05115 27.28539 12.40638 -2.528177      16.61464 
1 1 1 6   16 0  o 114.7887 4.457619 1129.441       87.37839 1269.701       154.0533 1062.917       106.0954 121.0553 7.488991 111.0916 5.610756 9.963760       9.357648 
1 1 1 6   16 1  o 192.5295 4.705922 3178.901       154.7191 3319.150       201.0852 2975.396       242.2244 196.4626 5.993745 185.5991 7.642580 10.86349       9.712570 
1 1 1 6   16 2  o 79.73973 8.046743 555.3901       108.0728 785.1382       319.4709 525.7006       114.8437 90.30090 21.09788 77.37347 8.851117 12.92742       22.87931 
1 1 1 6   16 3  o 136.6209 4.374018 1599.978       102.0469 1313.161       182.6216 1730.195       123.0503 122.7482 8.770095 141.9753 5.075374 -19.22705      10.13282 
1 1 1 6   16 4  o 115.4543 4.420604 1142.785       87.15527 1045.246       159.6686 1184.181       104.0185 109.4741 8.610443 117.4368 5.186862 -7.962700      10.05203 
1 1 1 6   16 5  o 131.1205 4.292387 1473.850       96.11066 1426.838       177.1131 1493.472       114.4232 128.1026 8.138610 131.8848 5.080628 -3.782211      9.594256 
1 1 1 6   16 6  o 159.9101 4.284338 2192.787       116.9935 2238.369       212.8543 2173.055       140.0447 160.7789 7.752675 159.0356 5.156683 1.743271       9.311033 
1 1 1 6   16 7  o 28.17005 8.810052 68.65195       47.06845 18.46179       92.13475 86.37658       54.75235 27.91469 11.63662 31.30170 9.450077 -3.387005      14.99049 
1 1 1 6   16 8  o 156.7691 4.086462 2108.429       109.3981 2329.904       198.0487 2011.179       131.2369 164.0229 7.070754 152.9251 5.025455 11.09778       8.674719 
1 1 1 6   16 9  o 35.91821 9.675893 117.3347       60.68010 -31.01161      91.45791 233.9872       81.10168 24.31257 10.84498 50.80163 9.702518 -26.48906      14.55171 
1 1 1 6   16 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   16 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   16 12 o 134.7675 4.458122 1564.001       102.5981 1386.777       173.0302 1660.097       127.4130 125.4374 8.121386 138.5771 5.384188 -13.13969      9.744043 
1 1 1 6   16 13 o 81.27821 4.469583 571.1635       61.79753 656.4186       121.5808 541.4650       71.75832 85.86297 8.399537 78.91483 5.356624 6.948143       9.962211 
1 1 1 6   16 14 o 135.1381 3.611515 1570.172       83.34298 1779.933       171.0178 1504.838       95.44382 142.5128 7.027253 132.1266 4.230150 10.38623       8.202222 
1 1 1 6   16 15 o 92.57671 3.791756 737.9813       59.94377 726.3633       145.6803 740.3492       65.76956 89.34851 9.703997 92.64640 4.157138 -3.297890      10.55696 
1 1 1 6   16 16 o 29.93023 7.704593 82.51397       39.61207 227.9686       96.48695 53.02857       43.44186 48.55574 11.76108 25.04252 8.506598 23.51322       14.51500 
1 1 1 6   16 17 o 50.99625 9.909482 245.4909       83.18684 322.4048       107.0137 128.0454       132.2376 57.92081 11.22470 38.48901 14.60472 19.43180       18.41987 
1 1 1 6   16 18 o 68.25826 7.900658 423.5200       90.38938 435.0079       117.4342 406.8207       141.5868 67.70193 10.49749 63.44481 13.48405 4.257122       17.08850 
1 1 1 6   16 19 o 53.78827 10.64531 280.0401       94.31818 317.8828       129.1594 236.8042       138.0568 55.38715 13.72548 47.16848 15.12985 8.218666       20.42795 
1 1 1 6   16 20 o 62.51884 8.653529 364.8401       89.90884 302.8011       115.5128 460.1893       143.2043 54.30328 12.68571 67.08601 12.96955 -12.78273      18.14211 
1 1 1 6   17 0  o 127.7458 4.106910 1399.280       89.59090 1392.451       140.8343 1403.922       116.1150 126.8642 6.522882 127.7743 5.321606 -0.9101868     8.418283 
1 1 1 6   17 1  o 67.73107 5.055155 396.4307       58.04752 425.0654       97.51663 380.7164       72.24020 69.45163 8.392528 66.11028 6.482330 3.341347       10.60449 
1 1 1 6   17 2  o 92.60668 4.421043 736.0735       69.91478 899.9272       124.1440 659.9659       84.60800 101.7185 7.193388 87.35680 5.702986 14.36171       9.179808 
1 1 1 6   17 3  o 100.2372 4.582551 862.9727       78.44011 939.7754       146.4605 832.0823       92.88462 103.5813 8.351091 98.13624 5.565495 5.445061       10.03571 
1 1 1 6   17 4  o 92.51965 7.922494 749.7930       123.9620 0.000000       0.000000 749.7930       123.9620 ?        ?        92.51965 7.922494 0.000000       7.922494 
1 1 1 6   17 5  o 96.26864 4.354549 796.1788       71.58630 732.5398       130.3089 823.6863       85.67191 91.20598 8.463024 97.66512 5.155113 -6.459137      9.909489 
1 1 1 6   17 6  o 121.7689 4.206288 1273.929       87.46560 1156.376       156.2305 1327.594       105.5590 114.8211 8.018206 124.1530 4.978933 -9.331879      9.438293 
1 1 1 6   17 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   17 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   17 9  o 19.58063 8.771091 -23.72652      60.50047 16.04326       197.4889 -27.84546      63.55630 37.94728 16.45980 19.84409 8.931417 18.10319       18.72686 
1 1 1 6   17 10 o 91.31502 5.320678 723.8491       82.60860 783.1012       183.3431 708.7562       92.53358 92.10450 11.93768 90.13983 6.046499 1.964668       13.38164 
1 1 1 6   17 11 o 58.86469 5.765802 303.6370       57.21430 290.0426       105.4591 309.3073       68.10910 55.54746 11.49662 59.10384 6.876749 -3.556381      13.39634 
1 1 1 6   17 12 o 53.25217 6.456122 251.1325       57.50977 192.6698       121.7715 267.9157       65.24447 44.81581 14.19206 54.81711 7.139297 -10.00129      15.88660 
1 1 1 6   17 13 o 49.73450 6.364943 219.7067       52.81716 271.2297       102.8885 201.2711       61.54533 53.29976 11.63101 47.07214 7.938928 6.227619       14.08215 
1 1 1 6   17 14 o 89.99009 4.004634 699.2247       61.54027 905.2501       143.9356 653.1379       68.07629 100.1594 8.495495 86.69911 4.614723 13.46027       9.667942 
1 1 1 6   17 15 o 43.50989 5.231513 167.3351       38.09107 187.2425       101.4097 164.0651       41.10065 43.43808 12.80209 42.92684 5.751437 0.5112381      14.03469 
1 1 1 6   17 16 o 29.30736 11.09299 66.31380       76.16964 58.51490       96.32591 79.32773       124.4317 30.31826 12.17778 34.09417 13.78918 -3.775908      18.39673 
1 1 1 6   17 17 o 70.84750 8.368944 461.1714       99.29519 352.1155       136.8856 582.2827       144.2532 58.26140 13.94444 77.69799 11.19525 -19.43659      17.88243 
1 1 1 6   17 18 o 38.08847 11.49896 144.5572       81.06811 139.0790       102.7014 153.6133       132.0470 37.55112 13.06715 39.45873 14.67345 -1.907608      19.64842 
1 1 1 6   18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   18 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   18 5  o 46.68686 7.682689 195.5915       59.11945 287.1288       115.2739 162.9219       68.86590 55.11454 12.53143 42.00314 9.783185 13.11140       15.89804 
1 1 1 6   18 6  o 96.80533 8.552724 833.5538       139.9315 0.000000       0.000000 833.5538       139.9315 ?        ?        96.80533 8.552724 0.000000       8.552724 
1 1 1 6   18 7  f 35.07201 10.63490 112.5221       69.23116 107.2665       193.9969 113.2891       74.11100 41.92508 17.12014 35.30726 11.05698 6.617821       20.38029 
1 1 1 6   18 8  o 29.79238 10.94876 68.02405       73.12548 218.8250       194.7354 43.26903       78.89954 48.64530 17.86860 27.86728 11.07907 20.77802       21.02457 
1 1 1 6   18 9  o 41.26556 9.852950 159.1492       68.47276 -64.53394      198.0357 189.5215       72.97354 33.96349 15.47582 45.11861 9.755379 -11.15512      18.29394 
1 1 1 6   18 10 o 80.42848 5.349454 564.3918       73.05287 725.6069       176.9521 531.2697       80.20705 87.69177 12.14250 77.77650 6.087533 9.915276       13.58302 
1 1 1 6   18 11 f 54.10110 6.700619 261.0768       60.58025 397.3028       167.9606 240.7049       64.95224 62.00767 15.81288 51.60474 7.598003 10.40293       17.54357 
1 1 1 6   18 12 o 102.1512 4.844201 906.7725       84.50212 1233.797       223.0324 851.9604       91.30956 114.1278 11.60538 98.65189 5.441160 15.47588       12.81761 
1 1 1 6   18 13 o 125.4147 3.994887 1360.794       85.55691 2756.229       155.6420 756.5399       102.4192 177.7365 5.128002 92.29671 6.540562 85.43977       8.311158 
1 1 1 6   18 14 o 40.95317 6.127164 150.8475       41.53314 198.2073       100.5799 141.1118       45.60274 44.36415 12.65554 39.27126 7.059613 5.092899       14.49141 
1 1 1 6   18 15 o 17.07437 6.704881 16.34945       28.56694 240.7500       115.9595 1.850728       29.47537 48.16029 13.53681 15.20457 6.472690 32.95573       15.00470 
1 1 1 6   18 16 o 76.42733 7.325300 530.9230       94.43276 545.7285       122.9703 509.6425       147.4286 75.82123 9.721348 70.91570 12.63746 4.905525       15.94396 
1 1 1 6   19 0  o 90.30219 4.364558 703.1641       67.30394 604.5928       111.8505 759.1129       84.26701 82.41674 8.050100 93.46479 5.301509 -11.04805      9.638989 
1 1 1 6   19 1  o 41.50012 8.155119 157.0310       55.73274 219.8971       93.92554 122.8680       69.23934 48.17756 11.56354 36.40691 10.53535 11.77066       15.64318 
1 1 1 6   19 2  f 104.8183 4.200523 947.0559       75.18695 902.2523       121.9479 974.5317       95.49783 101.1955 7.101837 106.0392 5.273820 -4.843636      8.845861 
1 1 1 6   19 3  o 85.57620 5.018602 636.1490       73.01866 635.2517       129.6933 636.5655       88.35222 83.86479 9.207494 85.25644 6.109093 -1.391647      11.04984 
1 1 1 6   19 4  o 109.4626 4.490511 1034.998       83.93893 902.7674       139.0771 1110.763       105.2749 100.6113 8.165254 113.0900 5.451284 -12.47865      9.817732 
1 1 1 6   19 5  o 53.22355 10.89222 266.8333       95.66213 323.0655       159.7536 235.3980       119.4447 56.36447 15.90485 48.97396 13.72931 7.390507       21.01090 
1 1 1 6   19 6  o 76.75888 6.257291 518.5762       81.30574 374.7685       203.0971 546.0219       88.72576 59.27289 18.26195 78.61847 6.671797 -19.34558      19.44252 
1 1 1 6   19 7  o 74.84842 6.283792 494.1842       79.57353 385.3222       205.3056 513.4286       86.32092 59.60881 18.36023 76.13415 6.708025 -16.52533      19.54727 
1 1 1 6   19 8  o 40.12188 12.71714 155.1331       97.75918 0.000000       0.000000 155.1331       97.75918 ?        ?        40.12188 12.71714 0.000000       12.71714 
1 1 1 6   19 9  o 78.86481 6.091882 549.4834       81.40607 446.4241       213.2280 567.0679       88.07764 62.84459 18.57557 79.93662 6.508870 -17.09203      19.68292 
1 1 1 6   19 10 o 31.91096 9.838229 95.21354       58.93347 134.9477       201.6762 91.50380       61.62322 41.70660 17.28684 31.46206 10.11003 10.24454       20.02617 
1 1 1 6   19 11 o 56.30130 6.616418 284.5739       62.39960 421.1455       171.6461 263.7762       66.98255 62.30950 16.03729 53.81312 7.492327 8.496380       17.70112 
1 1 1 6   19 12 o 30.20931 8.851592 85.63599       48.60506 74.93513       167.2746 86.62280       50.79675 36.31384 15.43833 30.38725 9.086227 5.926592       17.91373 
1 1 1 6   19 13 o 38.27102 7.788157 136.8382       49.16730 342.0594       183.6887 121.0004       51.02927 54.06484 17.46365 35.70287 8.493300 18.36197       19.41946 
1 1 1 6   19 14 o 31.57242 7.608995 93.83714       40.54140 139.6134       140.3491 89.66981       42.34659 38.35698 14.91812 30.77736 7.987780 7.579617       16.92203 
1 1 1 6   20 0  o 34.55648 8.505088 111.1577       49.85001 61.69758       90.56947 132.6536       59.70797 30.41530 11.94016 37.57154 9.344956 -7.156240      15.16231 
1 1 1 6   20 1  o 107.4472 4.317372 998.9589       79.21663 999.3043       119.6571 998.6893       105.6959 106.3328 6.622625 106.7097 5.822326 -0.3768845     8.818086 
1 1 1 6   20 2  o 92.32932 4.604706 739.3067       72.60114 624.3992       112.2303 821.9952       95.20465 83.23886 7.993859 96.76331 5.788190 -13.52444      9.869393 
1 1 1 6   20 3  f 101.7224 4.622116 897.9678       80.28964 795.9129       131.8013 958.1858       101.2431 93.78516 8.315942 104.4998 5.694945 -10.71466      10.07905 
1 1 1 6   20 4  o 57.50221 7.420471 298.8699       71.16474 276.1758       115.8786 312.6122       90.17289 52.50699 12.99401 57.88932 9.447625 -5.382332      16.06555 
1 1 1 6   20 5  o 25.84456 9.418267 53.09055       53.94764 4.422078       87.15123 83.32375       68.68971 25.24105 10.94134 30.73122 10.68699 -5.490175      15.29459 
1 1 1 6   20 6  o 57.40187 8.303394 303.1901       79.02748 300.4070       102.3776 307.2935       124.3122 55.61058 11.16852 54.90238 13.38124 0.7081947      17.42968 
1 1 1 6   20 7  o 26.67990 10.05840 54.05080       62.46675 125.1750       108.6088 18.89231       76.36097 36.78395 13.36972 24.86050 10.49283 11.92345       16.99555 
1 1 1 6   20 8  o 69.74740 6.043550 432.3808       71.27022 428.5329       128.1035 434.1057       85.76965 66.03749 11.79241 69.24011 7.367099 -3.202621      13.90450 
1 1 1 6   20 9  o 31.13197 9.566214 91.47755       55.77238 97.52390       114.5896 89.60059       63.84484 34.47472 13.45983 31.07754 10.31065 3.397184       16.95514 
1 1 1 6   20 10 o 32.12333 10.95614 96.58601       72.06570 0.000000       0.000000 96.58601       72.06570 ?        ?        32.12333 10.95614 0.000000       10.95614 
1 1 1 6   20 11 o 34.39579 8.651478 113.4160       50.76820 70.94792       98.82076 128.6435       59.17414 30.93996 12.36729 36.37286 9.443582 -5.432892      15.56056 
1 1 1 6   21 0  o 24.04819 9.029179 43.13079       50.23502 53.92267       75.68856 34.63399       67.15977 27.84293 10.92008 25.06349 10.13264 2.779442       14.89693 
1 1 1 6   21 1  f 110.8831 4.232735 1067.949       80.14722 1072.664       118.0428 1063.917       109.1673 109.8252 6.320810 109.6890 5.849228 0.1361847      8.611976 
1 1 1 6   21 2  o 53.26460 7.221059 258.3287       63.98798 269.8875       98.57281 249.9108       84.12108 52.25526 11.36975 50.99312 10.01768 1.262142       15.15338 
1 1 1 6   21 3  o 73.22504 5.822114 475.7394       72.20069 523.4368       126.2487 452.5576       88.01434 74.07843 10.25512 70.59653 7.411355 3.481895       12.65289 
1 1 1 6   21 4  o 52.61120 7.454814 253.6104       65.10175 293.3557       100.1294 224.5053       85.68461 54.57772 11.12093 47.78450 10.75962 6.793224       15.47399 
1 1 1 6   21 5  o 19.66799 8.708054 -10.06739      57.87296 19.21232       106.5139 -22.33188      68.93623 28.00463 12.11757 20.58329 9.279405 7.421349       15.26247 
1 1 1 6   21 6  o 66.79346 5.788847 397.5441       65.37506 335.5798       110.4825 430.9294       81.09628 57.88152 11.58201 68.92212 6.986899 -11.04060      13.52626 
1 1 1 6   21 7  o 38.76136 11.47899 152.1999       81.36348 49.69983       97.59583 385.7862       147.3306 29.09577 12.03985 59.35251 14.62977 -30.25674      18.94699 
1 1 1 6   21 8  o 30.51146 11.56868 79.17358       82.93244 42.40955       114.8463 119.2337       119.8842 29.97660 12.76927 35.83886 13.82973 -5.862261      18.82327 
1 1 1 6   22 0  o 55.74507 6.386891 281.5406       59.70215 247.7420       101.2758 299.5416       73.91003 48.77250 12.19276 56.73188 7.838509 -7.959381      14.49502 
1 1 1 6   22 1  f 81.16354 5.218990 583.3090       71.95162 576.8851       111.6207 587.8759       94.11433 78.50356 8.459968 80.41246 6.921224 -1.908897      10.93043 
1 1 1 7   0  0  o 236.1494 8.785773 4791.138       353.1851 4791.138       353.1851 4791.138       353.1851 236.1494 8.785773 236.1494 8.785773 0.000000       0.000000 
1 1 1 7   0  1  o 495.6127 8.586704 21040.58       726.2344 21040.58       726.2344 21040.58       726.2344 495.6127 8.586704 495.6127 8.586704 0.000000       0.000000 
1 1 1 7   0  2  f 172.3121 5.563494 2545.712       163.3197 2545.712       163.3197 2545.712       163.3197 172.3121 5.563494 172.3121 5.563494 0.000000       0.000000 
1 1 1 7   0  3  o 103.1149 4.378784 913.3212       76.78779 913.3212       76.78779 913.3212       76.78779 103.1149 4.378784 103.1149 4.378784 0.000000       0.000000 
1 1 1 7   0  4  o 167.2549 4.368118 2394.677       124.5676 2394.677       124.5676 2394.677       124.5676 167.2549 4.368118 167.2549 4.368118 0.000000       0.000000 
1 1 1 7   0  5  o 23.15429 8.280781 60.52759       29.90277 60.52759       29.90277 60.52759       29.90277 23.15429 8.280781 23.15429 8.280781 0.000000       0.000000 
1 1 1 7   0  6  o 307.8756 6.546339 8109.879       343.8209 8109.879       343.8209 8109.879       343.8209 307.8756 6.546339 307.8756 6.546339 0.000000       0.000000 
1 1 1 7   0  7  o 76.80952 4.838449 509.8718       62.88610 509.8718       62.88610 509.8718       62.88610 76.80952 4.838449 76.80952 4.838449 0.000000       0.000000 
1 1 1 7   0  8  o 166.6938 4.963506 2379.661       141.0060 2379.661       141.0060 2379.661       141.0060 166.6938 4.963506 166.6938 4.963506 0.000000       0.000000 
1 1 1 7   0  9  f 136.0084 5.187945 1586.966       120.0953 1586.966       120.0953 1586.966       120.0953 136.0084 5.187945 136.0084 5.187945 0.000000       0.000000 
1 1 1 7   0  10 o 245.1832 5.818280 5144.318       243.2958 5144.318       243.2958 5144.318       243.2958 245.1832 5.818280 245.1832 5.818280 0.000000       0.000000 
1 1 1 7   0  11 o 181.2099 4.420038 2809.749       136.5922 2809.749       136.5922 2809.749       136.5922 181.2099 4.420038 181.2099 4.420038 0.000000       0.000000 
1 1 1 7   0  12 o 301.0483 5.933814 7753.508       304.7834 7753.508       304.7834 7753.508       304.7834 301.0483 5.933814 301.0483 5.933814 0.000000       0.000000 
1 1 1 7   0  13 o 134.5739 4.561967 1552.539       104.5640 1552.539       104.5640 1552.539       104.5640 134.5739 4.561967 134.5739 4.561967 0.000000       0.000000 
1 1 1 7   0  14 f 200.0899 5.039157 3427.989       171.9341 3427.989       171.9341 3427.989       171.9341 200.0899 5.039157 200.0899 5.039157 0.000000       0.000000 
1 1 1 7   0  15 o 209.6227 6.618127 3770.360       236.3708 3770.360       236.3708 3770.360       236.3708 209.6227 6.618127 209.6227 6.618127 0.000000       0.000000 
1 1 1 7   0  16 o 32.12473 14.28741 128.1142       82.95984 128.1142       82.95984 128.1142       82.95984 32.12473 14.28741 32.12473 14.28741 0.000000       0.000000 
1 1 1 7   0  17 o 145.4328 5.233895 1815.894       129.6020 1815.894       129.6020 1815.894       129.6020 145.4328 5.233895 145.4328 5.233895 0.000000       0.000000 
1 1 1 7   0  18 o 98.80127 5.382380 842.5104       90.19515 842.5104       90.19515 842.5104       90.19515 98.80127 5.382380 98.80127 5.382380 0.000000       0.000000 
1 1 1 7   0  19 o 39.98185 12.20320 170.8464       72.78381 170.8464       72.78381 170.8464       72.78381 39.98185 12.20320 39.98185 12.20320 0.000000       0.000000 
1 1 1 7   0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  21 o 63.68029 8.317141 365.4176       86.17484 365.4176       86.17484 365.4176       86.17484 63.68029 8.317141 63.68029 8.317141 0.000000       0.000000 
1 1 1 7   0  22 o 55.36412 9.712370 286.6324       83.37456 286.6324       83.37456 286.6324       83.37456 55.36412 9.712370 55.36412 9.712370 0.000000       0.000000 
1 1 1 7   0  23 o 56.85485 11.42034 310.7177       98.31152 310.7177       98.31152 310.7177       98.31152 56.85485 11.42034 56.85485 11.42034 0.000000       0.000000 
1 1 1 7   0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  25 o 117.5591 5.532409 1194.835       110.5033 1194.835       110.5033 1194.835       110.5033 117.5591 5.532409 117.5591 5.532409 0.000000       0.000000 
1 1 1 7   0  26 o 141.5051 5.425699 1729.085       130.6705 1729.085       130.6705 1729.085       130.6705 141.5051 5.425699 141.5051 5.425699 0.000000       0.000000 
1 1 1 7   0  27 o 17.46635 10.86204 19.92211       65.29708 19.92211       65.29708 19.92211       65.29708 17.46635 10.86204 17.46635 10.86204 0.000000       0.000000 
1 1 1 7   0  28 o 15.56033 10.26836 -10.74286      70.33597 -10.74286      70.33597 -10.74286      70.33597 15.56033 10.26836 15.56033 10.26836 0.000000       0.000000 
1 1 1 7   0  29 o 34.78754 15.85492 162.5688       102.2443 162.5688       102.2443 162.5688       102.2443 34.78754 15.85492 34.78754 15.85492 0.000000       0.000000 
1 1 1 7   0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   1  0  f 285.7687 5.321628 6983.898       259.6935 6928.132       366.8130 7039.939       367.7128 284.3944 7.553041 286.6851 7.511067 -2.290710      10.65197 
1 1 1 7   1  1  o 334.3193 6.032047 9565.628       344.3722 9674.242       579.7975 9506.426       428.0574 335.4995 10.12005 333.0659 7.526098 2.433502       12.61180 
1 1 1 7   1  2  o 376.4266 6.081507 12129.37       390.9250 12117.30       666.8191 12135.69       482.5473 375.3209 10.40407 376.2737 7.509901 -0.9527893     12.83134 
1 1 1 7   1  3  o 116.2874 2.858827 1155.228       56.77046 1138.793       80.74078 1171.297       79.83794 115.4250 4.096295 117.0638 3.993785 -1.638855      5.721010 
1 1 1 7   1  4  o 219.3213 3.495534 4109.801       130.9171 3885.648       185.1275 4334.036       185.1618 213.1777 5.085425 225.1582 4.815727 -11.98044      7.003769 
1 1 1 7   1  5  o 211.4638 3.394912 3819.869       122.5932 3762.927       173.4859 3876.663       173.2602 209.8306 4.841650 212.9814 4.763820 -3.150757      6.792316 
1 1 1 7   1  6  o 184.9780 3.416306 2922.629       107.9142 2835.791       152.7139 3009.241       152.5138 182.1731 4.908993 187.6660 4.759065 -5.492950      6.837171 
1 1 1 7   1  7  o 301.6980 4.386764 7775.961       226.0053 7605.137       319.5815 7946.867       319.6581 298.2806 6.274148 304.9157 6.139090 -6.635101      8.778005 
1 1 1 7   1  8  o 349.0740 4.980379 10411.58       296.8806 10023.92       424.4376 10782.94       415.4129 342.3763 7.259525 355.1318 6.849967 -12.75555      9.981120 
1 1 1 7   1  9  o 390.2084 5.583027 13013.06       372.0217 13149.50       526.2086 12876.72       526.0278 392.0651 7.859553 387.9698 7.939787 4.095306       11.17196 
1 1 1 7   1  10 o 220.2696 3.700477 4144.570       139.1920 3998.585       196.8858 4290.441       196.8087 216.3025 5.330290 224.0647 5.143621 -7.762238      7.407350 
1 1 1 7   1  11 o 389.9079 5.391132 12994.91       358.9583 13554.73       502.5158 12411.63       512.9318 398.0257 7.393272 380.8186 7.887503 17.20709       10.81079 
1 1 1 7   1  12 f 200.2456 3.434968 3425.598       117.4594 3449.699       166.2652 3401.585       165.9604 200.8942 4.846543 199.4872 4.871781 1.407028       6.871916 
1 1 1 7   1  13 o 252.4360 3.836051 5445.600       165.3627 5646.897       234.4692 5246.388       233.2520 256.9562 5.343488 247.6629 5.515215 9.293335       7.679223 
1 1 1 7   1  14 o 97.50415 4.343598 812.8546       72.32270 755.9462       92.29732 903.3788       116.4081 93.80168 5.790355 102.4779 6.688666 -8.676186      8.846833 
1 1 1 7   1  15 o 135.8069 4.361524 1577.464       101.1491 1720.145       177.6028 1508.967       123.0562 141.4004 7.380844 132.7633 5.427796 8.637100       9.161759 
1 1 1 7   1  16 o 203.0408 3.711479 3525.076       128.6863 3436.757       180.3810 3616.619       183.6428 200.3334 5.272728 205.5133 5.232774 -5.179871      7.428566 
1 1 1 7   1  17 o 144.4652 4.149980 1785.707       102.3791 1679.325       127.1989 1981.392       172.5163 140.0015 5.320455 151.9255 6.649629 -11.92403      8.516150 
1 1 1 7   1  18 o 158.9377 3.431224 2160.368       93.12746 2230.302       134.0086 2095.050       129.5108 161.3582 4.863397 156.3905 4.849463 4.967682       6.868036 
1 1 1 7   1  19 o 94.84585 3.783236 769.7440       61.27505 747.0376       87.03015 792.0641       86.28664 93.16505 5.494668 95.96883 5.285536 -2.803772      7.624190 
1 1 1 7   1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   1  21 o 43.86227 10.96232 174.1053       81.88205 150.7697       111.1591 201.7886       121.0724 41.89727 13.59063 47.39421 13.99399 -5.496937      19.50735 
1 1 1 7   1  22 o 150.8144 3.993035 1948.119       102.8366 1906.955       145.9150 1988.743       144.9556 148.9654 5.736047 152.1527 5.578962 -3.187378      8.001690 
1 1 1 7   1  23 o 138.9070 3.945169 1654.034       93.58184 1551.330       130.4028 1763.092       134.3760 134.2386 5.688631 143.1465 5.497170 -8.907898      7.910714 
1 1 1 7   1  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   1  25 o 155.7782 3.774961 2083.654       100.4202 1957.006       141.7777 2211.155       142.2546 150.4916 5.516885 160.0701 5.204203 -9.578568      7.584178 
1 1 1 7   1  26 o 151.7238 3.877051 1979.655       100.4517 2084.776       142.4602 1875.707       141.6634 155.1902 5.375607 147.1023 5.639444 8.087860       7.791051 
1 1 1 7   1  27 o 65.07282 5.293415 369.8115       58.31187 370.2085       83.14185 369.4271       81.80527 64.31670 7.724478 64.29478 7.597662 0.2191925E-01  10.83476 
1 1 1 7   1  28 o 32.52286 9.681298 98.32186       57.76394 159.2641       85.42998 46.99311       78.40276 40.62352 11.68714 27.85577 11.05371 12.76776       16.08644 
1 1 1 7   1  29 o 78.92046 5.088582 545.1882       68.21308 581.9423       102.9187 516.3936       91.09547 80.37542 7.588199 75.92081 7.109195 4.454605       10.39814 
1 1 1 7   2  0  o 200.4505 4.520715 3435.263       154.7448 3337.093       218.5652 3533.932       219.1204 197.4280 6.482915 203.1813 6.315347 -5.753311      9.050513 
1 1 1 7   2  1  o 86.29221 3.471765 636.3130       51.15921 613.8589       71.71365 659.5822       73.00370 84.57256 4.987662 87.68423 4.895065 -3.111679      6.988450 
1 1 1 7   2  2  o 252.1375 4.604272 5435.790       198.2441 5231.558       332.9195 5547.994       246.7637 247.0164 7.892444 254.6328 5.674990 -7.616348      9.720915 
1 1 1 7   2  3  o 120.3975 4.005403 1238.860       82.35039 1133.336       137.4540 1297.943       102.8525 114.8268 7.043933 123.2062 4.888551 -8.379402      8.574084 
1 1 1 7   2  4  o 380.8358 6.240629 12406.63       405.8522 12392.76       683.7250 12414.18       504.3098 379.9709 10.53730 380.7592 7.756129 -0.7883301     13.08404 
1 1 1 7   2  5  o 365.5097 5.368687 11419.03       335.0957 11154.06       474.0694 11683.61       473.7247 361.0435 7.689187 369.5334 7.507069 -8.489868      10.74615 
1 1 1 7   2  6  o 186.0839 3.332244 2957.569       105.8882 2976.768       150.1517 2938.575       149.3486 186.6557 4.710718 185.4543 4.715875 1.201416       6.665608 
1 1 1 7   2  7  o 184.4928 3.556569 2907.273       112.0502 2723.122       156.2072 3102.459       160.8192 178.5200 5.124037 190.5537 4.942181 -12.03377      7.119052 
1 1 1 7   2  8  o 470.6676 6.007858 18934.77       482.8763 19073.77       683.0021 18795.86       682.7783 472.1452 8.471191 468.6860 8.530919 3.459259       12.02238 
1 1 1 7   2  9  o 264.2816 3.918489 5966.424       176.8428 5836.864       250.3719 6095.409       249.8161 261.3306 5.610395 267.0619 5.477805 -5.731262      7.841103 
1 1 1 7   2  10 f 266.8100 4.603741 6082.639       209.7562 6007.067       296.6199 6158.232       296.6603 265.0484 6.553497 268.3674 6.473331 -3.318970      9.211533 
1 1 1 7   2  11 o 200.6125 3.480584 3437.917       119.2373 3475.668       168.8514 3400.366       168.4036 201.6636 4.903151 199.4655 4.944036 2.198120       6.963072 
1 1 1 7   2  12 o 271.8283 4.396433 6314.995       204.0784 6283.408       289.2891 6346.287       287.9366 271.0165 6.250782 272.3742 6.190547 -1.357697      8.797451 
1 1 1 7   2  13 o 209.8656 4.211191 3764.633       150.9204 3674.027       189.8408 3920.240       248.7849 207.2552 5.363920 213.9729 6.808685 -6.717712      8.667747 
1 1 1 7   2  14 f 95.47653 3.936512 779.2528       64.18155 829.4395       115.8177 757.0103       77.10327 98.13642 6.956104 93.95338 4.821963 4.183044       8.463965 
1 1 1 7   2  15 o 330.1382 4.561143 9324.133       257.1410 9362.591       364.2397 9285.921       363.0677 330.4965 6.453845 329.1394 6.459603 1.357086       9.131187 
1 1 1 7   2  16 o 119.9508 3.340503 1229.991       68.42533 1305.583       97.29021 1156.000       96.25418 123.5143 4.612642 116.2094 4.850387 7.304939       6.693484 
1 1 1 7   2  17 o 120.9933 4.658432 1253.346       96.25053 1171.444       136.5463 1334.230       135.6953 116.5863 6.889114 124.5248 6.402932 -7.938553      9.405181 
1 1 1 7   2  18 o 165.1227 4.056096 2333.341       114.3712 2441.112       193.3715 2275.356       141.8408 168.5578 6.718027 162.9503 5.097344 5.607452       8.432960 
1 1 1 7   2  19 o 183.0821 3.609582 2867.671       112.8508 2809.232       162.2230 2922.471       157.0909 181.0063 5.248279 184.6568 4.981772 -3.650497      7.236193 
1 1 1 7   2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   2  21 o 42.10303 7.946838 157.9106       55.04135 122.7725       87.33306 181.0651       70.89347 37.74637 12.02580 44.87157 9.545377 -7.125198      15.35363 
1 1 1 7   2  22 o 63.15586 6.173984 346.3969       65.73409 298.8228       94.47372 391.0433       91.52068 57.81472 9.926666 66.73959 8.203028 -8.924870      12.87744 
1 1 1 7   2  23 o 147.1521 4.724963 1859.846       118.7317 1874.281       205.4434 1852.607       145.4890 146.6227 8.238584 146.6439 5.809842 -0.2119446E-01 10.08110 
1 1 1 7   2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   2  25 o 82.68296 4.805282 591.1284       67.55533 611.4829       89.41565 564.0574       103.1182 83.72820 6.299915 79.99633 7.641490 3.731865       9.903601 
1 1 1 7   2  26 o 73.92745 4.934955 474.1954       61.94241 437.2240       91.89899 504.9760       83.85250 70.13338 7.805762 75.85571 6.537141 -5.722328      10.18156 
1 1 1 7   2  27 o 48.56385 7.717761 213.1453       61.86253 181.2151       98.31686 234.0721       79.59354 43.40833 12.55202 50.24796 9.626405 -6.839638      15.81838 
1 1 1 7   2  28 o 96.60667 4.445388 808.3675       73.33627 779.6633       109.9885 831.3428       98.40231 93.70346 6.922700 97.25526 5.953691 -3.551796      9.130730 
1 1 1 7   2  29 o 56.06092 6.974553 282.9869       65.32614 207.1457       89.95346 367.6215       95.02528 45.93567 11.49513 62.95411 9.103568 -17.01843      14.66332 
1 1 1 7   3  0  o 440.9773 8.367706 16684.87       630.1220 15554.03       911.6135 17719.48       871.9626 424.4730 12.57647 453.5508 11.25823 -29.07785      16.87943 
1 1 1 7   3  1  o 180.7600 5.038938 2794.553       155.5405 2681.820       224.9185 2897.878       215.3296 176.8995 7.445548 183.9390 6.855324 -7.039490      10.12085 
1 1 1 7   3  2  o 286.7327 6.193035 7036.013       303.2373 7202.370       428.7776 6869.555       428.9071 289.7836 8.664757 282.9778 8.875830 6.805817       12.40397 
1 1 1 7   3  3  o 306.9025 5.121562 8052.692       268.4138 8154.839       451.7176 7996.942       333.7184 308.4793 8.575096 305.7268 6.392118 2.752533       10.69539 
1 1 1 7   3  4  o 145.4298 3.838925 1806.888       95.33778 1959.178       159.7376 1722.623       118.8216 151.3646 6.179894 141.9723 4.901061 9.392319       7.887426 
1 1 1 7   3  5  o 449.2528 6.896575 17258.85       529.0859 17797.29       903.2025 16977.57       652.8188 455.5745 11.60978 445.3917 8.583188 10.18280       14.43808 
1 1 1 7   3  6  o 272.6949 4.993819 6353.841       232.5476 5951.625       396.1523 6565.308       287.2462 263.7248 8.796490 277.1485 6.069318 -13.42374      10.68713 
1 1 1 7   3  7  o 95.02604 3.233773 771.2369       52.47519 738.4360       75.69586 801.5848       72.81047 92.84307 4.790750 96.86520 4.401737 -4.022125      6.505888 
1 1 1 7   3  8  o 213.6397 3.408729 3898.424       124.3587 3695.036       176.5611 4098.657       175.1866 207.9507 4.972017 219.0233 4.683912 -11.07251      6.830811 
1 1 1 7   3  9  o 72.30238 3.462461 446.5261       42.75032 501.3297       63.08015 399.9735       58.13797 76.44243 4.857541 68.23025 5.025142 8.212181       6.989117 
1 1 1 7   3  10 o 508.2718 6.101285 22087.62       529.5650 22103.03       749.1469 22072.22       748.6894 508.1064 8.633965 507.7522 8.634714 0.3542480      12.21080 
1 1 1 7   3  11 o 233.6812 3.887884 4665.524       155.1454 4493.738       220.4966 4833.962       218.3367 229.2572 5.632186 237.7918 5.376850 -8.534576      7.786657 
1 1 1 7   3  12 o 386.2305 6.243288 12763.41       411.7767 12780.19       512.1729 12732.74       692.4617 386.2653 7.764777 385.0297 10.53173 1.235565       13.08469 
1 1 1 7   3  13 f 144.1813 3.390404 1776.304       83.47614 1863.132       124.1023 1704.559       112.8102 147.6014 4.923651 141.1914 4.678839 6.410019       6.792192 
1 1 1 7   3  14 o 60.16585 4.073353 310.9166       41.60424 313.9394       62.63832 308.5303       55.65363 60.22972 6.177575 59.78564 5.513347 0.4440765      8.280063 
1 1 1 7   3  15 o 142.4175 3.441608 1733.828       83.70023 1742.779       120.2410 1725.413       116.5837 142.6967 4.934425 141.9926 4.808065 0.7041626      6.889560 
1 1 1 7   3  16 o 200.4558 4.954812 3440.354       169.6086 3512.660       240.1621 3368.408       239.5644 202.2825 6.952553 198.0652 7.082916 4.217239       9.925003 
1 1 1 7   3  17 o 90.85335 3.741748 706.0519       58.05202 646.6962       85.96258 755.8168       78.71169 86.64414 5.844041 93.81004 4.930764 -7.165894      7.646257 
1 1 1 7   3  18 o 154.0351 3.540292 2029.515       93.12377 2089.841       132.7003 1970.980       130.7159 156.1708 4.975883 151.6568 5.047364 4.513962       7.087687 
1 1 1 7   3  19 o 147.5288 12.50979 1916.308       312.1893 1963.378       432.7121 1865.210       450.8509 147.2511 17.55432 142.8174 18.95456 4.433792       25.83465 
1 1 1 7   3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   3  21 o 275.3832 4.525038 6498.560       212.7951 6441.343       301.6608 6555.231       300.2198 273.6575 6.455197 276.0934 6.367682 -2.435883      9.067356 
1 1 1 7   3  22 o 87.39300 4.654864 656.9913       69.21775 685.5731       96.94201 627.2653       98.86365 88.98724 6.422594 85.01205 6.868784 3.975197       9.403717 
1 1 1 7   3  23 o 35.37035 9.561136 113.2653       59.12889 117.5057       79.47338 108.0076       88.49380 36.50031 11.45318 35.86736 12.14131 0.6329460      16.69092 
1 1 1 7   3  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   3  25 o 52.51605 6.484982 243.0947       56.92191 265.5403       72.87699 207.9776       91.15592 54.47825 8.078449 47.17246 11.43497 7.305790       14.00071 
1 1 1 7   3  26 o 114.3128 4.155846 1125.452       81.12526 986.1834       119.2262 1245.522       110.7041 106.1160 6.612304 119.8981 5.406915 -13.78211      8.541504 
1 1 1 7   3  27 o 141.2562 3.933322 1720.275       94.87875 1713.555       139.3158 1726.088       129.5711 140.1779 5.819944 140.9015 5.385063 -0.7235413     7.929101 
1 1 1 7   3  28 o 137.1854 4.178991 1627.850       97.89970 1565.870       140.6289 1686.135       136.3714 133.5401 6.166815 138.8225 5.752564 -5.282394      8.433362 
1 1 1 7   3  29 o 92.78520 5.024409 753.1508       79.31297 716.2582       114.8686 786.7640       109.6446 89.10297 7.622680 93.86510 6.888505 -4.762138      10.27408 
1 1 1 7   4  0  o 325.8343 6.374424 9087.703       354.6824 9363.598       501.5980 8811.813       501.5954 330.3526 8.891522 320.4222 9.167039 9.930420       12.77082 
1 1 1 7   4  1  o 153.9252 4.163306 2024.931       109.4334 2111.984       158.5160 1945.661       151.2631 157.1223 5.907901 150.8103 5.873541 6.312012       8.330773 
1 1 1 7   4  2  o 240.4925 6.738670 4948.708       276.7437 4871.539       400.2746 5019.376       383.0431 238.3262 9.835224 241.9760 9.269866 -3.649765      13.51525 
1 1 1 7   4  3  o 356.9566 7.092201 10900.27       432.3131 10535.48       624.6133 11235.70       598.9595 350.5413 10.43446 362.1068 9.686322 -11.56543      14.23737 
1 1 1 7   4  4  o 243.6019 4.748764 5070.447       197.5436 5277.392       326.9658 4951.482       247.9045 248.3770 7.708839 240.6740 6.031890 7.702988       9.788254 
1 1 1 7   4  5  o 272.2954 4.426342 6334.299       205.8199 6315.271       345.8203 6344.736       256.1210 271.7451 7.452240 272.4775 5.504434 -0.7324829     9.264701 
1 1 1 7   4  6  o 299.7211 5.687387 7677.342       291.0932 7629.121       490.5955 7703.543       361.6302 298.5196 9.623848 300.1568 7.055285 -1.637238      11.93296 
1 1 1 7   4  7  o 700.5697 10.02398 42032.50       1199.205 43424.78       2048.130 41306.19       1479.288 710.1132 16.88994 693.9147 12.48374 16.19849       21.00271 
1 1 1 7   4  8  o 608.0385 8.658706 31642.49       899.0544 33281.88       1516.660 30754.32       1116.338 622.3185 14.27163 599.0241 10.91314 23.29443       17.96597 
1 1 1 7   4  9  o 384.4917 5.460631 12635.64       358.5351 12645.83       508.0794 12625.54       506.0174 384.4453 7.739183 384.1393 7.713914 0.3060303      10.92700 
1 1 1 7   4  10 o 231.9828 3.760625 4597.554       148.9765 4564.406       188.4092 4652.852       243.3481 231.1053 4.774086 233.2666 6.109047 -2.161240      7.753215 
1 1 1 7   4  11 o 156.1703 3.619708 2083.749       96.53260 1973.124       175.1935 2131.979       115.6769 151.8483 6.756257 157.9470 4.288777 -6.098694      8.002539 
1 1 1 7   4  12 o 381.9588 4.395882 12471.11       286.7243 12532.08       407.5636 12411.36       403.4466 382.6685 6.236928 380.8255 6.203804 1.843018       8.796956 
1 1 1 7   4  13 o 205.9223 3.513929 3623.872       123.5658 3975.954       177.7580 3294.663       171.8867 215.6070 4.827968 196.2457 5.129091 19.36139       7.043923 
1 1 1 7   4  14 f 131.9537 4.126376 1488.955       92.98060 1455.918       132.0047 1521.486       130.9900 130.3753 5.929150 133.2909 5.754873 -2.915619      8.262771 
1 1 1 7   4  15 o 276.4072 4.309329 6536.058       203.4047 6592.046       290.0553 6481.884       285.3186 277.3137 6.125021 274.9954 6.075789 2.318268       8.627345 
1 1 1 7   4  16 o 126.8042 3.476200 1374.898       75.27316 1276.163       113.5648 1452.265       100.5280 122.0371 5.449415 130.2578 4.519410 -8.220619      7.079632 
1 1 1 7   4  17 o 292.1151 4.460407 7305.506       222.5003 7348.605       316.4464 7263.365       312.9092 292.5757 6.333736 290.8824 6.299396 1.693298       8.933006 
1 1 1 7   4  18 o 83.94833 3.865211 603.0615       55.40987 573.3356       85.84774 624.2881       72.54424 81.47668 6.217048 85.20315 5.007939 -3.726463      7.983179 
1 1 1 7   4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   4  20 o 182.6259 4.319327 2856.533       134.7040 2806.842       230.6294 2882.262       165.9524 180.4739 7.483390 183.3033 5.301655 -2.829422      9.171078 
1 1 1 7   4  21 o 166.7534 4.397703 2382.679       125.2283 2289.561       154.9932 2557.759       212.5259 163.2893 5.558443 172.2525 7.225107 -8.963257      9.115835 
1 1 1 7   4  22 o 73.49165 4.935384 465.8353       61.57912 491.2408       93.33691 446.2537       81.94332 75.02702 7.380585 71.60020 6.782772 3.426811       10.02392 
1 1 1 7   4  23 o 207.9247 4.038629 3709.800       143.3976 3701.272       205.2541 3717.932       200.4218 207.1376 5.802711 207.6577 5.651907 -0.5201111     8.100340 
1 1 1 7   4  24 o 116.7489 4.128547 1171.084       82.30984 1118.031       113.9025 1229.066       119.0772 113.5609 5.893840 119.2313 5.848390 -5.670410      8.303072 
1 1 1 7   4  25 o 122.8776 5.589710 1307.158       117.2908 1316.020       166.7423 1298.478       165.0196 122.1602 8.037971 121.3542 8.008053 0.8059845      11.34627 
1 1 1 7   4  26 o 58.89317 6.385704 305.8872       63.19195 275.3472       93.26673 331.8045       85.91864 54.45562 10.40900 60.64745 8.531988 -6.191822      13.45891 
1 1 1 7   4  27 o 116.4306 4.361795 1172.220       86.72305 915.1985       126.6774 1398.934       118.9745 101.4675 7.360977 126.7236 5.497868 -25.25616      9.187520 
1 1 1 7   4  28 o 151.3262 4.122515 1980.684       106.5315 2022.050       154.1417 1942.858       147.4010 151.8493 5.944366 148.9432 5.795324 2.906067       8.301883 
1 1 1 7   4  29 o 91.88589 5.103772 740.0714       79.76795 542.5840       117.4857 908.9697       108.6496 76.41790 9.187131 101.1806 6.319878 -24.76270      11.15098 
1 1 1 7   5  0  o 254.3606 6.035491 5533.169       262.1588 5667.875       370.7284 5398.435       370.7686 257.2397 8.439486 251.0309 8.649156 6.208725       12.08440 
1 1 1 7   5  1  o 210.8314 5.538606 3799.815       199.4057 3804.500       281.9666 3795.128       282.0380 210.8353 7.831635 210.5747 7.843312 0.2605896      11.08386 
1 1 1 7   5  2  o 478.8712 8.800014 19631.67       719.6213 18941.59       1017.631 20321.94       1017.765 469.7113 12.68695 486.6158 12.24784 -16.90445      17.63430 
1 1 1 7   5  3  o 126.7424 4.413713 1372.381       95.52740 1310.983       138.9122 1427.467       131.5782 123.6536 6.602452 129.2293 5.962400 -5.575684      8.896212 
1 1 1 7   5  4  o 209.7623 5.096836 3759.705       182.5702 3538.350       264.3824 3961.480       252.4194 203.3996 7.611681 215.2515 6.867121 -11.85191      10.25159 
1 1 1 7   5  5  o 260.6479 5.793533 5806.382       257.8693 5829.842       373.1536 5784.938       356.7630 261.0352 8.371180 260.0489 8.033835 0.9862976      11.60255 
1 1 1 7   5  6  o 662.1406 10.00449 37548.42       1131.220 39086.90       1908.169 36714.72       1404.670 673.7858 16.58415 654.1737 12.57417 19.61212       20.81210 
1 1 1 7   5  7  o 438.6665 6.111817 16449.78       457.8327 17316.09       772.2194 15980.20       568.5303 449.6109 10.05778 432.2083 7.702978 17.40265       12.66865 
1 1 1 7   5  8  o 153.0916 3.642004 2002.048       95.21245 1853.727       163.0502 2078.794       117.2866 147.2382 6.484836 155.9818 4.403244 -8.743591      7.838473 
1 1 1 7   5  9  o 296.7023 5.862084 7526.478       297.0126 7066.548       420.9934 7982.262       419.0917 287.2757 8.581721 305.3755 8.036610 -18.09982      11.75725 
1 1 1 7   5  10 o 328.1120 6.102006 9207.983       341.8981 8392.594       1191.522 9281.143       356.9067 309.0634 22.73592 329.3898 6.345161 -20.32635      23.60472 
1 1 1 7   5  11 o 57.60683 4.748586 285.6320       46.29701 305.4693       85.10847 277.2949       55.17458 59.06333 8.698751 56.64134 5.785534 2.421986       10.44704 
1 1 1 7   5  12 o 124.7502 3.422990 1329.850       72.92033 1388.429       108.3714 1281.385       98.57339 127.4110 4.980877 122.4118 4.715575 4.999237       6.858993 
1 1 1 7   5  13 o 161.7601 4.718789 2238.347       130.3479 2386.914       186.6440 2096.896       182.1189 166.8979 6.548793 156.4067 6.818639 10.49118       9.454127 
1 1 1 7   5  14 o 338.6024 4.688595 9810.813       271.1032 9816.711       385.4775 9805.041       381.3514 338.3242 6.672124 338.1382 6.604338 0.1860046      9.387999 
1 1 1 7   5  15 o 265.5522 4.167079 6032.818       188.9660 6183.180       269.3914 5887.168       265.1359 268.5826 5.873593 262.0659 5.924560 6.516724       8.342631 
1 1 1 7   5  16 o 201.1576 3.612203 3460.787       124.0825 3365.822       179.6668 3547.386       171.5713 198.1855 5.308772 203.5105 4.936917 -5.325012      7.249567 
1 1 1 7   5  17 o 271.3772 4.220787 6304.052       195.5999 6546.685       277.3137 6063.832       275.9316 276.2217 5.879110 265.7950 6.079286 10.42664       8.457047 
1 1 1 7   5  18 o 140.7817 12.63479 1747.069       300.5165 1860.001       400.5015 1601.560       454.6115 143.7043 16.62759 131.2309 20.99395 12.47337       26.78101 
1 1 1 7   5  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   5  20 o 197.0010 3.864575 3322.355       130.0086 3271.613       189.8758 3367.140       178.3819 195.1917 5.696476 198.1012 5.273048 -2.909485      7.762401 
1 1 1 7   5  21 o 178.8535 3.783498 2739.231       115.5561 2748.296       168.9337 2731.260       158.4150 178.8545 5.531139 178.3631 5.201031 0.4913940      7.592379 
1 1 1 7   5  22 o 38.16460 10.58707 131.9188       71.41884 171.0364       109.7218 103.1614       94.07657 43.59673 13.42121 35.76898 12.50307 7.827747       18.34272 
1 1 1 7   5  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   5  24 o 227.9581 4.241552 4468.667       165.1132 4492.488       235.6149 4445.680       231.4513 227.7249 6.058851 226.5765 5.981951 1.148361       8.514306 
1 1 1 7   5  25 o 32.29088 9.893625 93.95654       59.70475 23.85020       96.08817 138.0449       76.19968 28.37906 11.86144 38.56335 11.02052 -10.18430      16.19091 
1 1 1 7   5  26 o 112.4906 4.472908 1093.037       85.92276 1018.714       127.5900 1154.714       116.2293 107.5040 6.988023 114.9730 5.940239 -7.468994      9.171637 
1 1 1 7   5  27 o 106.6098 4.936175 987.2842       89.86478 944.0828       134.7989 1021.844       120.5650 102.7276 7.741061 107.5589 6.595914 -4.831329      10.17006 
1 1 1 7   5  28 o 90.04449 5.527511 711.7481       84.58306 723.0639       129.4530 703.3185       111.7311 89.06107 8.619651 88.52738 7.460382 0.5336914      11.39981 
1 1 1 7   5  29 o 130.8959 4.643606 1492.602       103.7967 1536.251       154.9607 1457.081       139.7900 131.0327 6.950173 128.1988 6.385431 2.833862       9.438148 
1 1 1 7   6  0  f 490.0824 8.431688 20553.89       705.6439 20837.32       997.9265 20270.46       997.9360 492.9052 11.85586 486.1239 12.02137 6.781311       16.88416 
1 1 1 7   6  1  o 577.5126 10.04977 28564.07       991.1051 28894.06       1431.060 28259.89       1373.952 579.8965 14.45125 573.6017 14.02682 6.294861       20.13927 
1 1 1 7   6  2  o 394.1246 7.579407 13285.32       510.1181 12476.01       721.0991 14096.05       721.7332 381.5675 11.06679 405.6681 10.41847 -24.10059      15.19929 
1 1 1 7   6  3  f 418.6346 9.187078 15000.93       656.7718 14809.93       948.6615 15176.75       910.1653 415.3861 13.37388 420.6113 12.67177 -5.225159      18.42375 
1 1 1 7   6  4  o 232.5622 5.005271 4621.447       198.7782 4456.212       287.1551 4773.476       275.4403 228.2665 7.366691 236.2798 6.826512 -8.013336      10.04338 
1 1 1 7   6  5  o 236.9168 4.884921 4796.100       197.6311 4829.627       286.4556 4765.645       273.0138 237.6468 7.058680 236.0820 6.772044 1.564758       9.781898 
1 1 1 7   6  6  o 176.9362 4.480665 2674.809       135.3821 2304.660       232.7018 2864.196       166.4513 163.8934 8.342069 183.0681 5.324422 -19.17467      9.896443 
1 1 1 7   6  7  o 572.9533 8.131675 28094.98       795.6118 28278.40       1378.652 28003.39       974.2054 573.4809 14.07776 571.6800 9.979198 1.800903       17.25595 
1 1 1 7   6  8  o 190.8140 4.509570 3111.286       146.9424 3191.036       208.3698 3032.391       207.2506 193.1696 6.316754 188.3006 6.445288 4.869080       9.024585 
1 1 1 7   6  9  o 163.7364 4.818470 2291.557       134.7275 2516.966       607.9985 2279.918       138.1623 168.5871 21.61708 163.3150 4.954063 5.272125       22.17749 
1 1 1 7   6  10 f 148.9087 3.805817 1894.800       96.77650 1692.225       166.5467 1998.069       118.9122 140.5919 6.937035 152.8860 4.554668 -12.29416      8.298641 
1 1 1 7   6  11 f 173.7449 4.705654 2581.302       139.6157 2429.459       197.8688 2731.854       197.0266 168.4158 6.880067 178.6232 6.459293 -10.20746      9.437043 
1 1 1 7   6  12 o 102.2763 3.898654 894.2501       68.09130 883.2933       116.5722 899.9245       83.89013 101.2969 6.778137 102.5680 4.789576 -1.271141      8.299588 
1 1 1 7   6  13 o 186.3088 4.130000 2968.631       131.3969 2977.577       222.2296 2963.822       162.9273 186.3033 6.985209 186.0746 5.127488 0.2286377      8.665119 
1 1 1 7   6  14 o 358.9707 5.892946 11044.44       361.2380 10699.67       609.3745 11231.25       448.5485 352.0150 10.13727 361.6372 7.263308 -9.622162      12.47077 
1 1 1 7   6  15 o 215.0303 3.803598 3955.115       139.6678 3904.368       200.4819 4002.970       194.6857 213.4354 5.500559 216.1465 5.274532 -2.711166      7.620816 
1 1 1 7   6  16 o 248.9151 4.034822 5302.244       171.5053 5454.751       244.8845 5155.428       240.2714 252.1877 5.686376 245.1606 5.739176 7.027115       8.079171 
1 1 1 7   6  17 o 65.27464 4.169768 366.2322       46.23649 354.5010       75.42764 373.2937       58.52055 63.81709 7.038449 65.77597 5.253860 -1.958878      8.783098 
1 1 1 7   6  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   6  19 o 150.0116 3.618661 1925.631       92.69893 2025.792       137.4257 1842.010       125.5675 153.6797 5.236603 146.5706 5.016820 7.109146       7.251930 
1 1 1 7   6  20 o 48.00983 5.667264 200.6711       45.56704 255.5664       75.08556 168.6669       57.33126 53.73011 8.463486 43.52337 8.008890 10.20675       11.65216 
1 1 1 7   6  21 o 138.5153 3.692210 1643.347       87.33456 1575.906       130.7530 1697.670       117.3506 135.3581 5.656730 140.6207 4.886906 -5.262573      7.475323 
1 1 1 7   6  22 o 94.06039 4.325632 759.6678       69.47976 678.0561       108.0631 817.1807       90.71606 88.13787 7.243911 97.24033 5.485455 -9.102455      9.086498 
1 1 1 7   6  23 o 25.60480 10.29445 29.78109       68.90777 108.8134       115.1217 -14.34343      86.01915 37.46955 13.74247 24.51980 10.74491 12.94975       17.44444 
1 1 1 7   6  24 o 101.8832 5.914906 902.7281       102.4658 953.8307       130.6050 820.9193       165.2491 104.2150 7.386707 95.38625 10.30894 8.828705       12.68218 
1 1 1 7   6  25 o 21.84046 9.116841 11.77024       56.66238 8.703362       108.3770 12.92392       66.47087 28.69821 12.31889 23.48655 9.844680 5.211660       15.76936 
1 1 1 7   6  26 o 17.72746 8.293372 -56.04186      62.58028 56.68135       95.17945 -141.8811      83.05759 30.54828 12.16108 17.49170 8.532392 13.05657       14.85576 
1 1 1 7   6  27 o 87.00819 5.293948 662.3177       78.28381 591.3171       118.3720 717.5106       104.3661 80.53763 8.747581 89.85863 6.853066 -9.320999      11.11237 
1 1 1 7   6  28 o 51.29096 10.64873 253.7235       90.21783 161.0782       213.2524 273.9195       99.56683 43.36234 17.85609 52.95910 11.35082 -9.596752      21.15848 
1 1 1 7   7  0  o 499.1945 7.750941 21315.50       660.7333 22611.77       1143.190 20665.26       809.6667 513.3026 13.04197 491.2777 9.651111 22.02487       16.22458 
1 1 1 7   7  1  o 188.7698 4.293372 3044.248       138.3990 2863.593       230.3081 3146.360       173.1499 182.9834 7.370475 191.8820 5.284283 -8.898560      9.069043 
1 1 1 7   7  2  o 274.3882 6.471334 6436.740       303.2224 6224.325       428.8916 6649.017       428.7508 269.6357 9.314688 278.7068 9.008561 -9.071136      12.95830 
1 1 1 7   7  3  o 314.3350 6.522931 8447.845       350.1365 8719.663       495.3821 8176.496       494.9538 319.1485 9.089616 309.0222 9.379358 10.12637       13.06114 
1 1 1 7   7  4  o 571.3919 10.81004 27984.07       1054.783 27326.54       1523.035 28590.12       1462.201 563.4026 15.83030 576.5646 14.85105 -13.16205      21.70604 
1 1 1 7   7  5  o 201.8331 4.579560 3480.764       157.8404 3477.513       223.8893 3483.977       222.5567 201.6640 6.501341 201.8534 6.456584 -0.1893616     9.162691 
1 1 1 7   7  6  o 221.6039 6.343139 4199.344       240.0399 4015.236       347.7041 4366.985       331.7903 216.4963 9.404970 225.8411 8.603175 -9.344803      12.74630 
1 1 1 7   7  7  f 309.6849 6.623265 8203.698       350.2629 8367.796       505.8187 8052.521       485.4990 312.4664 9.479592 306.5481 9.274443 5.918304       13.26190 
1 1 1 7   7  8  o 336.7553 5.455590 9696.960       313.7315 9551.199       543.5161 9769.793       384.1996 333.7141 9.537531 337.8969 6.658415 -4.182770      11.63181 
1 1 1 7   7  9  o 97.22563 3.827705 807.7963       63.55083 743.3728       111.2766 838.9798       77.41831 92.90674 7.066807 99.06644 4.576308 -6.159706      8.419166 
1 1 1 7   7  10 o 244.2974 5.324626 5105.651       222.1314 5037.917       314.5182 5173.062       313.7657 242.4286 7.597311 245.6737 7.479024 -3.245056      10.66091 
1 1 1 7   7  11 o 185.6639 4.083082 2947.275       129.4546 2718.998       221.1696 3066.239       159.6620 178.0646 7.273544 189.3140 4.938751 -11.24940      8.791798 
1 1 1 7   7  12 o 264.5201 4.732963 5987.292       213.7931 6062.678       360.6526 5946.448       265.4650 265.6569 7.949980 263.4583 5.900563 2.198608       9.900446 
1 1 1 7   7  13 o 299.6096 4.950473 7684.993       253.2820 7873.264       427.7731 7583.359       314.2969 302.5329 8.280163 297.3987 6.188696 5.134216       10.33736 
1 1 1 7   7  14 o 156.2443 3.681083 2087.885       98.21590 2110.710       167.1170 2075.842       121.3930 156.8508 6.239241 155.7231 4.564980 1.127762       7.730923 
1 1 1 7   7  15 o 73.99236 3.991355 469.8378       50.24578 487.1945       89.03773 461.7277       60.86295 74.96049 7.038091 73.25506 4.893498 1.705437       8.572109 
1 1 1 7   7  16 o 117.8070 3.609845 1187.301       72.62090 1180.353       125.3152 1190.815       89.10889 117.0635 6.291818 117.9235 4.425057 -0.8599243     7.692080 
1 1 1 7   7  17 o 26.52330 12.06466 -69.61893      119.6950 7.096596       134.7619 -356.2985      260.5097 32.57834 13.85377 33.03267 15.86804 -0.4543266     21.06470 
1 1 1 7   7  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   7  19 o 130.0528 3.806664 1447.908       84.54079 1371.919       132.5016 1500.081       109.7923 126.3314 6.141974 132.2670 4.860922 -5.935593      7.832778 
1 1 1 7   7  20 o 107.8876 3.983905 997.1899       73.39767 918.8858       111.2313 1057.581       97.68327 103.1085 6.348148 110.9807 5.154312 -7.872276      8.177157 
1 1 1 7   7  21 o 88.36824 4.354125 670.2004       65.70509 536.1091       104.0525 759.1273       84.73619 78.19875 7.900375 93.78384 5.312846 -15.58509      9.520623 
1 1 1 7   7  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   7  23 o 165.0219 3.993712 2340.123       112.5435 2353.454       173.1229 2330.365       148.1095 164.7699 6.152824 164.2857 5.279356 0.4842072      8.107333 
1 1 1 7   7  24 o 103.2787 4.210520 918.5185       74.25891 861.0401       114.5188 960.2225       97.54694 99.10229 6.808220 105.1622 5.450606 -6.059868      8.721293 
1 1 1 7   7  25 o 46.57766 11.76813 207.3581       93.63705 24.59670       127.5024 421.3304       137.9606 31.58801 13.45505 66.39404 12.62964 -34.80603      18.45390 
1 1 1 7   7  26 o 40.68135 10.38740 157.6383       72.41277 182.2455       124.6092 145.0914       88.97899 43.21372 14.40773 38.96231 12.10138 4.251415       18.81558 
1 1 1 7   7  27 o 60.56876 7.034994 329.3473       71.40834 367.0333       116.0275 306.3697       90.59888 61.71631 11.43023 57.22279 9.612365 4.493523       14.93478 
1 1 1 7   7  28 o 53.78998 8.526757 268.9015       75.71015 140.5708       116.9953 361.3609       99.30672 38.35463 13.88613 61.81961 9.728461 -23.46498      16.95486 
1 1 1 7   8  0  o 254.2964 4.243646 5524.729       184.2813 5467.430       316.1695 5554.211       226.7867 252.8253 7.323141 254.9355 5.209372 -2.110153      8.986987 
1 1 1 7   8  1  o 177.5630 3.951462 2693.424       119.8152 2751.829       205.8111 2663.483       147.3609 179.3887 6.718492 176.5487 4.887827 2.840042       8.308369 
1 1 1 7   8  2  o 128.3306 4.777980 1407.266       104.7072 1539.753       152.8351 1290.079       143.7396 134.1852 6.669860 122.6257 6.892200 11.55948       9.591114 
1 1 1 7   8  3  o 593.6795 8.441037 30171.35       855.7557 31766.13       1457.679 29332.65       1057.091 607.7868 14.04458 584.9398 10.58277 22.84705       17.58537 
1 1 1 7   8  4  o 255.0147 6.045074 5560.442       263.2502 5651.286       372.6306 5469.927       371.9545 256.9147 8.493518 252.7484 8.617861 4.166290       12.09989 
1 1 1 7   8  5  o 306.2638 7.673235 8028.377       401.3065 8235.454       436.4340 6895.123       1020.978 310.1302 8.240861 280.7196 21.46074 29.41058       22.98858 
1 1 1 7   8  6  o 246.9633 7.360343 5220.910       310.4077 5141.719       1116.815 5227.540       323.1399 239.6357 27.80848 247.0941 7.658194 -7.458359      28.84371 
1 1 1 7   8  7  o 145.7116 4.528908 1814.869       112.6911 1859.770       165.0182 1775.630       154.2634 147.4130 6.555322 144.0541 6.270979 3.358917       9.071793 
1 1 1 7   8  8  o 194.7407 4.575950 3242.322       152.1738 3267.372       221.3984 3219.891       209.5063 195.3500 6.636805 193.9500 6.325655 1.400070       9.168483 
1 1 1 7   8  9  o 167.8694 3.584437 2408.376       102.7530 2506.660       177.4910 2358.832       126.0178 171.1097 6.074349 166.0918 4.443055 5.017883       7.525853 
1 1 1 7   8  10 o 291.7049 4.919459 7280.552       245.0547 7625.282       425.4675 7109.423       299.7707 297.9459 8.362326 288.0962 6.093260 9.849640       10.34680 
1 1 1 7   8  11 o 122.2949 3.777351 1278.812       78.88558 1344.201       137.0708 1246.428       96.46132 125.0492 6.440800 120.6906 4.680344 4.358551       7.961754 
1 1 1 7   8  12 o 293.4975 5.179413 7376.904       259.5894 7327.484       445.4374 7402.320       319.4419 291.6548 8.943668 293.7794 6.367495 -2.124695      10.97881 
1 1 1 7   8  13 o 165.4192 3.855070 2340.717       108.8981 2340.463       185.1872 2340.851       134.6366 165.1196 6.567658 165.3428 4.768435 -0.2232513     8.116163 
1 1 1 7   8  14 o 54.42929 4.360109 255.2294       40.18563 266.7037       75.40466 250.6777       47.49190 55.03595 8.279690 53.83156 5.232430 1.204395       9.794467 
1 1 1 7   8  15 o 89.79585 3.773547 689.9385       57.86394 562.4999       102.1229 750.1989       70.22445 80.48425 7.517408 93.59978 4.393509 -13.11554      8.707144 
1 1 1 7   8  16 f 63.15372 15.53391 367.1801       166.3685 321.8190       206.7695 450.4644       280.1731 59.60630 18.43653 69.69240 21.44524 -10.08610      28.28081 
1 1 1 7   8  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   8  18 o 85.12727 4.129015 620.6276       60.02293 439.3621       114.1297 689.9331       70.57079 70.50819 9.738865 89.60152 4.627996 -19.09334      10.78257 
1 1 1 7   8  19 o 51.64238 5.830516 232.1326       50.51772 121.8984       102.9516 267.0925       57.97757 38.43515 13.09520 55.36979 6.240592 -16.93464      14.50618 
1 1 1 7   8  20 o 35.88090 7.704551 115.7380       45.79773 235.0163       98.99491 83.25805       51.65821 50.63129 11.68669 30.69628 9.159394 19.93501       14.84834 
1 1 1 7   8  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   8  22 o 60.60850 6.140355 321.2373       62.67482 251.8301       127.2377 343.4731       72.01793 51.52108 14.06678 62.51512 6.858778 -10.99404      15.64983 
1 1 1 7   8  23 o 113.4416 4.377463 1108.370       84.80016 903.7156       149.2747 1205.884       103.0413 100.7959 8.759537 118.1425 5.107441 -17.34653      10.13980 
1 1 1 7   8  24 o 78.58337 4.768099 535.5861       63.68238 578.7198       104.3182 509.9628       80.40251 80.73970 7.657669 76.25493 6.228868 4.484772       9.871104 
1 1 1 7   8  25 o 95.95153 4.744773 797.8155       77.74443 849.1700       126.0211 766.2620       98.78214 97.60465 7.621292 93.34809 6.232679 4.256561       9.845323 
1 1 1 7   8  26 o 57.15529 7.534462 295.3456       71.74534 333.8682       116.5583 271.8470       91.03445 58.52738 12.06332 53.55110 10.32919 4.976276       15.88130 
1 1 1 7   8  27 o 102.8392 7.392472 950.6440       128.9565 996.2290       187.8446 910.0097       177.3514 102.3755 10.91308 97.92669 10.78428 4.448776       15.34262 
1 1 1 7   9  0  o 472.9186 6.989007 19132.24       564.4218 20897.21       938.0161 18130.52       706.6685 493.5354 11.12987 460.0865 8.994442 33.44888       14.30993 
1 1 1 7   9  1  o 400.0867 5.660484 13684.75       386.7315 13492.71       665.8542 13782.52       475.0753 396.7578 9.827699 401.3849 6.931057 -4.627106      12.02594 
1 1 1 7   9  2  o 177.5711 3.717036 2693.821       112.7122 2609.285       190.0546 2739.684       139.9866 174.6645 6.371944 179.0495 4.578376 -4.385025      7.846222 
1 1 1 7   9  3  o 175.4526 3.949156 2630.260       118.3221 2860.297       198.1622 2502.806       147.5028 182.8619 6.345937 171.1105 5.048026 11.75139       8.108851 
1 1 1 7   9  4  o 525.8694 9.304604 23714.27       835.5601 26335.08       1203.463 21275.13       1161.002 553.1211 12.74121 496.8440 13.68393 56.27713       18.69728 
1 1 1 7   9  5  o 180.7513 4.691110 2792.987       144.7968 2119.957       606.4811 2833.669       149.1088 153.4925 23.91743 182.0578 4.796141 -28.56538      24.39358 
1 1 1 7   9  6  o 212.6141 5.528821 3867.126       200.7366 3889.146       284.5248 3845.304       283.2483 213.0144 7.821845 211.8094 7.831051 1.205002       11.06827 
1 1 1 7   9  7  o 293.1994 6.066310 7359.240       303.7313 7341.369       439.7460 7375.543       420.0149 292.4210 8.806259 293.1751 8.389493 -0.7541199     12.16280 
1 1 1 7   9  8  o 564.2632 9.987880 27407.72       962.4030 27637.59       1389.974 27196.04       1333.847 564.1431 14.42831 559.9248 13.95001 4.218323       20.06935 
1 1 1 7   9  9  o 233.7346 4.322498 4672.829       172.5281 5157.541       298.9533 4430.779       211.2584 245.1871 7.140093 227.4843 5.438268 17.70273       8.975283 
1 1 1 7   9  10 o 164.8305 4.064714 2323.818       114.4115 2229.521       199.8266 2369.806       139.5488 161.1452 7.261625 166.3871 4.911393 -5.241852      8.766582 
1 1 1 7   9  11 o 157.9760 4.012165 2134.818       108.2360 1881.392       189.6306 2257.274       131.8170 147.7677 7.540056 162.3829 4.753674 -14.61522      8.913465 
1 1 1 7   9  12 f 256.8242 4.699516 5647.874       206.1062 5747.664       353.3065 5596.395       253.7594 258.3826 8.007306 255.4573 5.817039 2.925339       9.897217 
1 1 1 7   9  13 o 120.2850 3.794409 1237.875       77.93948 1262.280       141.7607 1227.302       93.30730 120.9910 6.889723 119.7160 4.564168 1.275024       8.264376 
1 1 1 7   9  14 o 246.6876 4.718788 5213.593       198.7833 5361.268       341.3542 5137.817       244.5217 249.3635 8.016236 244.6659 5.852508 4.697556       9.925316 
1 1 1 7   9  15 o 74.13203 21.50521 517.7136       288.1788 545.6509       432.6632 495.4371       386.3504 77.36014 26.82617 73.96031 25.36665 3.399826       36.92033 
1 1 1 7   9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   9  17 f 65.37876 4.533648 368.0455       50.30315 199.1028       98.48293 427.6807       58.51168 46.80935 12.19737 70.45502 4.893629 -23.64567      13.14243 
1 1 1 7   9  18 o 77.58031 4.362207 517.4540       57.55640 514.2753       102.9215 518.9004       69.42744 76.72837 7.971394 77.56663 5.272790 -0.8382568     9.557480 
1 1 1 7   9  19 o 30.76369 7.902445 85.14237       41.73423 36.84047       98.26083 95.77361       46.09884 30.13118 12.23003 32.59561 8.268970 -2.464432      14.76311 
1 1 1 7   9  20 o 121.5858 4.380745 1269.833       90.95631 1260.988       172.6269 1273.233       107.0162 119.8982 8.486105 121.6088 5.153268 -1.710541      9.928250 
1 1 1 7   9  21 o 64.58813 5.603677 362.9173       61.19307 465.7943       114.0879 321.3669       72.50497 72.11494 9.495162 60.38057 7.172102 11.73437       11.89946 
1 1 1 7   9  22 o 87.58680 4.988012 664.2859       74.29631 243.7205       142.4132 821.5521       87.08656 50.35831 15.24927 97.36169 5.257435 -47.00338      16.13012 
1 1 1 7   9  23 o 77.65928 4.946509 523.4491       65.25703 427.1032       118.5662 565.3174       78.16043 68.15256 10.52690 80.50093 5.722987 -12.34837      11.98200 
1 1 1 7   9  24 o 22.70435 8.953176 28.80931       51.13755 304.5919       112.4960 -43.01968      57.41213 56.32531 12.05963 17.53844 8.115518 38.78687       14.53604 
1 1 1 7   9  25 o 88.01184 5.009431 675.8173       74.97762 790.6259       127.6733 615.3787       92.63391 93.68854 8.058586 83.33357 6.562612 10.35497       10.39272 
1 1 1 7   9  26 o 132.3446 4.573902 1521.705       103.3701 1609.021       186.2056 1482.808       124.2793 133.3453 8.217386 130.0876 5.594491 3.257645       9.941014 
1 1 1 7   9  27 o 36.39542 10.13829 128.3575       65.34984 215.1897       101.0793 65.99624       85.66018 45.99074 12.52976 29.85448 11.64256 16.13626       17.10392 
1 1 1 7   10 0  o 160.4767 3.727419 2200.445       102.1462 2184.748       167.4187 2209.753       128.9227 159.8046 6.134976 160.7817 4.695597 -0.9770966     7.725708 
1 1 1 7   10 1  o 174.1339 3.814490 2591.106       113.4284 2555.297       195.2953 2609.335       139.3395 172.7878 6.618760 174.7105 4.670391 -1.922699      8.100650 
1 1 1 7   10 2  o 324.3405 5.533026 8998.048       306.4544 9122.242       534.2448 8937.142       374.1261 325.9888 9.597004 323.0966 6.780843 2.892181       11.75084 
1 1 1 7   10 3  o 231.0833 5.901212 4569.371       232.8690 5016.247       330.4297 4128.413       328.2344 241.8990 7.999136 219.3627 8.762326 22.53629       11.86442 
1 1 1 7   10 4  f 156.5733 3.919518 2095.376       104.7979 2224.581       174.8489 2022.939       130.9191 161.1914 6.352128 153.7935 4.984977 7.397873       8.074622 
1 1 1 7   10 5  o 217.0720 4.657073 4029.865       172.6310 3907.394       249.2446 4142.788       239.3311 213.5465 6.834887 219.9354 6.372386 -6.388885      9.344676 
1 1 1 7   10 6  o 197.0517 4.248219 3320.425       142.9516 3402.735       245.0269 3277.952       176.0105 199.1952 7.203325 195.7075 5.266588 3.487717       8.923276 
1 1 1 7   10 7  o 152.5119 4.079845 1989.124       106.2550 1904.449       171.7810 2041.598       135.2281 149.0272 6.750060 154.4402 5.127491 -5.412933      8.476702 
1 1 1 7   10 8  o 174.6956 4.588103 2611.506       136.8727 2763.424       232.3022 2530.721       169.3998 179.3639 7.584313 171.8623 5.772054 7.501572       9.530919 
1 1 1 7   10 9  o 65.11005 5.635138 365.9623       62.03710 363.1091       89.15272 368.6408       86.38037 64.44313 8.293817 65.00141 7.947520 -0.5582809     11.48697 
1 1 1 7   10 10 o 196.5589 3.964245 3305.254       133.0623 3441.382       235.5538 3241.457       161.2554 200.1717 6.891051 194.5581 4.853589 5.613602       8.428755 
1 1 1 7   10 11 o 68.54938 4.225397 403.7057       49.22107 423.7885       90.62301 395.3022       58.62153 69.75075 7.738743 67.73234 5.105806 2.018410       9.271321 
1 1 1 7   10 12 f 168.3377 3.881010 2424.889       111.5650 2637.592       195.6864 2322.458       135.7966 175.2112 6.540288 164.6446 4.829914 10.56660       8.130403 
1 1 1 7   10 13 o 208.0928 4.294662 3708.016       152.6118 3768.802       269.3975 3679.291       185.1935 209.1632 7.542345 207.1399 5.235523 2.023285       9.181376 
1 1 1 7   10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   10 16 o 133.8481 3.989040 1534.102       91.17639 1529.072       163.2399 1536.383       109.9205 133.0023 7.214278 133.8598 4.808686 -0.8575592     8.670021 
1 1 1 7   10 17 o 241.2528 4.721593 4991.963       194.5194 4846.155       338.7714 5063.680       237.5891 236.5616 8.386110 242.7214 5.732137 -6.159866      10.15796 
1 1 1 7   10 18 o 74.58025 4.718087 479.4278       59.77887 382.4708       118.6789 512.3906       69.19835 65.11916 11.06856 77.02011 5.293396 -11.90096      12.26919 
1 1 1 7   10 19 o 142.7135 4.295348 1749.065       104.6804 1582.877       184.9608 1827.383       126.9727 134.5565 8.087124 145.7015 5.103222 -11.14497      9.562659 
1 1 1 7   10 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   10 21 o 54.42522 6.077965 260.0016       55.52384 122.2643       104.9629 313.5199       65.42755 37.85162 13.20806 59.71111 6.522674 -21.85949      14.73085 
1 1 1 7   10 22 f 94.02139 4.812542 765.5644       77.00964 690.2838       147.9713 793.5286       90.18571 87.18663 10.12727 95.50682 5.553677 -8.320190      11.55010 
1 1 1 7   10 23 o 25.13202 8.640155 52.41953       44.83562 38.75943       93.45705 56.50341       51.10011 28.96803 11.86205 26.29230 9.213450 2.675726       15.01985 
1 1 1 7   10 24 o 20.61441 8.302649 19.99008       44.90827 -102.9280      93.49507 56.85419       51.20150 20.48926 9.750211 26.21956 9.220643 -5.730297      13.41965 
1 1 1 7   10 25 o 20.61443 8.812176 4.347952       55.04490 115.3211       93.10163 -55.29084      68.25160 35.52191 12.43691 18.66800 8.709417 16.85390       15.18324 
1 1 1 7   10 26 o 58.76923 6.721753 310.9640       66.24481 308.8297       112.2027 312.1060       82.07669 55.54812 12.16539 57.99508 8.543516 -2.446957      14.86568 
1 1 1 7   11 0  o 51.73293 4.724719 230.7829       41.27861 229.1266       62.38715 232.0726       55.05206 51.18600 7.348174 51.67044 6.374348 -0.4844475     9.727691 
1 1 1 7   11 1  o 129.9215 4.181680 1443.162       92.77562 1436.799       128.1053 1450.181       134.5402 129.5553 5.790417 130.1418 6.053874 -0.5864410     8.377250 
1 1 1 7   11 2  o 358.8448 6.907422 11037.35       423.2769 10376.00       2055.250 11066.64       432.5497 329.2007 37.21301 359.2918 7.049960 -30.09116      37.87493 
1 1 1 7   11 3  o 210.3917 4.686649 3786.679       168.3810 3928.254       245.8494 3661.594       231.0887 214.0725 6.725219 206.7001 6.546905 7.372360       9.385655 
1 1 1 7   11 4  o 174.3160 3.793291 2597.964       112.9159 2685.127       199.2398 2556.722       137.0504 176.9747 6.592693 172.8687 4.642607 4.106018       8.063337 
1 1 1 7   11 5  o 328.8426 5.297467 9259.493       297.4803 8918.572       513.5311 9431.674       364.9501 321.7651 9.346002 331.6594 6.443759 -9.894287      11.35208 
1 1 1 7   11 6  o 209.8396 4.285078 3767.171       153.5494 3896.102       262.0461 3699.754       189.4881 213.0120 7.203965 207.8389 5.338919 5.173141       8.966670 
1 1 1 7   11 7  o 52.49277 4.866933 237.9291       43.13093 294.1216       72.56246 207.2293       53.63400 58.02977 7.497854 48.70081 6.620761 9.328957       10.00261 
1 1 1 7   11 8  o 111.2885 3.753063 1059.349       71.32438 914.5314       118.5761 1141.451       89.28188 102.9774 6.780942 115.4742 4.527689 -12.49680      8.153597 
1 1 1 7   11 9  o 150.8711 4.045611 1947.822       104.2299 1936.745       173.7885 1954.044       130.2569 150.1407 6.778301 151.0183 5.050908 -0.8776245     8.453226 
1 1 1 7   11 10 o 160.7061 3.652106 2209.437       100.2253 2082.929       193.0979 2256.086       117.2568 155.5902 7.267636 162.3398 4.229715 -6.749603      8.408866 
1 1 1 7   11 11 o 178.5399 3.453423 2726.742       105.2899 2907.115       206.5044 2663.380       122.3942 183.9058 6.575548 176.3908 4.063339 7.515060       7.729719 
1 1 1 7   11 12 o 199.9033 4.970807 3425.845       169.6871 3414.617       251.9633 3435.163       229.5475 199.0848 7.411346 199.8401 6.726481 -0.7553101     10.00868 
1 1 1 7   11 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   11 14 o 93.79929 4.026127 753.3347       64.48949 919.2321       117.9395 682.5766       77.02424 103.1405 6.733137 89.06824 5.085193 14.07228       8.437673 
1 1 1 7   11 15 o 145.2391 4.158179 1806.924       103.1308 1658.781       176.1396 1884.203       127.2171 138.4654 7.476986 148.2023 5.026768 -9.736877      9.009646 
1 1 1 7   11 16 o 157.4645 4.380246 2125.731       117.7831 2020.092       215.2769 2170.864       140.7119 152.4847 8.298642 158.9980 5.182475 -6.513275      9.783941 
1 1 1 7   11 17 o 75.01846 5.194019 486.1480       66.12916 591.3743       120.2139 440.4894       79.18697 81.98219 8.720728 71.13080 6.594184 10.85139       10.93318 
1 1 1 7   11 18 o 128.4248 4.272559 1416.503       93.69983 1442.903       165.4820 1404.045       113.6787 128.6040 7.568559 127.6762 5.213953 0.9278030      9.190668 
1 1 1 7   11 19 f 36.69609 8.980283 122.9825       55.81643 -183.3422      128.5448 194.1584       61.96264 22.89288 11.03486 46.49625 8.098144 -23.60337      13.68752 
1 1 1 7   11 20 o 138.6245 4.265912 1653.918       100.9843 1732.964       179.1075 1617.080       122.2721 140.5570 7.489074 136.7977 5.234153 3.759308       9.136881 
1 1 1 7   11 21 o 28.43197 8.741159 72.08351       46.55989 202.6471       94.93948 30.73790       53.42573 46.21428 11.94372 23.36796 9.171509 22.84632       15.05885 
1 1 1 7   11 22 o 46.97401 6.406702 196.3406       50.05152 438.2443       120.2972 145.6977       55.04192 68.71354 10.59247 39.79293 8.365526 28.92061       13.49750 
1 1 1 7   11 23 o 25.00827 8.462589 53.29146       42.99191 -18.47124      95.85760 71.36129       48.10101 25.05576 11.14475 28.16262 8.919827 -3.106869      14.27476 
1 1 1 7   11 24 o 49.14270 6.557277 216.6474       53.65518 213.7646       105.2725 217.6591       62.36329 46.22441 12.86463 48.81577 7.739314 -2.591358      15.01318 
1 1 1 7   11 25 o 28.38873 9.623349 71.97727       55.59557 66.51191       119.5748 73.48457       62.79572 32.59133 13.38993 29.00986 10.21050 3.581469       16.83879 
1 1 1 7   12 0  o 164.6142 4.256543 2317.994       119.6537 2363.810       152.3189 2244.159       193.3636 166.1421 5.368739 161.7157 7.001976 4.426346       8.823323 
1 1 1 7   12 1  o 38.88209 7.761383 134.4615       49.72851 123.3724       100.8609 138.0228       57.15878 38.75789 12.96273 39.28581 8.745072 -0.5279160     15.63677 
1 1 1 7   12 2  o 240.5886 4.254853 4952.055       174.8081 4842.194       300.5441 5008.222       214.8979 237.4256 7.412738 241.8302 5.203791 -4.404541      9.056938 
1 1 1 7   12 3  o 169.6566 4.149281 2462.435       120.2113 2738.825       206.3410 2320.428       147.9034 178.6350 6.764210 164.5939 5.262140 14.04111       8.569985 
1 1 1 7   12 4  o 84.94662 3.563823 617.0504       51.69687 604.1433       89.20111 623.5783       63.43690 83.68725 6.287749 85.25099 4.372241 -1.563744      7.658478 
1 1 1 7   12 5  f 185.1418 4.607235 2934.475       145.6622 3040.267       247.8117 2878.629       180.0497 188.0010 7.718975 183.2361 5.754128 4.764938       9.627698 
1 1 1 7   12 6  o 51.73166 5.476653 231.9556       47.64515 163.4016       81.69335 267.2941       58.65356 42.61511 11.11136 55.45176 6.306251 -12.83665      12.77619 
1 1 1 7   12 7  o 128.2772 4.118063 1408.335       90.20788 1362.488       152.7973 1432.864       111.7640 125.6720 7.149474 129.3109 5.061330 -3.638931      8.759683 
1 1 1 7   12 8  o 101.9750 4.082045 890.1044       71.08424 922.5684       122.7320 873.7172       87.19876 103.3376 6.996231 100.8367 5.080264 2.500847       8.646174 
1 1 1 7   12 9  o 140.4223 3.843673 1687.531       92.16894 1608.801       156.8383 1729.064       113.9152 136.7829 6.714570 142.0589 4.695818 -5.275925      8.193666 
1 1 1 7   12 10 o 291.2873 5.258219 7277.666       261.5545 7387.399       444.8105 7219.672       323.3654 292.2344 8.913367 289.7662 6.534973 2.468140       11.05233 
1 1 1 7   12 11 o 39.69429 18.94231 -421.2645      358.1090 -421.2645      358.1090 0.000000       0.000000 39.69429 18.94231 ?        ?        0.000000       18.94231 
1 1 1 7   12 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   12 13 o 218.5044 4.045204 4088.831       150.9393 4136.242       302.2621 4073.080       174.2161 218.7837 8.090342 217.9722 4.680424 0.8114777      9.346657 
1 1 1 7   12 14 o 112.7127 3.820368 1087.828       73.53258 987.2089       135.1665 1130.124       87.63522 106.6924 7.465852 114.8225 4.469405 -8.130081      8.701409 
1 1 1 7   12 15 o 141.8096 4.334703 1724.509       104.9704 1411.159       183.7463 1876.319       127.8948 127.2288 8.506307 147.8027 5.067209 -20.57385      9.901205 
1 1 1 7   12 16 o 52.67813 6.043870 242.4100       53.38445 349.7523       106.7652 206.6259       61.64376 62.29586 10.40305 48.21206 7.749960 14.08380       12.97248 
1 1 1 7   12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   12 18 o 33.14933 8.537199 100.0663       48.62040 28.62468       121.5767 113.6674       53.04706 31.78880 13.31884 35.28099 8.826679 -3.492189      15.97816 
1 1 1 7   12 19 o 81.77574 4.821844 578.9645       67.03687 370.9698       123.7922 665.2680       79.74094 63.03342 11.93767 87.54111 5.359991 -24.50769      13.08577 
1 1 1 7   12 20 o 42.89832 6.981013 164.9203       49.38134 138.9339       100.9106 173.1028       56.62457 39.09463 12.96220 43.71732 7.874518 -4.622692      15.16663 
1 1 1 7   12 21 o 47.11985 6.672322 198.2827       52.18811 109.6435       103.1419 228.7853       60.50492 35.97756 13.03617 50.49779 7.222139 -14.52023      14.90306 
1 1 1 7   12 22 o 23.31563 8.233841 43.78732       40.86876 -71.51124      95.79663 69.44135       45.18727 22.20449 10.34558 27.72171 8.626056 -5.517221      13.46996 
1 1 1 7   12 23 o 48.18107 6.602410 208.5622       52.89378 -133.0739      125.5909 282.2261       58.31815 23.49860 11.21478 56.32829 6.163393 -32.82969      12.79682 
1 1 1 7   12 24 o 47.26982 6.892666 202.8198       54.00130 276.8220       106.2963 177.0764       62.69440 52.60383 12.08695 43.34933 8.770422 9.254501       14.93368 
1 1 1 7   13 0  o 155.6106 3.933114 2071.650       104.5147 1932.140       136.6535 2268.263       162.2271 150.1546 5.329422 162.6322 5.841375 -12.47754      7.907238 
1 1 1 7   13 1  o 249.7404 4.586935 5340.219       195.6201 5200.872       326.4077 5418.322       244.3676 245.8210 7.775702 251.3713 5.692800 -5.550369      9.636883 
1 1 1 7   13 2  o 169.0877 4.012534 2446.548       115.8598 2742.647       195.8991 2287.260       143.6825 178.7211 6.418812 163.3743 5.150133 15.34685       8.229521 
1 1 1 7   13 3  o 132.6962 4.135403 1507.089       93.70837 1585.026       158.7369 1465.400       116.0969 135.6246 6.876386 130.7564 5.199431 4.868164       8.620833 
1 1 1 7   13 4  o 267.3571 4.772080 6123.412       217.8720 5840.160       377.0651 6265.377       266.9439 260.1718 8.486998 270.2290 5.784771 -10.05713      10.27096 
1 1 1 7   13 5  o 271.0811 4.981109 6298.122       230.5830 6187.920       399.4839 6353.180       282.3690 267.6520 8.740310 272.0126 6.078917 -4.360565      10.64642 
1 1 1 7   13 6  o 133.3015 3.634960 1520.351       82.74402 1407.679       143.6773 1576.265       101.2136 127.7947 6.606338 135.6680 4.368772 -7.873360      7.920219 
1 1 1 7   13 7  o 233.9363 4.684132 4689.497       187.1236 4755.117       320.5104 4655.563       230.4831 234.7640 7.994820 232.8669 5.796013 1.897110       9.874762 
1 1 1 7   13 8  o 229.1425 14.03326 4648.896       546.4728 3934.702       1100.828 4882.453       629.5172 194.6181 34.38066 233.7016 15.86810 -39.08347      37.86590 
1 1 1 7   13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   13 11 o 254.5223 4.967581 5556.492       215.9100 5654.567       374.9615 5507.843       264.0852 255.6059 8.590411 253.1111 6.109856 2.494797       10.54161 
1 1 1 7   13 12 o 92.09634 3.867086 726.3076       60.81744 894.9399       126.1978 675.2955       69.40932 101.5941 7.323244 88.63185 4.601748 12.96221       8.649045 
1 1 1 7   13 13 o 55.17728 5.606284 264.3996       52.09106 286.0287       127.1832 260.0400       57.10007 55.69832 13.51019 54.60685 6.235118 1.091469       14.87958 
1 1 1 7   13 14 o 106.4209 4.110390 971.2759       74.69849 1070.657       158.9018 943.0840       84.63293 110.6381 8.474954 104.7903 4.729511 5.847733       9.705314 
1 1 1 7   13 15 o 78.17711 4.680180 527.2922       62.19315 578.3472       139.2874 514.5786       69.50671 80.34180 10.39622 77.11015 5.310918 3.231651       11.67421 
1 1 1 7   13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   13 17 o 46.66840 5.716361 191.1663       44.60344 373.1277       102.2586 148.4132       49.56719 64.26376 9.613543 40.63654 7.416188 23.62722       12.14167 
1 1 1 7   13 18 o 66.08917 4.908234 379.2284       54.99782 367.7906       113.6894 382.7227       62.84004 63.08943 10.94976 66.22839 5.609057 -3.138954      12.30279 
1 1 1 7   13 19 o 138.4767 4.286103 1653.664       101.3541 1507.081       178.7852 1723.083       123.0349 130.3410 8.072181 141.0603 5.107653 -10.71931      9.552394 
1 1 1 7   13 20 o 114.6002 4.404852 1135.428       86.20222 946.5876       153.4931 1222.427       104.1836 102.3960 8.865655 118.6431 5.142272 -16.24707      10.24904 
1 1 1 7   13 21 o 124.8398 4.223338 1348.646       90.03487 1338.929       160.8838 1353.077       108.6401 122.2701 7.745319 124.6635 5.103272 -2.393433      9.275416 
1 1 1 7   13 22 o 23.99071 8.285344 48.31472       41.25153 48.78029       117.2428 48.24894       44.06944 31.49695 13.12809 24.24118 8.551315 7.255770       15.66753 
1 1 1 7   13 23 f 37.86357 8.403225 135.1127       52.91496 76.63306       124.3092 148.0539       58.47749 33.57930 13.70742 39.48844 8.886614 -5.909142      16.33601 
1 1 1 7   14 0  o 37.86078 7.209330 127.4346       44.90839 107.5900       65.62080 144.9165       61.59070 34.91822 10.30023 40.14540 9.183387 -5.227184      13.79961 
1 1 1 7   14 1  o 149.2057 3.868222 1905.392       98.55956 1757.794       164.1198 1988.648       123.2612 142.9647 6.722492 152.3393 4.738192 -9.374634      8.224498 
1 1 1 7   14 2  o 30.57424 8.159362 83.49005       43.39319 51.41391       58.76343 121.9561       64.35097 26.93827 9.827704 36.87976 9.976611 -9.941488      14.00416 
1 1 1 7   14 3  o 107.4349 4.221691 988.4489       77.45216 852.0093       130.8892 1061.966       96.07899 99.09344 7.797945 111.2868 5.055718 -12.19337      9.293450 
1 1 1 7   14 4  o 98.60110 4.094313 832.4929       68.93896 723.0967       120.9735 885.1051       83.89429 91.22109 7.842164 101.6117 4.834891 -10.39063      9.212801 
1 1 1 7   14 5  o 157.4470 13.39978 2197.306       356.8486 2401.075       606.2290 2089.266       441.4270 159.3391 22.94117 151.6478 17.35862 7.691299       28.76836 
1 1 1 7   14 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   14 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   14 8  o 138.4656 4.115807 1642.063       97.31927 1674.768       166.1050 1624.968       120.0893 139.2617 7.007114 137.6288 5.109675 1.632935       8.672279 
1 1 1 7   14 9  o 148.6894 4.156199 1893.981       105.5305 2008.581       181.8173 1835.760       129.5939 152.6623 6.974313 146.2506 5.189018 6.411743       8.692924 
1 1 1 7   14 10 o 59.67023 5.162088 307.8792       52.08182 428.6074       90.90434 248.8857       63.54507 70.02261 7.731221 53.25282 7.169979 16.76979       10.54421 
1 1 1 7   14 11 o 101.0689 4.448443 876.0699       76.77636 878.0996       132.1899 875.0367       94.31479 100.4427 7.767236 100.7438 5.503084 -0.3011017     9.519133 
1 1 1 7   14 12 o 52.14721 6.863751 238.9206       59.63651 303.0187       124.5243 219.8437       67.93385 57.26002 13.02840 49.66435 8.303270 7.595669       15.44938 
1 1 1 7   14 13 o 94.67795 4.310085 769.7615       69.68456 672.6775       149.7692 796.5858       78.72504 86.79970 10.30556 96.24893 4.789775 -9.449234      11.36427 
1 1 1 7   14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   14 15 o 77.99918 4.298213 524.8338       57.02961 515.4982       120.8797 527.5067       64.68054 75.80722 9.549637 78.08455 4.875102 -2.277328      10.72204 
1 1 1 7   14 16 o 99.96864 3.743055 858.7527       63.89869 957.4753       136.4114 831.0013       72.32429 104.2250 7.719262 98.23818 4.311237 5.986824       8.841594 
1 1 1 7   14 17 o 50.42141 4.782519 221.5316       40.68618 236.9202       104.0863 218.7562       44.20308 49.83796 12.30403 49.99773 5.255947 -0.1597710     13.37962 
1 1 1 7   14 18 o 43.46915 5.474907 166.6149       39.73906 281.8937       101.0065 145.5034       43.22496 54.64205 11.20103 40.31233 6.500133 14.32972       12.95047 
1 1 1 7   14 19 o 64.25110 4.414614 358.8455       48.14288 296.5188       110.9213 373.3118       53.43867 55.32304 12.07966 65.43045 4.816571 -10.10741      13.00452 
1 1 1 7   14 20 o 150.4144 3.629579 1951.869       93.22824 2111.192       191.2926 1902.239       106.7660 154.0583 7.271286 148.2222 4.218111 5.836121       8.406192 
1 1 1 7   14 21 o 51.75381 5.183439 236.1413       45.19435 275.2504       107.8512 227.8110       49.77537 52.61428 12.23519 50.60045 5.869488 2.013832       13.57022 
1 1 1 7   14 22 o 40.99116 6.589173 152.8475       44.56103 72.60294       124.0063 164.7458       47.75053 33.18161 13.63451 42.50522 6.808419 -9.323612      15.23990 
1 1 1 7   15 0  o 86.80895 12.52138 674.2696       180.2499 819.6033       233.1842 458.5088       284.1203 95.07199 14.84845 69.89976 21.61017 25.17223       26.21976 
1 1 1 7   15 1  o 53.54446 16.61230 258.2638       167.7304 258.2638       167.7304 0.000000       0.000000 53.54446 16.61230 ?        ?        0.000000       16.61230 
1 1 1 7   15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   15 5  o 153.4617 4.295178 2017.843       112.5597 2330.144       201.9174 1877.038       135.5802 164.3944 7.192582 147.8657 5.369414 16.52867       8.975737 
1 1 1 7   15 6  o 272.5940 5.136897 6377.724       239.1217 6276.186       415.7493 6427.918       292.3099 268.9492 9.052311 273.3196 6.262831 -4.370483      11.00761 
1 1 1 7   15 7  o 53.29535 5.281558 246.2444       47.43480 261.8458       84.71886 239.1199       57.25006 54.13000 9.512320 52.29490 6.554849 1.835106       11.55207 
1 1 1 7   15 8  o 106.0342 4.138290 963.5745       74.93228 852.5684       128.4924 1020.780       92.24097 99.00880 7.659376 109.0485 4.953386 -10.03971      9.121517 
1 1 1 7   15 9  o 120.0625 4.035332 1235.687       82.73489 1321.386       152.7820 1200.129       98.41353 123.3998 7.282568 118.2151 4.875062 5.184769       8.763676 
1 1 1 7   15 10 o 105.9324 4.680637 963.9786       84.67117 994.0442       141.8727 947.3452       105.5247 106.7177 7.839919 104.6606 5.928668 2.057030       9.829213 
1 1 1 7   15 11 o 95.23420 4.913881 782.4452       79.64101 1098.118       133.3002 607.2160       99.31518 112.3195 6.984416 83.38384 7.040635 28.93564       9.917288 
1 1 1 7   15 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   15 13 o 104.4869 4.005443 938.1632       71.46842 930.8936       143.1220 940.5781       82.48909 102.7288 8.227577 104.5106 4.622044 -1.781868      9.436965 
1 1 1 7   15 14 f 79.85420 4.285645 550.5186       58.22725 582.5540       120.2057 540.6973       66.55696 80.74810 8.863231 78.98932 4.959442 1.758781       10.15642 
1 1 1 7   15 15 o 34.93799 7.235964 110.7010       41.75094 202.7008       97.06378 89.81487       46.24797 46.18301 12.14556 31.33424 8.449835 14.84878       14.79576 
1 1 1 7   15 16 o 62.22297 4.446578 335.9083       46.93621 446.7555       109.0794 310.7211       51.99601 70.10608 9.344064 59.66758 5.153630 10.43850       10.67106 
1 1 1 7   15 17 o 117.5447 3.539949 1189.415       71.05623 1406.313       152.6932 1129.462       80.27817 126.0769 7.121357 114.3819 4.109966 11.69500       8.222260 
1 1 1 7   15 18 o 69.16709 5.135952 418.7849       60.22976 472.6044       132.8794 404.8686       67.56947 70.34048 11.45681 67.73657 5.900445 2.603905       12.88696 
1 1 1 7   15 19 o 57.79800 9.921716 314.9798       94.39972 214.5372       128.4027 433.1265       139.2599 45.74057 14.58279 66.11478 12.79716 -20.37420      19.40167 
1 1 1 7   15 20 o 30.40779 11.83062 68.85641       88.29047 -1.737634      118.4719 157.0394       132.4109 28.25555 12.48723 40.22944 14.74080 -11.97389      19.31896 
1 1 1 7   15 21 o 34.83853 12.32077 114.6229       91.54031 180.2275       123.0347 33.27499       137.0042 41.70636 14.31423 31.61187 13.71062 10.09449       19.82116 
1 1 1 7   16 0  o 80.57149 5.095649 559.4143       69.74931 493.1060       111.8756 601.5761       89.20947 74.88541 8.924328 83.36679 6.313200 -8.481384      10.93161 
1 1 1 7   16 1  o 115.0945 5.186316 1137.318       101.9332 1133.270       140.8829 1141.764       147.6668 114.3671 7.251167 114.7194 7.580519 -0.3523788     10.49017 
1 1 1 7   16 2  o 30.75652 12.59690 32.77864       105.4209 0.000000       0.000000 32.77864       105.4209 ?        ?        30.75652 12.59690 0.000000       12.59690 
1 1 1 7   16 3  o 47.51262 7.928494 200.3474       62.06129 146.5908       113.4596 223.2980       74.13499 41.44271 13.74475 49.98267 9.017415 -8.539959      16.43873 
1 1 1 7   16 4  o 289.3146 5.345609 7191.949       264.1006 7089.400       457.2971 7243.270       323.5049 285.3868 9.383452 289.8956 6.534876 -4.508728      11.43476 
1 1 1 7   16 5  o 168.2996 4.360203 2429.382       125.3117 2560.109       215.2003 2362.315       154.1403 172.0651 7.323998 165.7517 5.445731 6.313400       9.126716 
1 1 1 7   16 6  o 138.5141 4.263787 1645.828       100.8536 1789.175       184.6580 1584.891       120.3966 143.5159 7.561383 135.7732 5.192761 7.742722       9.172747 
1 1 1 7   16 7  o 156.5094 4.225151 2102.103       112.9236 2164.207       198.5106 2072.392       137.3034 157.9951 7.357635 155.2021 5.180620 2.792923       8.998533 
1 1 1 7   16 8  o 51.95612 5.911183 235.9573       51.51244 176.9013       83.86740 271.7334       65.27664 43.82753 11.17236 55.55523 7.038532 -11.72770      13.20464 
1 1 1 7   16 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   16 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   16 11 o 107.0060 4.687167 986.6929       85.64864 1071.071       143.7945 940.2974       106.6266 110.3953 7.675359 103.9822 6.030787 6.413033       9.761226 
1 1 1 7   16 12 o 111.6452 4.548167 1074.600       86.71183 938.4056       160.0684 1131.168       103.1595 102.4328 9.250741 114.3543 5.282684 -11.92153      10.65284 
1 1 1 7   16 13 o 104.9077 3.986469 947.4435       71.41634 1110.250       140.9543 891.2158       82.83571 112.2263 7.396449 101.5664 4.776013 10.65993       8.804417 
1 1 1 7   16 14 o 16.91520 7.450353 -9.739700      41.82584 2.576563       89.82957 -13.14892      47.26146 25.88938 11.16527 17.75597 7.865025 8.133402       13.65730 
1 1 1 7   16 15 o 127.4412 4.369449 1403.935       95.09077 1446.047       173.6395 1385.895       113.6473 127.2774 8.030224 126.2681 5.270639 1.009277       9.605422 
1 1 1 7   16 16 o 52.87360 4.977468 245.1192       44.41269 402.3029       104.7987 210.7093       49.03361 65.87691 9.597832 48.68365 6.026845 17.19326       11.33319 
1 1 1 7   16 17 o 30.40681 7.373212 85.59030       37.88980 77.38795       97.19709 87.06011       41.14479 32.07811 12.43179 30.59404 7.839748 1.484064       14.69732 
1 1 1 7   16 18 o 24.63131 10.44858 15.69182       76.33173 2.856403       94.89907 39.21460       128.4699 26.00892 11.34448 31.67752 13.49990 -5.668596      17.63362 
1 1 1 7   16 19 o 28.34413 11.14241 56.79898       78.97324 33.16275       98.47421 99.39923       132.2025 28.25340 11.91976 35.49499 14.26315 -7.241589      18.58812 
1 1 1 7   17 0  o 97.06730 4.566855 808.9889       75.69934 769.8249       123.5789 832.5102       95.77042 93.88762 7.777909 98.14707 5.739151 -4.259453      9.666112 
1 1 1 7   17 1  o 86.51878 4.585503 644.6421       67.50661 633.8365       109.7155 651.2250       85.63544 85.14951 7.626210 86.73682 5.815265 -1.587311      9.590431 
1 1 1 7   17 2  o 110.3393 4.659265 1046.095       87.79089 932.7893       152.6984 1102.039       107.2972 103.0281 8.762334 113.1015 5.555439 -10.07335      10.37504 
1 1 1 7   17 3  o 35.10082 11.46214 106.5345       79.01684 19.01025       109.0574 203.2577       114.6453 29.94802 12.58442 46.87650 13.55416 -16.92847      18.49549 
1 1 1 7   17 4  o 92.09501 5.829158 735.1458       91.20061 0.000000       0.000000 735.1458       91.20061 ?        ?        92.09501 5.829158 0.000000       5.829158 
1 1 1 7   17 5  o 146.5694 4.241049 1845.970       106.1496 1749.436       184.4854 1893.746       129.7856 141.4771 7.664733 148.2370 5.127056 -6.759827      9.221434 
1 1 1 7   17 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   17 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   17 8  o 93.68240 5.488777 761.5197       87.42508 968.3563       216.5725 721.2532       95.55676 102.4317 12.65005 90.96535 6.188323 11.46636       14.08259 
1 1 1 7   17 9  o 119.0995 5.090212 1225.782       103.5256 1441.234       200.4969 1147.457       120.8873 127.0802 9.303730 114.7455 6.192326 12.33471       11.17606 
1 1 1 7   17 10 o 53.73467 8.427111 260.8082       74.78446 430.5067       119.6429 151.9905       95.80708 68.43118 10.57966 40.41540 12.55784 28.01579       16.42037 
1 1 1 7   17 11 o 138.5162 4.476507 1656.315       105.8868 1596.018       176.3327 1690.320       132.4198 134.3319 7.719358 139.5188 5.557999 -5.186905      9.512090 
1 1 1 7   17 12 o 64.70922 6.310994 369.2567       68.84975 374.1682       109.1215 366.0084       88.74371 63.49077 10.42668 63.67668 8.363515 -0.1859093     13.36653 
1 1 1 7   17 13 o 30.49313 9.255818 85.11045       52.42083 144.9377       94.03794 58.13807       63.14127 39.09990 12.48121 27.53597 10.16509 11.56394       16.09689 
1 1 1 7   17 14 o 66.67258 5.007842 388.8519       56.59988 537.9251       128.5275 352.9874       63.04178 75.92570 10.16841 63.20727 5.909189 12.71844       11.76074 
1 1 1 7   17 15 o 81.12347 4.091054 571.1445       56.49142 537.8444       122.1748 580.2000       63.71111 76.02001 9.627092 81.59556 4.591084 -5.575546      10.66578 
1 1 1 7   17 16 o 38.33932 5.869769 132.0037       37.20644 241.1064       100.5143 114.6810       40.05137 49.19450 12.05837 35.37238 6.878255 13.82213       13.88217 
1 1 1 7   17 17 o 28.86509 11.64159 52.81434       88.42231 -166.5643      119.2611 320.6194       131.7683 21.39072 10.38666 55.20176 13.96727 -33.81104      17.40596 
1 1 1 7   17 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   18 3  o 46.76183 7.778724 196.2831       59.93363 291.5276       113.5933 159.5408       70.55306 55.68036 12.27694 41.53414 10.05505 14.14622       15.86906 
1 1 1 7   18 4  o 55.01503 8.457757 272.2542       76.91402 189.1376       114.8105 339.9283       103.5974 44.84996 13.71595 60.92830 10.32575 -16.07833      17.16824 
1 1 1 7   18 5  o 75.98595 5.361285 502.1162       69.12083 688.4808       126.8866 423.4771       82.42390 87.90229 8.561728 69.27236 7.066685 18.62993       11.10141 
1 1 1 7   18 6  f 31.45540 12.71657 51.17986       105.7783 0.000000       0.000000 51.17986       105.7783 ?        ?        31.45540 12.71657 0.000000       12.71657 
1 1 1 7   18 7  o 125.4461 4.957732 1361.330       106.2043 1501.261       231.7460 1324.128       119.4907 128.3853 10.66708 123.4746 5.667016 4.910683       12.07898 
1 1 1 7   18 8  o 45.95032 9.616294 195.9721       73.03433 145.1042       160.5288 209.2495       82.01392 42.06266 16.06008 47.23600 10.44484 -5.173336      19.15779 
1 1 1 7   18 9  o 121.3670 4.868785 1275.803       100.9075 1353.649       202.3163 1250.026       116.4219 122.0860 9.786543 119.8240 5.689692 2.261948       11.32029 
1 1 1 7   18 10 o 69.88597 6.205983 430.8286       73.29259 464.8145       204.5908 425.8248       78.50286 65.87291 17.77595 69.28691 6.719332 -3.414001      19.00352 
1 1 1 7   18 11 o 63.29321 6.241993 354.9583       66.58710 494.0350       171.0138 330.1055       72.29221 69.71167 14.82190 60.69054 7.110135 9.021130       16.43906 
1 1 1 7   18 12 o 25.86139 8.877535 57.15062       47.32444 167.4281       93.47675 19.14412       54.87685 41.24660 12.32417 22.02769 9.062897 19.21891       15.29776 
1 1 1 7   18 13 o 13.30493 6.417012 -64.06220      43.61975 -58.31828      87.92803 -65.93723      50.23730 21.56182 10.00052 14.63899 7.015182 6.922839       12.21569 
1 1 1 7   18 14 o 28.59138 8.107430 76.14063       41.40548 160.1001       96.67097 57.27758       45.82126 40.08231 12.63994 25.66842 8.736371 14.41388       15.36529 
1 1 1 7   18 15 o 14.39469 6.542920 -18.42669      35.12167 6.657186       93.82285 -22.51454      37.87555 25.90648 11.29043 14.69646 6.724017 11.21002       13.14101 
1 1 1 7   18 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   19 0  o 70.20229 5.272557 429.4483       62.74668 493.0147       104.3663 393.4650       78.52299 74.16508 8.388052 66.66436 7.002272 7.500725       10.92663 
1 1 1 7   19 1  o 37.63260 7.799078 129.2399       48.47311 63.59095       80.11369 167.1529       60.88176 29.93572 11.36559 42.67339 8.650782 -12.73766      14.28330 
1 1 1 7   19 2  o 105.8556 4.468290 967.6340       80.77127 977.2232       143.6920 963.2046       97.66074 104.7668 8.094469 105.1897 5.455550 -0.4228516     9.761325 
1 1 1 7   19 3  o 58.65002 6.447347 304.1715       63.50718 333.1559       97.67812 282.9475       83.58510 60.12815 9.854485 55.60856 9.118207 4.519592       13.42582 
1 1 1 7   19 4  o 76.68626 5.140913 512.3075       66.93276 528.9443       110.8041 502.7490       83.98763 76.59044 8.621798 75.48893 6.581061 1.101509       10.84646 
1 1 1 7   19 5  o 55.43288 7.226326 275.0614       66.77803 291.4512       157.3374 271.4603       73.75017 53.40972 15.99597 54.73411 8.138136 -1.324390      17.94715 
1 1 1 7   19 6  o 79.10789 6.020800 550.2775       80.72411 504.0854       172.1115 563.3046       91.40098 70.93961 14.69102 79.74051 6.776487 -8.800903      16.17859 
1 1 1 7   19 7  o 38.83221 10.12538 143.2615       67.83667 82.20799       159.5640 156.7310       74.94699 37.16608 15.38831 40.46691 10.68702 -3.300831      18.73533 
1 1 1 7   19 8  o 41.28468 13.37086 166.9430       107.6251 0.000000       0.000000 166.9430       107.6251 ?        ?        41.28468 13.37086 0.000000       13.37086 
1 1 1 7   19 9  o 27.88391 10.45178 59.83130       67.25658 255.1635       161.7186 18.98077       73.95574 48.95041 16.41381 24.66166 10.36310 24.28874       19.41152 
1 1 1 7   19 10 o 56.09869 8.394283 290.3601       77.94376 186.0504       205.1583 307.9559       84.26176 44.38203 17.79142 57.57173 8.854424 -13.18969      19.87298 
1 1 1 7   19 11 o 43.10711 9.096815 175.9877       64.85948 371.9886       202.5959 153.6054       68.46271 56.44027 18.34985 39.87040 10.05664 16.56987       20.92494 
1 1 1 7   19 12 f 14.82353 7.082609 -62.12764      50.38855 38.09583       162.7449 -72.75397      52.99252 33.86949 14.81234 14.80107 7.121956 19.06842       16.43556 
1 1 1 7   19 13 o 77.25622 5.643791 529.5724       73.94189 553.0660       219.9389 526.5786       78.51182 67.46053 18.52566 76.83221 6.032470 -9.371689      19.48309 
1 1 1 7   20 0  o 78.79188 4.825739 541.1650       64.61739 375.4836       110.7290 626.7238       79.57142 63.04220 10.66599 84.54472 5.542153 -21.50252      12.01994 
1 1 1 7   20 1  o 87.66114 4.863410 669.8677       72.51745 506.3827       110.4196 793.8606       96.16252 74.38915 8.867023 94.97743 5.959221 -20.58828      10.68346 
1 1 1 7   20 2  o 23.19095 9.414157 25.40880       58.22952 59.87102       96.97839 5.979527       72.81681 30.65957 12.25279 23.51686 10.09627 7.142708       15.87657 
1 1 1 7   20 3  o 20.30046 9.098569 -20.81602      65.19829 -122.5444      178.4240 -5.139405      70.04198 29.35419 13.81821 22.21741 9.716899 7.136784       16.89263 
1 1 1 7   20 4  o 59.51871 7.901437 323.0017       78.32352 402.2212       190.2063 306.8261       85.94868 59.97684 17.49218 57.42970 9.064690 2.547138       19.70139 
1 1 1 7   20 5  o 73.50726 6.594707 482.2986       81.89995 636.0490       199.4719 451.1241       89.82003 77.68957 15.57770 70.59415 7.568848 7.095413       17.31913 
1 1 1 7   20 6  o 67.61922 6.400063 408.0841       73.02279 509.1348       167.6592 384.4274       81.12130 70.03276 14.49678 65.13197 7.426325 4.900795       16.28825 
1 1 1 7   20 7  o 89.41068 5.697671 705.7340       86.54076 700.2605       180.9735 707.3567       98.53736 83.59497 13.10854 89.06386 6.524245 -5.468887      14.64239 
1 1 1 7   20 8  o 37.87755 10.01720 139.1502       65.78700 92.99809       162.9547 148.1370       71.90736 36.90678 15.43801 38.90612 10.55504 -1.999340      18.70137 
1 1 1 7   20 9  o 68.08715 6.595102 416.9293       75.71998 359.3942       174.5080 430.2742       84.04382 55.79256 16.87711 68.81608 7.261419 -13.02352      18.37294 
1 1 1 7   20 10 o 21.70618 9.677999 -13.50638      72.74611 0.000000       0.000000 -13.50638      72.74611 ?        ?        21.70618 9.677999 0.000000       9.677999 
1 1 1 7   21 0  o 23.91351 9.271441 38.59980       54.07780 48.41571       87.75487 32.59002       68.66493 28.45370 11.55474 25.02456 10.19828 3.429132       15.41159 
1 1 1 7   21 1  o 84.75473 5.036353 630.6558       72.56463 733.9362       111.4713 554.7036       95.59269 90.13129 7.305298 78.33549 7.227523 11.79579       10.27640 
1 1 1 7   21 2  o 88.84058 5.048293 693.0473       76.27137 684.7817       121.9691 698.3550       97.73899 86.26383 8.385777 88.37473 6.522558 -2.110901      10.62379 
1 1 1 7   21 3  o 58.56784 6.804599 310.2325       66.78717 341.6751       116.7904 294.9539       81.41254 58.26369 12.13258 56.08324 8.789542 2.180454       14.98184 
1 1 1 7   21 4  o 43.70861 8.702913 181.1620       62.67509 245.2091       94.48537 130.8377       83.75375 49.47163 11.41624 36.37342 11.79674 13.09820       16.41626 
1 1 1 7   21 5  o 98.12467 4.955733 846.3760       82.77142 697.5544       145.6396 917.3793       100.5972 85.21476 10.21176 101.6212 5.821180 -16.40646      11.75441 
1 1 1 7   21 6  o 66.02653 5.919525 389.8570       66.03448 486.0202       124.9540 352.5934       77.78356 70.46149 10.72303 61.92991 7.508544 8.531578       13.09051 
1 1 1 7   21 7  o 42.61989 10.78104 182.1367       78.52123 49.27706       116.7270 291.9490       106.1208 30.58790 12.94502 53.44452 11.92993 -22.85662      17.60389 
1 1 1 8   0  0  o 146.9895 6.693769 1859.024       167.2258 1859.024       167.2258 1859.024       167.2258 146.9895 6.693769 146.9895 6.693769 0.000000       0.000000 
1 1 1 8   0  1  o 88.15907 4.417110 669.0141       66.11694 669.0141       66.11694 669.0141       66.11694 88.15907 4.417110 88.15907 4.417110 0.000000       0.000000 
1 1 1 8   0  2  o 292.8965 6.365864 7344.295       318.0608 7344.295       318.0608 7344.295       318.0608 292.8965 6.365864 292.8965 6.365864 0.000000       0.000000 
1 1 1 8   0  3  o 270.7149 5.904354 6271.828       272.6591 6271.828       272.6591 6271.828       272.6591 270.7149 5.904354 270.7149 5.904354 0.000000       0.000000 
1 1 1 8   0  4  o 64.38309 4.076597 358.2804       44.40802 358.2804       44.40802 358.2804       44.40802 64.38309 4.076597 64.38309 4.076597 0.000000       0.000000 
1 1 1 8   0  5  o 163.9017 4.921463 2300.773       137.4651 2300.773       137.4651 2300.773       137.4651 163.9017 4.921463 163.9017 4.921463 0.000000       0.000000 
1 1 1 8   0  6  o 610.3117 10.89107 31887.10       1134.259 31887.10       1134.259 31887.10       1134.259 610.3117 10.89107 610.3117 10.89107 0.000000       0.000000 
1 1 1 8   0  7  o 309.0919 5.776826 8169.742       304.6748 8169.742       304.6748 8169.742       304.6748 309.0919 5.776826 309.0919 5.776826 0.000000       0.000000 
1 1 1 8   0  8  o 258.6250 5.745344 5722.309       253.4570 5722.309       253.4570 5722.309       253.4570 258.6250 5.745344 258.6250 5.745344 0.000000       0.000000 
1 1 1 8   0  9  o 494.2157 8.663951 20899.55       730.6904 20899.55       730.6904 20899.55       730.6904 494.2157 8.663951 494.2157 8.663951 0.000000       0.000000 
1 1 1 8   0  10 o 182.7005 4.799191 2857.139       149.4968 2857.139       149.4968 2857.139       149.4968 182.7005 4.799191 182.7005 4.799191 0.000000       0.000000 
1 1 1 8   0  11 o 436.3558 7.508062 16292.19       559.0884 16292.19       559.0884 16292.19       559.0884 436.3558 7.508062 436.3558 7.508062 0.000000       0.000000 
1 1 1 8   0  12 o 403.4503 7.417947 13933.15       510.6748 13933.15       510.6748 13933.15       510.6748 403.4503 7.417947 403.4503 7.417947 0.000000       0.000000 
1 1 1 8   0  13 o 242.8401 5.497475 5048.087       227.7103 5048.087       227.7103 5048.087       227.7103 242.8401 5.497475 242.8401 5.497475 0.000000       0.000000 
1 1 1 8   0  14 o 115.4818 6.256391 1150.540       122.5510 1150.540       122.5510 1150.540       122.5510 115.4818 6.256391 115.4818 6.256391 0.000000       0.000000 
1 1 1 8   0  15 o 29.00051 15.24112 105.2584       99.95692 105.2584       99.95692 105.2584       99.95692 29.00051 15.24112 29.00051 15.24112 0.000000       0.000000 
1 1 1 8   0  16 o 288.3335 6.385725 7125.522       314.0698 7125.522       314.0698 7125.522       314.0698 288.3335 6.385725 288.3335 6.385725 0.000000       0.000000 
1 1 1 8   0  17 o 228.1762 5.630406 4462.723       219.0858 4462.723       219.0858 4462.723       219.0858 228.1762 5.630406 228.1762 5.630406 0.000000       0.000000 
1 1 1 8   0  18 o 254.8416 5.755805 5566.849       250.1945 5566.849       250.1945 5566.849       250.1945 254.8416 5.755805 254.8416 5.755805 0.000000       0.000000 
1 1 1 8   0  19 o 212.9092 19.55485 4077.977       697.1810 4077.977       697.1810 4077.977       697.1810 212.9092 19.55485 212.9092 19.55485 0.000000       0.000000 
1 1 1 8   0  20 o 254.5023 6.196130 5557.284       268.9257 5557.284       268.9257 5557.284       268.9257 254.5023 6.196130 254.5023 6.196130 0.000000       0.000000 
1 1 1 8   0  21 o 161.5465 5.543258 2242.231       152.5120 2242.231       152.5120 2242.231       152.5120 161.5465 5.543258 161.5465 5.543258 0.000000       0.000000 
1 1 1 8   0  22 f 34.94353 14.54839 149.2250       86.65906 149.2250       86.65906 149.2250       86.65906 34.94353 14.54839 34.94353 14.54839 0.000000       0.000000 
1 1 1 8   0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  24 o 13.70505 9.422933 -49.70028      72.06196 -49.70028      72.06196 -49.70028      72.06196 13.70505 9.422933 13.70505 9.422933 0.000000       0.000000 
1 1 1 8   0  25 o 246.9954 6.229929 5263.065       262.3911 5263.065       262.3911 5263.065       262.3911 246.9954 6.229929 246.9954 6.229929 0.000000       0.000000 
1 1 1 8   0  26 o 237.2170 6.163356 4862.374       249.2882 4862.374       249.2882 4862.374       249.2882 237.2170 6.163356 237.2170 6.163356 0.000000       0.000000 
1 1 1 8   0  27 o 25.23469 13.12940 84.26164       73.61733 84.26164       73.61733 84.26164       73.61733 25.23469 13.12940 25.23469 13.12940 0.000000       0.000000 
1 1 1 8   0  28 o 69.14648 8.440767 436.2034       95.69892 436.2034       95.69892 436.2034       95.69892 69.14648 8.440767 69.14648 8.440767 0.000000       0.000000 
1 1 1 8   0  29 o 73.67188 8.731604 497.2190       105.7865 497.2190       105.7865 497.2190       105.7865 73.67188 8.731604 73.67188 8.731604 0.000000       0.000000 
1 1 1 8   1  0  o 256.8866 5.484092 5646.248       240.5737 5773.524       339.4071 5517.740       341.0440 259.5092 7.658897 253.6664 7.873094 5.842773       10.98382 
1 1 1 8   1  1  o 191.7633 4.215263 3143.512       138.0359 3369.786       235.1940 3024.617       170.4868 198.3449 6.943897 188.0369 5.309402 10.30794       8.741137 
1 1 1 8   1  2  o 143.7293 3.754581 1765.327       92.15285 1699.860       156.9029 1799.802       113.8601 140.9206 6.520103 145.0959 4.595306 -4.175217      7.976753 
1 1 1 8   1  3  f 126.8249 3.243670 1374.045       70.24946 1395.886       99.62356 1352.446       99.07419 127.7971 4.564984 125.7915 4.612191 2.005547       6.489329 
1 1 1 8   1  4  o 460.0468 6.365315 18098.29       500.0620 18048.24       707.2726 18148.32       707.1163 459.0579 9.022303 460.3330 8.995323 -1.275116      12.74040 
1 1 1 8   1  5  o 221.1140 3.853047 4176.394       145.4864 4097.431       206.0344 4254.920       205.4644 218.9617 5.510229 223.1345 5.392224 -4.172714      7.709650 
1 1 1 8   1  6  o 219.6199 3.830943 4119.979       143.6744 4140.735       203.4503 4099.329       202.9232 220.1271 5.412312 219.0233 5.425496 1.103821       7.663493 
1 1 1 8   1  7  o 109.2559 2.902087 1019.452       54.14487 940.1090       75.72442 1102.452       77.44953 104.9039 4.227099 113.6042 3.992294 -8.700317      5.814360 
1 1 1 8   1  8  o 213.4881 3.521643 3892.993       128.3870 3918.401       179.0887 3866.128       184.1503 214.1459 4.897297 212.7071 5.069773 1.438766       7.048838 
1 1 1 8   1  9  o 490.5656 6.571585 20577.16       550.5149 21319.66       778.8260 19835.72       778.2656 499.0058 9.139721 481.2775 9.469573 17.72830       13.16082 
1 1 1 8   1  10 o 420.3846 4.961364 15102.99       356.1638 15301.83       503.8928 14904.46       503.4910 422.9539 6.976588 417.4166 7.063501 5.537323       9.928032 
1 1 1 8   1  11 o 58.46404 4.008125 293.4269       39.77426 297.5549       56.94972 289.4960       55.57411 58.70910 5.754445 57.90812 5.693537 0.8009796      8.095059 
1 1 1 8   1  12 f 237.4518 3.870857 4818.229       156.9584 4907.263       222.0923 4729.387       221.8533 239.5385 5.429455 235.1502 5.524826 4.388290       7.746140 
1 1 1 8   1  13 o 246.7935 4.405339 5207.451       185.6585 5120.382       230.6399 5367.722       312.9181 244.6274 5.521122 250.2653 7.321973 -5.637817      9.170282 
1 1 1 8   1  14 o 190.6277 4.078051 3107.183       132.7518 3308.214       222.5345 2996.119       165.4064 196.4662 6.632966 187.1078 5.176766 9.358383       8.413985 
1 1 1 8   1  15 o 256.7125 4.728521 5639.611       207.2880 5589.346       347.0618 5667.486       258.4498 255.0357 7.969002 257.1865 5.884724 -2.150833      9.906309 
1 1 1 8   1  16 o 64.46423 5.712910 358.9359       62.23802 350.5900       78.77415 372.8001       101.5300 63.45335 7.409408 65.09194 9.406988 -1.638588      11.97459 
1 1 1 8   1  17 o 406.0159 5.344566 14128.28       370.5590 14368.70       524.6284 13888.92       523.4726 408.7071 7.516881 401.7809 7.629617 6.926239       10.71049 
1 1 1 8   1  18 o 112.8422 5.149548 1091.399       99.22992 1163.222       139.8160 1018.506       140.8543 116.0857 7.086985 108.4954 7.651543 7.590302       10.42936 
1 1 1 8   1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   1  20 o 159.9293 3.991270 2189.520       109.0036 2089.668       154.6263 2288.163       153.6868 156.0160 5.803798 163.3014 5.511182 -7.285431      8.003573 
1 1 1 8   1  21 o 78.72788 6.941649 537.8486       92.36872 530.0602       132.9066 545.1252       128.4648 77.41021 10.31059 78.65474 9.775206 -1.244530      14.20784 
1 1 1 8   1  22 o 54.94395 6.495500 263.7843       59.76534 218.9295       84.33356 309.0400       84.70961 49.14967 10.37380 59.06067 8.655992 -9.910999      13.51081 
1 1 1 8   1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   1  24 o 89.68970 4.938029 694.9512       75.33933 698.0978       111.3514 692.2948       102.3133 89.26112 7.371132 89.06174 6.778154 0.1993866      10.01384 
1 1 1 8   1  25 o 120.5245 4.355214 1250.691       89.63686 1336.581       127.7528 1167.404       125.8010 124.1227 6.027224 115.7222 6.390755 8.400497       8.784598 
1 1 1 8   1  26 o 44.67915 8.392195 181.9750       61.67868 186.4722       81.64159 175.9953       94.14142 44.52678 10.83908 43.05991 12.23002 1.466869       16.34194 
1 1 1 8   1  27 o 104.8502 4.215526 949.7646       75.47846 1036.096       113.9599 882.2972       100.7432 108.6286 6.168797 100.3335 5.905918 8.295143       8.540135 
1 1 1 8   1  28 o 37.59280 9.477893 133.5373       60.82889 56.57852       89.56358 199.4313       82.87529 29.77013 11.81400 45.54587 10.81644 -15.77574      16.01768 
1 1 1 8   1  29 o 51.48737 7.536962 241.9824       64.30500 374.7883       99.65698 147.2388       84.17323 63.20823 9.528751 38.73435 11.72231 24.47388       15.10661 
1 1 1 8   2  0  o 232.4101 5.557858 4621.530       220.5791 4485.904       311.3980 4758.114       312.4968 228.7231 7.972671 235.5861 7.767728 -6.862930      11.13109 
1 1 1 8   2  1  f 306.2757 6.615991 8031.309       346.0264 7935.856       499.8893 8119.120       479.4603 303.9855 9.629840 307.5655 9.128788 -3.579987      13.26908 
1 1 1 8   2  2  o 208.1231 4.644134 3702.688       165.0543 3453.429       280.2648 3835.043       204.2273 200.7513 8.175388 211.7513 5.647884 -11.00003      9.936577 
1 1 1 8   2  3  f 346.0308 5.890527 10238.78       348.0734 9883.344       593.4529 10425.17       429.7557 339.4616 10.23749 349.0369 7.210218 -9.575256      12.52172 
1 1 1 8   2  4  o 36.48368 4.042439 115.1102       24.76181 121.8657       40.32595 111.0214       31.37290 37.20072 6.589094 35.65226 5.315536 1.548458       8.465877 
1 1 1 8   2  5  o 110.1972 3.048708 1037.125       57.37046 1028.403       81.80200 1045.569       80.48228 109.7171 4.366040 110.6305 4.260136 -0.9134293     6.100087 
1 1 1 8   2  6  o 278.6620 4.347269 6633.748       206.8694 6551.196       296.0533 6712.513       289.1827 276.8435 6.262296 280.2419 6.042787 -3.398438      8.702393 
1 1 1 8   2  7  o 371.4915 4.873372 11791.58       309.1579 11780.20       437.3268 11802.96       437.1040 371.1824 6.899486 371.5417 6.889303 -0.3592224     9.750149 
1 1 1 8   2  8  f 398.6029 5.107385 13577.04       347.6490 13647.87       491.5746 13506.17       491.7253 399.4807 7.205957 397.3980 7.245943 2.082703       10.21908 
1 1 1 8   2  9  o 101.6505 2.967331 882.5130       51.50833 829.8062       72.31225 936.7985       73.38719 98.55214 4.296788 104.7159 4.103984 -6.163780      5.941807 
1 1 1 8   2  10 o 540.8020 6.646497 25014.37       613.8087 26224.81       868.3916 23805.79       867.7218 553.3021 9.190760 527.0800 9.640556 26.22211       13.31955 
1 1 1 8   2  11 o 229.6848 3.628351 4507.219       142.3127 4582.472       204.3721 4436.380       198.2868 231.5195 5.169304 227.8032 5.097205 3.716339       7.259697 
1 1 1 8   2  12 o 217.2615 3.831791 4033.779       142.1630 4049.817       176.7165 4004.361       239.3339 217.6423 4.754794 216.2945 6.479729 1.347855       8.037099 
1 1 1 8   2  13 o 441.8504 5.801896 16710.41       437.7711 17175.90       626.3756 16265.93       612.0757 447.4167 8.198241 435.3947 8.232281 12.02206       11.61816 
1 1 1 8   2  14 f 436.7022 6.043087 16336.56       450.6571 16401.47       637.9940 16271.93       636.6590 436.8556 8.552180 435.1216 8.568294 1.734009       12.10601 
1 1 1 8   2  15 o 133.1348 3.327276 1515.148       75.64536 1511.267       108.4974 1518.819       105.5220 132.8828 4.781329 133.2238 4.638307 -0.3409119     6.661456 
1 1 1 8   2  16 o 248.9229 4.937615 5306.024       209.8863 5478.255       351.2479 5210.375       261.7573 252.2968 8.152675 246.4585 6.219464 5.838242       10.25416 
1 1 1 8   2  17 o 55.09892 5.637496 263.0104       52.29640 316.2936       75.13150 212.9301       72.83835 60.18690 7.470662 48.91249 9.053893 11.27441       11.73813 
1 1 1 8   2  18 o 246.3294 4.114216 5193.841       173.0634 5284.887       244.0078 5101.682       245.4962 248.1826 5.757452 243.8140 5.896364 4.368668       8.241078 
1 1 1 8   2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   2  20 o 260.6432 4.394916 5819.025       195.6135 5789.380       277.6534 5848.241       275.6362 259.5522 6.264353 260.8890 6.186978 -1.336731      8.804590 
1 1 1 8   2  21 o 83.42424 4.760070 598.6595       67.53106 590.6620       96.62318 606.2967       94.42155 82.52334 6.920402 83.66248 6.664312 -1.139145      9.607550 
1 1 1 8   2  22 o 121.1139 5.581322 1261.825       115.4338 1208.731       166.5000 1310.964       160.1795 117.7220 8.336283 122.8146 7.676064 -5.092674      11.33206 
1 1 1 8   2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   2  24 o 136.1448 4.024008 1592.141       93.55389 1526.899       128.9625 1664.614       135.9221 132.9316 5.681108 138.7812 5.735318 -5.849533      8.072723 
1 1 1 8   2  25 o 66.50439 5.692514 385.8520       64.02518 333.4599       90.53521 438.2673       90.55534 60.80922 8.989564 70.33226 7.663809 -9.523045      11.81297 
1 1 1 8   2  26 o 107.9708 4.257584 1005.258       78.50036 1001.501       109.7526 1009.192       112.3246 107.0828 6.026465 107.4462 6.147365 -0.3633957     8.608623 
1 1 1 8   2  27 o 62.06207 5.814260 339.1320       60.90191 216.8157       86.71722 458.1810       85.55122 47.67515 10.89018 71.73396 7.076117 -24.05881      12.98721 
1 1 1 8   2  28 o 55.44735 6.631052 274.7523       61.54075 265.5290       88.53421 283.3751       85.60330 53.00190 10.15142 55.14093 9.429935 -2.139023      13.85550 
1 1 1 8   2  29 o 25.88253 9.821092 49.33546       59.79789 97.98092       86.28810 4.386483       82.94491 33.18158 11.93770 24.60555 10.66995 8.576029       16.01114 
1 1 1 8   3  0  o 432.6207 8.613259 16052.20       636.3218 15895.23       918.8634 16196.84       882.0546 429.4289 12.53019 433.6812 11.91031 -4.252350      17.28760 
1 1 1 8   3  1  o 462.1977 9.607199 18329.85       758.2745 17128.17       1094.797 19437.84       1051.253 445.4355 14.39284 475.0099 12.95993 -29.57434      19.36785 
1 1 1 8   3  2  o 317.2746 7.064641 8613.848       382.7608 8540.274       541.2263 8687.463       541.3847 315.5633 10.04363 318.2825 9.960732 -2.719238      14.14534 
1 1 1 8   3  3  o 264.0339 5.023217 5957.779       226.4871 5898.165       385.5294 5989.196       279.8744 262.4803 8.601198 264.6669 6.192436 -2.186646      10.59844 
1 1 1 8   3  4  o 239.3406 4.074597 4893.556       166.5340 4914.458       275.3974 4881.506       209.0954 239.7465 6.726754 239.0106 5.123012 0.7359314      8.455441 
1 1 1 8   3  5  o 439.1467 6.554400 16486.23       491.5237 17023.22       816.8109 16181.39       615.4222 445.7847 10.72987 434.9090 8.286531 10.87570       13.55716 
1 1 1 8   3  6  o 315.2263 5.292001 8491.161       284.8683 8579.471       479.8226 8443.092       354.0100 316.6299 8.874151 314.2625 6.596613 2.367401       11.05739 
1 1 1 8   3  7  o 268.7298 3.795510 6168.699       174.1758 6302.036       246.9989 6036.813       245.6503 271.5611 5.326300 265.7816 5.412407 5.779480       7.593657 
1 1 1 8   3  8  f 230.5553 3.501142 4540.410       137.8436 4740.777       195.8018 4343.531       194.0901 235.5438 4.867916 225.4531 5.041329 10.09070       7.007967 
1 1 1 8   3  9  f 91.25977 3.276808 711.3739       51.06606 642.3156       74.08442 773.8875       70.48647 86.54811 5.034400 95.17142 4.337079 -8.623306      6.644956 
1 1 1 8   3  10 o 389.2040 5.055633 12947.69       336.0120 13029.40       476.4521 12866.83       473.9434 390.2213 7.150005 387.7784 7.157164 2.442902       10.11670 
1 1 1 8   3  11 f 441.0631 6.038257 16641.58       454.7935 17297.46       771.7566 16292.63       562.9213 448.9171 10.06728 436.1812 7.557513 12.73593       12.58834 
1 1 1 8   3  12 o 658.8459 7.306032 37188.32       821.9915 37477.63       1163.394 36899.92       1161.551 660.2979 10.31775 655.1614 10.38217 5.136475       14.63713 
1 1 1 8   3  13 f 386.7798 5.026983 12798.58       332.0268 13117.69       470.7294 12482.63       468.3929 391.1977 7.046494 381.5806 7.188231 9.617065       10.06597 
1 1 1 8   3  14 o 373.0905 5.313536 11916.94       338.5320 12371.21       480.5281 11469.31       477.0044 379.6546 7.411876 365.4937 7.642589 14.16086       10.64636 
1 1 1 8   3  15 o 407.7214 8.009517 14292.47       557.6630 13684.58       788.5172 14900.79       788.7919 397.4450 11.61802 414.9759 11.13109 -17.53091      16.08974 
1 1 1 8   3  16 o 79.90949 3.757311 546.1747       51.27167 537.7280       79.10183 552.2947       67.33045 78.96909 5.908623 80.15350 4.943238 -1.184410      7.703728 
1 1 1 8   3  17 o 42.80519 5.941782 160.1735       42.26118 168.1124       63.03651 153.6920       56.95744 43.37527 8.810982 41.50597 8.325606 1.869301       12.12226 
1 1 1 8   3  18 f 223.5305 5.270495 4284.166       201.1824 4472.786       285.7663 4098.813       283.2799 227.9503 7.341229 218.1485 7.604342 9.801880       10.56975 
1 1 1 8   3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   3  20 o 83.20882 4.534049 594.9872       64.18245 574.2759       96.67728 611.3094       85.82423 81.37392 7.026151 84.14445 6.012462 -2.770531      9.247513 
1 1 1 8   3  21 o 112.0019 4.218411 1074.849       80.68192 1109.263       113.9042 1040.195       114.2998 113.4406 5.900251 109.8024 6.120152 3.638260       8.501131 
1 1 1 8   3  22 o 91.01157 4.635086 712.9455       71.79866 700.5491       107.6715 722.8714       96.34698 89.73618 7.083979 91.35601 6.212795 -1.619827      9.422398 
1 1 1 8   3  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   3  24 o 46.17450 7.716605 190.9221       58.69850 194.2900       82.73746 187.5091       83.28972 45.81449 10.75893 44.96679 10.94901 0.8476982      15.35042 
1 1 1 8   3  25 o 51.20586 7.272767 233.6155       61.80760 235.7661       90.49808 231.7354       84.61635 50.31215 10.85219 50.06663 10.24227 0.2455254      14.92227 
1 1 1 8   3  26 o 128.2953 4.138959 1419.211       90.67843 1314.667       130.9497 1515.524       125.6893 122.5560 6.278100 132.0548 5.573684 -9.498787      8.395266 
1 1 1 8   3  27 o 144.0365 4.051670 1791.730       99.65717 1864.662       146.9194 1729.577       135.6296 146.0182 5.892103 140.7682 5.642197 5.250015       8.157896 
1 1 1 8   3  28 o 61.55384 6.826238 339.0593       70.54444 313.3979       95.99410 369.1899       104.0181 57.63161 10.12337 62.69206 10.05609 -5.060448      14.26911 
1 1 1 8   3  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   4  0  o 276.6376 6.005189 6545.286       283.6873 6394.509       400.9273 6696.465       401.4621 273.1910 8.594038 279.5874 8.408626 -6.396393      12.02341 
1 1 1 8   4  1  o 330.7019 6.348165 9353.040       358.4981 9106.133       506.6009 9600.712       507.3857 326.0280 9.099323 334.7919 8.874857 -8.763885      12.71066 
1 1 1 8   4  2  o 214.5912 5.151410 3935.451       188.7730 3936.085       266.8444 3934.815       267.0865 214.5101 7.284646 214.4750 7.292447 0.3503418E-01  10.30756 
1 1 1 8   4  3  o 180.9871 4.500107 2798.562       139.0824 2682.302       195.1202 2918.646       198.3030 177.1302 6.450711 184.7752 6.284688 -7.644913      9.006051 
1 1 1 8   4  4  o 496.8889 7.507462 21115.05       637.0219 21676.43       1087.288 20821.63       786.0620 502.7025 12.66577 493.2075 9.333085 9.495056       15.73303 
1 1 1 8   4  5  o 584.9945 8.098729 29275.04       809.0411 29824.02       1364.226 28977.22       1004.804 589.4514 13.55303 581.7033 10.11528 7.748047       16.91164 
1 1 1 8   4  6  o 453.2309 7.138657 17566.23       552.5072 18096.14       931.5712 17278.68       686.2294 459.3932 11.87489 449.3095 8.943794 10.08368       14.86622 
1 1 1 8   4  7  o 535.9874 8.213536 24581.88       751.7729 24706.37       1267.768 24514.36       933.6357 536.2836 13.84341 534.9358 10.22054 1.347839       17.20754 
1 1 1 8   4  8  o 240.2457 4.542194 4931.674       186.3473 5280.361       314.8163 4743.611       231.2020 248.4452 7.420355 235.5697 5.747385 12.87555       9.385846 
1 1 1 8   4  9  o 143.7850 3.601531 1766.120       88.43064 1706.927       112.3462 1862.520       143.3718 141.3309 4.654999 147.6009 5.688173 -6.270050      7.350124 
1 1 1 8   4  10 o 90.99360 3.958389 707.4855       61.50795 722.5111       122.6425 702.4362       71.09557 91.51212 7.926301 90.53881 4.613687 0.9733047      9.171279 
1 1 1 8   4  11 o 162.2244 3.406617 2248.520       94.37164 2331.767       137.9293 2175.249       129.4018 165.1412 4.891016 159.5087 4.750662 5.632507       6.818418 
1 1 1 8   4  12 o 66.62745 3.905697 380.7452       44.24374 306.4606       69.73598 430.7909       57.23886 59.39878 7.010159 70.81465 4.760988 -11.41587      8.474039 
1 1 1 8   4  13 o 125.9881 3.316842 1356.581       71.36021 1389.416       107.3991 1330.627       95.48533 127.4298 4.935462 124.7278 4.483027 2.701965       6.667558 
1 1 1 8   4  14 o 221.9052 5.166059 4215.812       195.7621 4226.339       277.1361 4205.327       276.5637 221.8813 7.314262 221.3286 7.317383 0.5527649      10.34614 
1 1 1 8   4  15 o 158.5459 3.352026 2149.037       90.75369 2123.506       132.0148 2171.914       124.9653 157.4848 4.908877 159.2971 4.593880 -1.812317      6.723155 
1 1 1 8   4  16 o 87.00696 3.635937 647.4789       54.02219 643.1321       85.09333 650.4138       69.92000 86.40785 5.800513 87.02552 4.722610 -0.6176682     7.479906 
1 1 1 8   4  17 o 206.3453 3.719064 3642.716       131.0479 3774.450       189.6471 3522.330       181.2945 209.8295 5.292705 202.7090 5.237326 7.120560       7.445960 
1 1 1 8   4  18 o 125.0451 13.48069 1387.153       283.3082 1538.887       382.9676 1203.741       421.0514 130.1108 17.69545 112.6719 22.66870 17.43893       28.75759 
1 1 1 8   4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   4  20 o 315.9215 5.504697 8567.021       296.9713 8060.806       363.7143 9579.449       514.3691 305.9619 6.961311 332.5721 9.057058 -26.61011      11.42323 
1 1 1 8   4  21 o 253.6127 4.355769 5514.065       188.6418 5676.107       269.1031 5357.501       264.5155 256.8020 6.136468 249.4669 6.209209 7.335098       8.729864 
1 1 1 8   4  22 o 95.85059 4.389121 788.6843       71.84132 802.2860       113.0750 779.4773       93.03091 96.04741 6.940853 94.93486 5.765817 1.112549       9.023308 
1 1 1 8   4  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   4  24 o 174.4029 4.042336 2614.650       120.3893 2516.491       174.8310 2703.167       166.0227 170.4055 6.008039 176.8250 5.498215 -6.419495      8.144133 
1 1 1 8   4  25 o 67.66335 7.581877 406.4783       86.09948 304.6822       122.8536 504.7383       120.7010 56.44318 13.01245 74.64723 9.697903 -18.20405      16.22878 
1 1 1 8   4  26 f 48.78117 7.471956 214.3731       60.26003 254.4466       94.98756 187.3823       77.95549 51.84718 11.06548 44.57772 10.42647 7.269463       15.20382 
1 1 1 8   4  27 o 56.01831 7.250146 282.1678       67.72798 259.4449       99.09809 302.0845       92.77766 51.84448 11.49488 56.82657 9.921716 -4.982090      15.18462 
1 1 1 8   4  28 o 79.18714 5.539916 551.5620       74.44149 537.8848       108.8781 563.5679       102.0096 76.74031 8.448292 79.01967 7.655698 -2.279358      11.40102 
1 1 1 8   5  0  o 130.1065 4.094623 1446.174       90.97346 1400.909       128.3368 1491.892       128.9774 128.0152 5.870673 132.1108 5.717069 -4.095657      8.194490 
1 1 1 8   5  1  o 227.0075 5.352606 4403.957       207.4949 4439.811       293.1156 4367.942       293.7697 227.8292 7.534034 225.9735 7.612853 1.855698       10.71061 
1 1 1 8   5  2  o 490.3965 8.906151 20581.43       745.8292 19983.34       1054.396 21180.36       1055.128 482.6233 12.79362 496.9338 12.43382 -14.31049      17.84031 
1 1 1 8   5  3  o 119.2723 4.053771 1215.226       82.56590 1318.273       117.7288 1115.482       115.8261 124.2007 5.550817 114.0855 5.966028 10.11514       8.148930 
1 1 1 8   5  4  o 127.5090 4.489030 1389.029       97.74516 1408.511       136.7045 1368.650       139.8129 128.3647 6.236420 126.3623 6.501325 2.002403       9.008893 
1 1 1 8   5  5  o 113.6834 3.993418 1104.023       77.52534 1279.368       132.4341 1012.611       95.62136 122.1669 6.370177 108.8577 5.143913 13.30910       8.187735 
1 1 1 8   5  6  o 393.9205 6.813564 13268.99       458.3369 14055.26       772.7584 12842.27       569.2810 404.9134 11.17583 387.3626 8.606112 17.55072       14.10547 
1 1 1 8   5  7  o 564.8599 7.511035 27296.33       724.5067 27590.67       1221.516 27136.58       899.8816 566.8870 12.61830 562.8997 9.361650 3.987366       15.71184 
1 1 1 8   5  8  o 367.5376 6.512962 11552.79       408.7730 11739.93       578.2409 11365.83       577.9438 370.2081 9.146626 364.2432 9.291638 5.964935       13.03823 
1 1 1 8   5  9  o 137.1086 3.947924 1606.244       92.43481 1215.747       290.6918 1650.170       97.49512 117.8458 14.76938 138.9666 4.108379 -21.12084      15.33015 
1 1 1 8   5  10 o 155.1534 3.400038 2056.706       90.08386 2123.713       151.1594 2019.801       112.1814 157.5734 5.617592 153.7266 4.273366 3.846832       7.058257 
1 1 1 8   5  11 o 280.6625 4.605997 6735.262       220.7547 6388.928       371.8067 6923.824       274.3452 272.9664 7.976386 284.4631 5.647673 -11.49670      9.773379 
1 1 1 8   5  12 o 96.67859 4.343808 799.2803       71.71382 811.2396       102.1666 787.6650       100.6869 97.12705 6.192069 95.69958 6.194361 1.427475       8.758529 
1 1 1 8   5  13 o 181.9315 3.571054 2829.589       110.9446 2794.719       161.7093 2860.598       152.4945 180.6785 5.241151 182.8275 4.884396 -2.149048      7.164286 
1 1 1 8   5  14 o 105.0835 3.428793 944.0585       61.52868 990.1927       94.41182 909.9984       81.12186 107.5343 5.141353 103.1171 4.606861 4.417160       6.903381 
1 1 1 8   5  15 o 404.9957 5.694121 14061.41       393.8030 14213.27       558.9740 13911.77       554.8915 406.3565 8.055315 402.0124 8.082891 4.344055       11.41145 
1 1 1 8   5  16 o 238.9402 4.003961 4885.523       163.3733 4953.778       234.7374 4821.400       227.5210 240.3274 5.719751 237.1132 5.619062 3.214218       8.018067 
1 1 1 8   5  17 o 253.3938 4.286222 5497.517       185.4695 5491.670       263.2363 5503.280       261.3608 252.9019 6.095255 253.1806 6.045163 -0.2787476     8.584645 
1 1 1 8   5  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   5  19 o 153.0698 3.813974 2005.441       99.69403 1834.429       148.6891 2145.107       134.3727 146.1419 5.958027 158.1753 4.974742 -12.03337      7.761838 
1 1 1 8   5  20 o 148.2406 4.091933 1882.208       103.5852 1872.838       178.5636 1886.960       127.1696 147.4094 7.093588 148.3103 5.021229 -0.9009247     8.690900 
1 1 1 8   5  21 o 54.86216 6.146288 262.4614       56.59262 191.5648       77.18410 344.8898       83.22496 45.95038 10.11082 62.60230 7.965454 -16.65192      12.87156 
1 1 1 8   5  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   5  23 o 176.9075 3.941624 2687.377       119.0757 2699.913       173.8503 2676.298       163.4294 176.7528 5.759799 176.0941 5.434799 0.6587067      7.919111 
1 1 1 8   5  24 o 41.36250 8.785295 156.3700       60.13741 87.11766       94.44563 203.5942       77.99137 33.71473 12.43490 46.97955 10.02687 -13.26482      15.97388 
1 1 1 8   5  25 o 47.18090 7.764108 200.7450       60.37818 110.7545       102.3840 248.7286       74.76193 36.30135 13.00950 52.32950 8.669794 -16.02815      15.63370 
1 1 1 8   5  26 o 124.5119 6.007076 1355.233       127.7250 1523.492       221.3119 1271.202       156.4003 128.9642 10.13078 119.4789 7.706670 9.485390       12.72892 
1 1 1 8   5  27 o 27.17436 10.26265 54.23140       65.10119 -36.14187      101.0069 118.4504       85.14571 24.67895 11.16921 35.72912 11.90960 -11.05017      16.32758 
1 1 1 8   5  28 f 124.7469 4.460065 1352.189       95.01079 1456.388       143.2959 1270.445       126.9205 128.0173 6.577070 119.7910 6.225948 8.226280       9.056505 
1 1 1 8   6  0  o 257.7478 5.422156 5677.273       238.6541 5853.249       337.2208 5500.697       337.7958 261.6052 7.548592 253.5899 7.800461 8.015289       10.85488 
1 1 1 8   6  1  o 173.9806 4.983204 2586.370       148.0510 2319.149       208.1560 2859.948       210.6172 164.6754 7.402158 182.8954 6.743559 -18.22003      10.01337 
1 1 1 8   6  2  f 277.7099 5.641962 6591.222       267.5613 6420.563       386.9186 6747.620       370.3995 273.9421 8.271017 280.8692 7.722614 -6.927094      11.31585 
1 1 1 8   6  3  o 351.4109 7.397593 10561.58       443.9229 10562.76       627.8506 10560.41       627.7529 351.1360 10.47078 351.0969 10.47031 0.3909302E-01  14.80759 
1 1 1 8   6  4  o 271.3157 5.645478 6291.595       261.5638 6036.500       369.9757 6546.501       369.8384 265.6127 8.156850 276.6285 7.829125 -11.01581      11.30617 
1 1 1 8   6  5  o 174.6816 5.194416 2607.695       154.9479 2919.621       214.2201 2265.440       224.3927 184.7753 6.789134 162.7116 8.075849 22.06361       10.55044 
1 1 1 8   6  6  o 348.3585 5.979796 10374.81       355.7252 10038.14       614.4434 10544.54       436.2741 342.2024 10.51470 351.0885 7.276808 -8.886108      12.78714 
1 1 1 8   6  7  o 137.0429 4.907536 1605.087       114.8476 1545.494       163.2926 1663.421       161.5593 134.2136 7.150509 139.4505 6.784377 -5.236954      9.856853 
1 1 1 8   6  8  o 220.0671 4.799626 4139.486       180.3701 3682.945       606.5838 4183.769       188.9152 205.5325 17.44742 221.2309 5.000566 -15.69839      18.14988 
1 1 1 8   6  9  o 235.8164 4.338530 4753.042       174.7103 4825.517       294.3134 4713.606       217.1001 237.3855 7.260288 234.7681 5.415257 2.617477       9.057416 
1 1 1 8   6  10 o 240.4936 4.350242 4944.447       178.6565 4974.602       300.7038 4927.996       222.1072 240.9539 7.308075 240.0111 5.419128 0.9428101      9.098072 
1 1 1 8   6  11 o 179.1007 4.709192 2743.657       144.0276 2846.919       204.3117 2641.651       203.0655 182.2892 6.563425 175.5752 6.772844 6.713974       9.431329 
1 1 1 8   6  12 o 240.7439 4.466144 4957.906       183.6073 5060.665       309.5797 4902.147       228.0441 242.8174 7.466047 239.2602 5.581443 3.557205       9.321714 
1 1 1 8   6  13 o 286.0157 5.148105 7004.523       251.4428 6917.880       424.1685 7051.464       312.2127 283.4837 8.762105 286.7566 6.375809 -3.272888      10.83630 
1 1 1 8   6  14 o 252.9175 4.691576 5476.285       202.6281 5323.157       341.8992 5559.188       251.5691 248.7143 8.049989 254.6486 5.785144 -5.934219      9.913134 
1 1 1 8   6  15 o 71.46689 4.111754 438.5277       49.96878 534.1232       91.99805 398.5244       59.51247 78.53912 6.930552 68.00307 5.163360 10.53605       8.642502 
1 1 1 8   6  16 o 213.6013 3.823847 3904.026       139.4782 4004.477       203.0869 3814.343       191.8928 216.0836 5.503742 210.9208 5.327669 5.162827       7.659976 
1 1 1 8   6  17 o 74.29515 15.51050 505.7818       190.4283 518.9742       234.9482 480.5201       325.1169 74.56089 18.53293 72.18032 23.22491 2.380569       29.71306 
1 1 1 8   6  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   6  19 o 165.1105 3.760427 2333.486       106.0264 2431.884       161.0498 2258.214       140.8584 168.3000 5.603688 162.2585 5.083623 6.041534       7.566012 
1 1 1 8   6  20 o 95.70554 4.075318 784.8412       66.60403 754.1105       104.6703 805.7505       86.33916 93.31753 6.611172 96.72004 5.247079 -3.402512      8.440346 
1 1 1 8   6  21 o 139.3630 3.959801 1665.480       94.23729 1720.268       145.8293 1626.197       123.4839 141.2327 6.046554 137.4837 5.259654 3.748917       8.014036 
1 1 1 8   6  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   6  23 o 120.8371 4.159509 1255.472       85.83099 1201.804       130.3143 1296.593       114.0682 117.4595 6.522503 122.4939 5.453162 -5.034378      8.501765 
1 1 1 8   6  24 o 162.0833 3.974204 2260.113       109.9994 2408.250       164.8272 2141.158       147.7031 166.6069 5.793406 157.2190 5.501519 9.387833       7.989385 
1 1 1 8   6  25 o 63.17396 6.564050 352.8188       69.77892 298.2258       120.2144 380.5592       85.69263 55.47362 12.92923 65.17253 7.858272 -9.698914      15.13002 
1 1 1 8   6  26 o 80.36160 5.600149 566.1873       76.37074 578.4778       127.9548 559.3862       95.18411 79.27133 9.651531 79.25091 7.108871 0.2042389E-01  11.98700 
1 1 1 8   6  27 o 29.48425 11.26863 64.60096       79.08035 58.29226       125.6694 68.73687       101.7524 32.92038 13.64557 31.75588 12.59535 1.164503       18.56999 
1 1 1 8   6  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   7  0  o 235.3986 4.608379 4734.425       185.2482 4697.664       315.1625 4753.830       228.9796 234.3340 7.875846 235.8398 5.685619 -1.505737      9.713662 
1 1 1 8   7  1  o 107.6202 4.779060 989.6332       87.82905 974.2702       129.9353 1002.558       119.1787 106.4916 7.187181 108.0941 6.486457 -1.602478      9.681411 
1 1 1 8   7  2  o 638.4985 10.03784 34923.03       1094.466 35553.53       1580.516 34342.15       1517.051 643.1295 14.39125 632.1765 14.05270 10.95300       20.11434 
1 1 1 8   7  3  o 408.2705 8.310534 14265.21       579.4004 13971.07       837.5786 14535.13       802.3481 403.5055 12.15554 411.6914 11.41272 -8.185883      16.67355 
1 1 1 8   7  4  o 241.0553 5.707356 4967.155       234.9381 4786.490       340.0959 5132.064       324.9283 236.4699 8.422161 244.9034 7.769460 -8.433426      11.45850 
1 1 1 8   7  5  o 212.1161 4.147556 3844.186       150.2339 3815.532       218.2140 3870.005       207.1437 211.2461 6.049117 212.7652 5.701236 -1.519165      8.312394 
1 1 1 8   7  6  o 338.8055 7.884459 9826.987       456.1675 6482.197       1654.447 10102.19       474.5628 265.5600 37.52832 343.4928 8.090475 -77.93280      38.39050 
1 1 1 8   7  7  o 289.0905 4.651321 7143.398       229.6213 7069.774       396.8287 7180.458       281.5426 287.2857 8.088855 289.7625 5.689841 -2.476715      9.889584 
1 1 1 8   7  8  o 268.4216 4.885747 6160.352       223.9496 6051.525       387.9679 6214.734       274.2543 265.6627 8.551914 269.5132 5.958973 -3.850586      10.42327 
1 1 1 8   7  9  o 96.16675 5.243074 793.4373       85.77689 662.4980       125.5267 908.1387       117.4858 87.46385 8.512238 102.7553 6.732662 -15.29150      10.85297 
1 1 1 8   7  10 o 210.7666 4.486324 3799.089       161.4709 3520.346       271.4085 3951.802       200.8913 202.5497 7.846753 214.8758 5.474841 -12.32614      9.567937 
1 1 1 8   7  11 o 167.3554 4.254143 2395.493       121.5777 2392.089       205.1564 2397.335       150.9363 166.9711 7.195184 167.3423 5.281850 -0.3712311     8.925728 
1 1 1 8   7  12 o 113.1288 3.616006 1094.267       69.85612 1099.750       118.9133 1091.377       86.32128 113.0941 6.180674 112.9376 4.475870 0.1565552      7.631129 
1 1 1 8   7  13 o 233.9014 4.471164 4682.478       178.5893 4653.233       301.7608 4698.243       221.5563 232.6467 7.595634 234.1451 5.541114 -1.498428      9.401999 
1 1 1 8   7  14 o 278.4044 4.921739 6639.218       233.9897 6926.660       396.3882 6485.487       289.8851 283.5667 8.185845 274.9098 6.174954 8.656830       10.25369 
1 1 1 8   7  15 o 107.5555 3.817349 989.8252       70.11268 961.2339       125.0988 1002.919       84.65848 105.5027 6.983137 108.2141 4.581256 -2.711403      8.351773 
1 1 1 8   7  16 o 150.5688 12.54059 1995.951       319.5121 2055.124       436.1342 1927.402       469.4159 150.8332 17.24232 144.9579 19.45425 5.875275       25.99549 
1 1 1 8   7  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   7  18 f 158.6565 4.101499 2155.558       111.1226 2309.494       196.0935 2082.741       134.8678 163.7641 7.012011 155.8337 5.068100 7.930450       8.651816 
1 1 1 8   7  19 o 142.8197 4.057487 1747.267       98.95717 1856.878       174.1535 1695.002       120.2574 146.7720 6.948436 140.5478 5.010554 6.224136       8.566587 
1 1 1 8   7  20 o 49.46832 6.686839 214.9728       55.03952 186.9159       98.03650 227.8863       66.51045 45.19113 12.35129 50.68419 7.945686 -5.493065      14.68633 
1 1 1 8   7  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   7  22 o 211.9406 4.160507 3860.039       150.5783 3855.991       224.0761 3863.372       203.3318 210.9967 6.218961 211.4694 5.630613 -0.4727173     8.389236 
1 1 1 8   7  23 f 94.04998 4.860841 765.2194       77.80100 575.1324       143.3946 844.5215       92.61877 79.38442 10.86281 98.63313 5.521052 -19.24871      12.18534 
1 1 1 8   7  24 o 20.28324 9.380565 -55.76854      76.55414 0.2121980      94.51276 -162.5601      130.5388 26.40443 11.41985 23.56212 11.29575 2.842310       16.06260 
1 1 1 8   7  25 o 60.28148 6.404446 321.8966       64.91785 423.0879       114.8964 274.4436       78.68042 67.47192 10.29832 54.77346 8.703019 12.69845       13.48325 
1 1 1 8   7  26 f 88.01788 5.100416 676.5120       76.33307 699.5933       128.6653 663.9758       94.82311 87.69970 8.706425 86.62067 6.456866 1.079033       10.83942 
1 1 1 8   7  27 o 50.82294 8.853334 241.0470       74.04428 186.4761       118.0494 276.4409       95.07081 42.90120 14.01001 53.50222 10.77834 -10.60102      17.67634 
1 1 1 8   8  0  f 323.9327 6.179938 8971.415       341.8542 9317.652       494.3362 8654.071       473.2617 329.9010 8.774792 317.9424 8.716680 11.95868       12.36841 
1 1 1 8   8  1  o 510.1888 7.459827 22269.03       649.9225 23913.56       1122.194 21439.03       797.2371 527.7518 12.45192 500.3089 9.331412 27.44290       15.56039 
1 1 1 8   8  2  o 74.12900 4.500028 471.2710       56.69508 470.7758       86.97832 471.6369       74.75962 73.85979 6.978757 74.03397 5.963933 -0.1741714     9.179954 
1 1 1 8   8  3  o 60.01556 5.155818 310.1298       52.32704 289.7344       77.59594 327.1401       70.86456 57.61612 8.111201 61.46064 6.869466 -3.844517      10.62926 
1 1 1 8   8  4  o 212.9629 5.920492 3878.239       215.3097 3937.194       245.1164 3679.091       450.5042 214.5307 6.690847 206.4574 12.84173 8.073303       14.48024 
1 1 1 8   8  5  o 203.6724 6.362248 3548.864       221.2813 2835.046       780.4307 3611.267       230.7510 177.4524 26.57187 205.4414 6.577393 -27.98898      27.37382 
1 1 1 8   8  6  o 302.6613 5.476688 7834.394       283.0589 8430.930       409.9958 7291.099       391.2719 313.7254 7.652931 291.7233 7.854267 22.00214       10.96617 
1 1 1 8   8  7  o 298.7577 6.470045 7641.118       330.0869 7574.521       477.4765 7702.081       456.8341 297.0157 9.413922 299.5899 8.929547 -2.574188      12.97531 
1 1 1 8   8  8  o 365.0117 7.330625 11420.67       456.9300 11348.78       660.4536 11486.66       632.8247 363.0708 10.65244 365.4109 10.14145 -2.340027      14.70794 
1 1 1 8   8  9  o 311.4452 5.359553 8302.293       285.0441 8322.122       493.7338 8292.380       349.0983 311.0544 9.295110 311.0677 6.571898 -0.1330566E-01 11.38371 
1 1 1 8   8  10 o 236.3412 4.352705 4778.142       175.6712 4953.114       305.4160 4691.634       214.7512 240.2000 7.445895 234.0781 5.372456 6.121811       9.181755 
1 1 1 8   8  11 o 133.6441 3.705763 1527.290       84.57256 1711.864       148.1364 1438.041       103.0100 141.3051 6.139061 129.6246 4.653613 11.68053       7.703517 
1 1 1 8   8  12 o 104.8823 3.603726 940.7244       64.54400 980.2632       113.8321 921.9893       78.35763 106.7108 6.274364 103.7913 4.420979 2.919472       7.675460 
1 1 1 8   8  13 o 256.1531 4.902874 5620.372       214.4629 5235.414       361.5061 5829.433       266.4071 246.4091 8.591265 260.6691 5.984865 -14.26001      10.47036 
1 1 1 8   8  14 o 176.2310 4.036460 2658.088       121.4745 2568.663       207.9806 2704.389       149.6533 172.8215 7.047307 177.6552 4.932947 -4.833740      8.602239 
1 1 1 8   8  15 o 141.4163 12.22375 1759.540       292.2906 1762.154       388.9929 1756.151       442.9701 139.8138 16.61803 138.3557 19.27222 1.458130       25.44754 
1 1 1 8   8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   8  17 o 25.59299 7.852160 56.55879       37.59300 156.0878       77.66653 26.10584       42.96093 41.57535 10.83104 21.46618 8.280152 20.10917       13.63350 
1 1 1 8   8  18 o 109.6176 4.068214 1029.174       76.15279 1040.826       133.8732 1023.600       92.59302 109.6457 7.189709 109.2371 4.963707 0.4086151      8.736722 
1 1 1 8   8  19 o 120.7750 4.407810 1251.141       90.90794 1298.983       181.1709 1235.042       105.0964 121.9505 8.757998 119.8983 5.133021 2.052223       10.15138 
1 1 1 8   8  20 o 82.84248 4.910141 592.2512       69.15250 659.1979       134.7440 568.3131       80.57284 86.29305 9.290317 80.96004 5.867777 5.333015       10.98821 
1 1 1 8   8  21 o 48.65714 7.240992 210.1286       58.33178 328.6469       105.7960 158.3623       69.91982 60.02898 10.71364 41.53905 9.981215 18.48992       14.64263 
1 1 1 8   8  22 f 261.2524 5.059740 5891.371       225.7306 5622.655       391.7520 6024.933       276.1895 252.1981 9.096355 263.5263 6.137357 -11.32816      10.97319 
1 1 1 8   8  23 o 89.92629 4.900466 700.7381       74.96951 575.4442       141.2104 749.9147       88.46687 79.27073 10.70546 92.83049 5.607007 -13.55976      12.08492 
1 1 1 8   8  24 o 45.93589 7.133314 189.6862       54.14080 261.5242       99.77862 159.7093       64.45446 52.40913 11.46751 41.41194 9.337278 10.99719       14.78812 
1 1 1 8   8  25 o 34.84714 9.526475 114.1828       58.31298 -16.99799      96.02616 190.8186       73.39563 25.16765 11.17640 44.95990 9.833428 -19.79225      14.88651 
1 1 1 8   8  26 o 31.13028 12.32862 66.04500       97.35249 26.06813       132.5798 112.8210       143.4117 31.45572 13.56510 37.76440 14.96111 -6.308680      20.19522 
1 1 1 8   8  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   9  0  o 429.8707 6.839550 15809.06       502.0735 17045.21       882.8791 15218.22       610.3788 445.5352 11.60426 421.5379 8.479318 23.99731       14.37211 
1 1 1 8   9  1  o 285.3511 4.920545 6959.843       239.7699 6989.688       411.4812 6944.500       295.0333 285.6639 8.435147 284.9568 6.063035 0.7071228      10.38807 
1 1 1 8   9  2  f 267.3205 4.226939 6106.724       192.9568 6059.849       328.7191 6131.366       238.3391 266.0730 7.234727 267.7997 5.211746 -1.726715      8.916478 
1 1 1 8   9  3  o 284.1587 6.015046 6907.447       291.8783 7091.163       406.4570 6711.841       419.4040 287.6697 8.274058 279.8071 8.777522 7.862579       12.06254 
1 1 1 8   9  4  o 306.0757 5.637276 8013.569       294.6457 4451.126       1369.800 8186.395       301.7082 216.8106 38.40336 309.3512 5.711279 -92.54056      38.82572 
1 1 1 8   9  5  o 284.0793 5.187904 6902.405       251.6712 7078.239       373.7150 6756.488       340.4410 287.3891 7.614972 280.8495 7.098495 6.539581       10.41040 
1 1 1 8   9  6  o 137.1961 3.953430 1608.962       92.62276 1779.136       142.6584 1484.950       121.7816 144.1758 5.794330 131.7378 5.413389 12.43796       7.929631 
1 1 1 8   9  7  o 60.10963 4.915462 311.1722       50.01427 382.9191       75.95218 256.2433       66.45677 66.50044 6.783239 54.16895 7.376132 12.33149       10.02096 
1 1 1 8   9  8  o 376.4812 7.201796 12160.87       463.0053 12402.36       669.2831 11939.22       641.1965 379.2304 10.33486 372.1690 10.08902 7.061462       14.44291 
1 1 1 8   9  9  o 151.6457 3.852016 1966.547       99.75166 2115.148       172.0100 1891.248       122.4435 157.0559 6.413534 148.6489 4.823611 8.407013       8.025002 
1 1 1 8   9  10 o 307.9485 5.172266 8121.772       271.9949 8150.557       471.6646 8107.430       332.9285 307.5528 8.980732 307.4413 6.341425 0.1115112      10.99396 
1 1 1 8   9  11 o 98.76225 4.054631 834.5646       68.38239 836.5758       125.7524 833.7202       81.48289 98.34643 7.545354 98.66884 4.835980 -0.3224106     8.962091 
1 1 1 8   9  12 o 284.5448 5.002003 6936.980       243.0505 7012.996       422.5862 6899.404       297.1104 285.1146 8.679485 283.5267 6.136516 1.587830       10.62969 
1 1 1 8   9  13 o 23.32747 7.538840 45.45758       34.22791 -56.35286      68.17210 79.77286       39.57804 19.10544 8.841582 29.87615 7.706843 -10.77071      11.72898 
1 1 1 8   9  14 o 211.2223 15.30193 3969.292       548.1938 4006.403       953.9443 3950.993       669.8425 202.8811 28.30563 208.4814 19.02452 -5.600266      34.10485 
1 1 1 8   9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   9  16 o 70.41399 4.440863 426.4525       53.12485 436.1306       101.4812 422.7991       62.35098 70.51736 8.605823 70.00767 5.253813 0.5096970      10.08279 
1 1 1 8   9  17 o 188.9492 4.400802 3059.440       141.9969 2822.938       250.3262 3171.643       172.4210 180.7144 8.111695 192.2348 5.252384 -11.52039      9.663702 
1 1 1 8   9  18 o 100.2323 4.312696 861.4682       73.81738 889.3379       147.5635 852.1664       85.25069 100.8428 8.652851 99.48788 5.034326 1.354912       10.01081 
1 1 1 8   9  19 f 32.81918 8.027355 97.36159       44.61674 188.5839       104.8101 77.17239       49.30742 45.27976 12.91970 29.59871 8.975057 15.68104       15.73119 
1 1 1 8   9  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   9  21 o 87.84363 4.559234 666.2491       68.15667 563.5333       125.4854 709.2307       81.17374 79.29488 9.453503 90.47247 5.276988 -11.17758      10.82660 
1 1 1 8   9  22 o 24.53749 9.102463 42.87922       50.75263 6.112813       92.09820 58.91376       60.82103 26.58048 11.38147 27.67101 10.01300 -1.090534      15.15909 
1 1 1 8   9  23 o 47.18891 7.394280 200.3558       57.62774 299.4127       119.9192 170.6114       65.71272 55.64497 12.87545 42.90841 9.241251 12.73656       15.84859 
1 1 1 8   9  24 f 83.40278 4.916827 605.9683       69.71755 627.0361       123.7143 596.1642       84.39450 83.05116 8.859891 82.30735 6.046786 0.7438049      10.72666 
1 1 1 8   9  25 o 105.2072 4.721180 961.4872       84.81991 902.3320       158.8433 985.0828       100.3199 99.01009 9.511867 106.0058 5.561269 -6.995720      11.01832 
1 1 1 8   9  26 o 55.85407 6.729408 280.8427       62.89284 208.7461       108.1743 317.6581       77.30039 45.18816 13.19503 58.91270 7.881231 -13.72454      15.36954 
1 1 1 8   10 0  o 53.58938 5.151488 247.8457       46.56169 273.4303       69.23422 226.7185       62.91481 56.01509 7.420591 50.91322 7.457443 5.101875       10.52039 
1 1 1 8   10 1  o 124.8882 4.372647 1333.296       93.25404 1573.669       149.2283 1179.285       119.4496 135.5860 6.445168 117.2415 5.986202 18.34457       8.796295 
1 1 1 8   10 2  o 233.8208 5.192366 4676.351       207.3243 4801.028       297.5885 4558.765       289.0018 236.7057 7.362163 230.6590 7.337163 6.046692       10.39401 
1 1 1 8   10 3  o 148.1003 3.682227 1874.566       93.12544 2123.014       156.1757 1737.491       116.0049 157.4969 5.806836 142.5365 4.765937 14.96046       7.512223 
1 1 1 8   10 4  o 305.6122 5.577055 7994.002       291.0566 8216.889       421.1158 7790.150       402.7319 309.4540 7.968994 301.3376 7.826378 8.116455       11.16947 
1 1 1 8   10 5  o 105.6227 3.896071 953.7946       70.27263 1012.614       116.6698 920.3063       88.03288 108.5325 6.322400 103.7094 4.970785 4.823105       8.042478 
1 1 1 8   10 6  o 56.60622 4.939628 276.3029       47.27017 270.0795       74.39220 280.5172       61.21746 55.49836 8.087261 56.84924 6.418298 -1.350883      10.32465 
1 1 1 8   10 7  o 292.0907 5.897207 7311.186       294.1480 7402.672       434.9314 7234.066       399.3224 293.2907 8.684014 290.0888 8.061034 3.201874       11.84873 
1 1 1 8   10 8  o 295.8004 5.784804 7499.123       292.2061 7709.887       432.3412 7321.882       396.4690 299.2866 8.459358 291.7936 7.956673 7.492981       11.61333 
1 1 1 8   10 9  o 17.96097 7.014938 16.57698       31.13385 -8.884014      60.51073 25.74401       36.30855 21.00576 9.111205 20.32567 7.667116 0.6800919      11.90793 
1 1 1 8   10 10 o 152.7550 4.086861 1996.795       106.6073 1766.093       188.5243 2105.246       129.2586 143.0417 7.746841 156.7791 4.828023 -13.73738      9.128162 
1 1 1 8   10 11 o 75.50311 4.115407 489.3765       52.86127 356.2243       95.59006 548.0333       63.44509 63.60169 9.057055 79.85431 4.672990 -16.25262      10.19152 
1 1 1 8   10 12 o 144.2033 3.860284 1779.582       95.05971 1819.303       170.5281 1761.674       114.5001 145.4441 6.865906 143.3993 4.675811 2.044815       8.306857 
1 1 1 8   10 13 o 29.69310 14.37696 -350.8105      224.2966 0.000000       0.000000 -350.8105      224.2966 ?        ?        29.69310 14.37696 0.000000       14.37696 
1 1 1 8   10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   10 15 o 45.72434 5.591684 182.1328       42.75106 265.7469       87.04553 155.5524       49.07801 54.55930 9.698116 41.93090 7.108003 12.62841       12.02402 
1 1 1 8   10 16 o 155.1341 4.261503 2062.044       112.8943 2149.524       206.8541 2024.933       134.7289 157.7761 7.677517 153.6110 5.136136 4.165161       9.237108 
1 1 1 8   10 17 o 62.97647 5.213881 343.0651       55.56707 300.0497       123.6477 353.9510       62.20209 57.10607 12.97448 63.88456 5.763808 -6.778492      14.19713 
1 1 1 8   10 18 o 75.21952 4.982255 488.7024       63.63446 504.3162       118.6870 482.4033       75.38552 75.33625 9.432406 74.54436 5.972186 0.7918854      11.16411 
1 1 1 8   10 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   10 20 o 59.43094 5.645345 308.1323       56.60556 229.6526       107.2961 338.3990       66.63277 49.35331 12.66724 62.13343 6.370069 -12.78012      14.17875 
1 1 1 8   10 21 o 39.95993 7.778666 144.7300       51.17048 43.01834       98.12061 182.7262       59.97143 30.08574 12.21791 44.92744 8.115497 -14.84170      14.66761 
1 1 1 8   10 22 f 70.29456 5.261765 430.7532       62.70371 594.8857       113.6236 358.8789       75.18969 81.54427 8.274274 63.59517 7.041794 17.94909       10.86510 
1 1 1 8   10 23 o 34.76271 8.595857 112.4464       50.74096 -140.0037      98.40007 203.8892       59.22193 19.84201 9.586687 47.42792 7.566453 -27.58590      12.21294 
1 1 1 8   10 24 o 27.54251 9.348027 65.85531       52.46056 164.3950       95.83049 23.68824       62.68806 41.01262 12.52913 23.65521 9.704087 17.35741       15.84766 
1 1 1 8   10 25 o 38.73758 8.751364 141.5469       56.52544 255.8093       101.4560 90.11376       68.06874 50.78255 11.90614 31.45947 10.64837 19.32309       15.97323 
1 1 1 8   11 0  o 167.4764 4.507936 2398.831       128.9238 2376.413       173.4651 2426.496       192.6997 166.5774 6.098094 168.2702 6.706129 -1.692810      9.064156 
1 1 1 8   11 1  o 98.91205 4.829477 837.0248       81.57390 1001.137       337.1150 826.8179       84.07235 105.0449 19.51150 98.17068 5.031895 6.874214       20.14990 
1 1 1 8   11 2  o 128.5017 3.802830 1411.757       83.44835 1325.841       136.3235 1463.243       105.5302 124.2119 6.449150 130.7772 4.725444 -6.565384      7.995083 
1 1 1 8   11 3  o 131.2689 4.829121 1474.612       108.2510 1428.360       156.6285 1516.909       149.7811 128.8252 7.147857 133.0084 6.594408 -4.183182      9.725125 
1 1 1 8   11 4  o 213.5896 4.171709 3902.271       152.1584 3806.580       264.0690 3949.833       186.1712 210.5555 7.344274 214.7941 5.075610 -4.238541      8.927495 
1 1 1 8   11 5  o 149.6447 3.827004 1915.118       97.79622 1833.729       166.0289 1958.359       121.0184 146.1924 6.650538 151.2639 4.685052 -5.071411      8.135070 
1 1 1 8   11 6  o 162.2945 3.845264 2252.843       106.5692 2218.744       186.0938 2269.483       129.9957 160.7688 6.778415 162.8254 4.675252 -2.056564      8.234373 
1 1 1 8   11 7  o 103.8802 4.025861 923.2567       71.41570 799.7263       120.5775 990.0061       88.63455 96.17053 7.398919 107.5220 4.827295 -11.35146      8.834409 
1 1 1 8   11 8  o 78.70705 4.142869 531.6201       55.48620 490.6913       91.24503 555.6356       69.89422 75.20940 7.192219 80.36577 5.119593 -5.156364      8.828263 
1 1 1 8   11 9  o 100.9433 4.011601 872.0425       69.15079 894.0861       111.8536 858.4052       87.97807 101.8207 6.466513 99.94166 5.172683 1.879028       8.280848 
1 1 1 8   11 10 o 173.2745 3.974696 2569.747       117.6090 2427.359       205.4801 2639.120       143.4254 167.9504 7.164517 175.5025 4.785646 -7.552155      8.615841 
1 1 1 8   11 11 o 137.6308 3.771470 1621.070       88.63972 1569.298       163.1888 1642.737       105.5711 134.8371 7.112432 138.4838 4.464204 -3.646729      8.397368 
1 1 1 8   11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   11 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   11 14 o 300.1560 5.431924 7734.011       278.4214 7929.559       486.7826 7638.936       339.4225 302.2967 9.429740 297.8986 6.672218 4.398041       11.55156 
1 1 1 8   11 15 o 121.4554 4.285944 1264.217       88.89256 1151.019       168.9915 1307.520       104.5213 114.9201 8.675200 123.4405 4.958441 -8.520416      9.992259 
1 1 1 8   11 16 o 124.9268 4.175949 1338.247       89.08664 1425.154       163.4848 1301.541       106.2470 128.1020 7.506188 123.0797 5.055085 5.022293       9.049682 
1 1 1 8   11 17 o 105.8607 4.224117 962.0469       76.36115 996.9258       141.3116 947.6616       90.75220 106.7999 7.802269 104.9422 5.064132 1.857674       9.301658 
1 1 1 8   11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   11 19 o 55.15306 6.033470 266.6238       55.89809 53.34706       124.0398 320.9741       62.61670 33.64407 13.70850 60.54494 6.141330 -26.90087      15.02128 
1 1 1 8   11 20 o 76.28854 4.906474 504.7034       63.58008 557.0415       117.8388 483.2098       75.51501 78.83128 8.910021 74.35593 5.998286 4.475342       10.74094 
1 1 1 8   11 21 o 61.31025 5.858331 329.9255       60.58853 200.9510       126.8461 368.0496       68.96439 45.66359 14.48734 64.64394 6.328508 -18.98036      15.80927 
1 1 1 8   11 22 o 103.0018 4.466340 918.1427       78.55944 839.6497       141.3097 953.2541       94.51058 96.40025 8.677024 104.5370 5.311757 -8.136795      10.17377 
1 1 1 8   11 23 o 33.16972 8.577513 102.8767       48.94657 127.6692       97.71211 94.57155       56.55360 37.07080 12.75451 31.88049 9.599651 5.190311       15.96342 
1 1 1 8   11 24 o 49.72874 6.675181 222.7565       55.25441 376.5451       124.3521 184.9234       61.67757 61.74088 12.22699 44.56477 8.413042 17.17611       14.84179 
1 1 1 8   12 0  o 117.3917 4.673337 1179.493       93.68425 1195.699       268.9470 1177.255       99.94380 116.3554 13.80491 117.2605 4.991170 -0.9050217     14.67949 
1 1 1 8   12 1  o 154.5215 6.358099 2048.024       167.7715 2014.336       183.6913 2217.497       412.0003 153.1685 7.022912 158.3435 15.43303 -5.174988      16.95582 
1 1 1 8   12 2  o 164.4132 4.000390 2312.370       112.3158 2336.369       190.1327 2299.507       139.1987 164.9801 6.748750 163.8717 4.974269 1.108322       8.383853 
1 1 1 8   12 3  o 166.7990 4.326977 2380.910       123.2480 2299.437       211.3384 2422.899       151.7190 163.5396 7.567519 168.1700 5.283109 -4.630356      9.229224 
1 1 1 8   12 4  o 104.6691 4.117395 937.4423       73.59412 964.8013       127.9303 923.9100       89.97218 105.7235 7.127576 103.8530 5.073260 1.870476       8.748732 
1 1 1 8   12 5  o 210.3648 4.868134 3790.610       174.8789 3704.035       294.7719 3837.632       217.2397 207.3113 8.326477 211.4874 6.015235 -4.176178      10.27197 
1 1 1 8   12 6  f 171.2100 3.963884 2508.373       115.8916 2366.122       193.9667 2587.347       144.5244 165.9209 6.845798 173.7864 4.869939 -7.865463      8.401265 
1 1 1 8   12 7  o 101.8118 3.727788 886.8875       64.81139 963.7235       107.9812 843.6199       81.03017 105.7887 6.002048 99.23099 4.781867 6.557755       7.674037 
1 1 1 8   12 8  o 184.2185 4.015838 2904.909       126.3314 3134.210       220.8409 2793.374       154.0212 190.9084 6.774112 180.5230 4.996274 10.38547       8.417324 
1 1 1 8   12 9  o 116.6998 3.647372 1165.352       72.68624 1180.366       123.7615 1157.447       89.80676 117.0456 6.214229 116.2353 4.524484 0.8102798      7.686846 
1 1 1 8   12 10 o 128.0481 21.01615 1534.513       443.5976 1234.144       606.5873 1879.822       650.3835 109.5961 31.01536 137.2851 28.66768 -27.68907      42.23492 
1 1 1 8   12 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   12 12 o 66.98981 4.576631 386.3880       52.04147 508.1429       98.73602 339.5516       61.23841 76.36835 7.675020 62.61009 5.793336 13.75827       9.616063 
1 1 1 8   12 13 o 145.8010 4.135945 1821.001       102.9763 1905.162       177.8377 1778.548       126.3056 148.6806 7.004347 143.9642 5.137672 4.716370       8.686573 
1 1 1 8   12 14 o 68.27721 5.439459 403.1477       62.89490 216.5690       139.4799 450.7680       70.46557 48.99066 15.14052 72.16728 5.766021 -23.17662      16.20131 
1 1 1 8   12 15 o 16.87076 7.506821 -15.91757      43.52917 -91.13973      93.07388 5.141971       49.24695 21.45177 10.06061 20.07493 8.447219 1.376846       13.13664 
1 1 1 8   12 16 o 38.93653 10.73699 138.5271       73.70028 171.1716       101.5296 102.1660       107.1535 43.21414 12.82864 36.42369 13.27357 6.790451       18.45973 
1 1 1 8   12 17 o 91.59756 6.838106 732.5850       106.1889 0.000000       0.000000 732.5850       106.1889 ?        ?        91.59756 6.838106 0.000000       6.838106 
1 1 1 8   12 18 o 64.64566 5.297439 363.4654       57.96638 353.0515       127.4411 366.1819       65.08917 61.28254 12.59877 64.73355 5.954898 -3.451015      13.93520 
1 1 1 8   12 19 o 37.62178 7.691177 128.6107       47.74454 157.3567       97.51396 119.5467       54.75686 41.07182 12.65399 36.02188 8.943010 5.049942       15.49519 
1 1 1 8   12 20 o 43.11780 6.985042 166.9878       49.67196 78.48406       100.0012 195.9759       57.23140 33.01435 12.65899 46.64917 7.433874 -13.63482      14.68035 
1 1 1 8   12 21 o 88.98872 4.920109 689.4410       74.47693 589.4156       144.9158 725.3431       86.82008 79.27697 11.00101 91.02179 5.613024 -11.74482      12.35024 
1 1 1 8   12 22 o 15.84335 7.270517 -28.79660      44.74132 157.5540       91.78304 -86.88039      51.24182 40.21879 12.25622 13.85660 6.746568 26.36219       13.99039 
1 1 1 8   12 23 o 37.32045 8.010657 129.8270       49.52571 87.02614       100.1183 143.6935       56.98637 32.99593 12.66298 39.04176 8.762599 -6.045834      15.39916 
1 1 1 8   13 0  o 174.5454 4.016404 2607.082       119.7148 2552.944       194.8413 2639.914       151.7341 172.3955 6.618402 175.5263 5.062196 -3.130844      8.332410 
1 1 1 8   13 1  o 62.92460 5.113926 341.5400       54.47575 330.5033       83.16697 349.8336       72.09465 61.41048 8.130521 63.45336 6.757415 -2.042873      10.57204 
1 1 1 8   13 2  o 268.0687 4.939026 6157.245       226.0941 6076.247       389.8368 6198.299       277.5398 265.3569 8.603011 268.7261 6.048023 -3.369202      10.51620 
1 1 1 8   13 3  o 129.1835 3.757259 1427.889       82.88578 1446.864       139.4817 1417.531       103.0550 129.7944 6.293025 128.6389 4.691316 1.155441       7.849242 
1 1 1 8   13 4  o 387.6067 6.430693 12909.31       425.6483 12764.78       736.3693 12981.84       521.6209 382.9428 11.26056 388.0847 7.870939 -5.141876      13.73870 
1 1 1 8   13 5  o 97.90686 4.069692 820.6135       68.04193 801.7030       114.8344 830.8447       84.46603 96.27098 7.033818 98.31815 5.047928 -2.047173      8.657723 
1 1 1 8   13 6  o 202.4118 4.454969 3509.595       153.9865 3576.835       266.0748 3475.733       188.8208 203.6980 7.649185 201.2627 5.493947 2.435211       9.417722 
1 1 1 8   13 7  o 258.3352 30.97090 6672.072       1339.042 0.000000       0.000000 6672.072       1339.042 ?        ?        258.3352 30.97090 0.000000       30.97090 
1 1 1 8   13 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   13 10 o 185.5711 4.434319 2950.859       140.5203 2857.584       237.9524 3000.806       174.1249 181.9708 7.657490 186.9637 5.453832 -4.992859      9.401140 
1 1 1 8   13 11 o 92.64786 3.998435 735.1475       63.25973 718.4236       118.5660 741.8028       74.79500 90.89538 7.711395 92.89046 4.730854 -1.995087      9.046911 
1 1 1 8   13 12 o 162.6770 3.727409 2266.318       103.5464 2323.474       207.9701 2247.479       119.3977 163.9911 7.426402 161.9169 4.318191 2.074280       8.590589 
1 1 1 8   13 13 o 87.64768 4.560228 661.1145       68.01844 754.9147       127.7761 624.0240       80.34875 92.92066 8.134522 84.98083 5.567542 7.939827       9.857382 
1 1 1 8   13 14 o 93.41022 4.457462 749.5005       71.10236 785.2344       148.7507 738.9182       80.94884 94.22485 9.368908 92.51701 5.144058 1.707840       10.68821 
1 1 1 8   13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   13 16 o 31.62789 8.449903 90.87386       46.50541 6.566990       97.60098 115.6369       52.89620 27.48776 11.74184 35.57801 8.763879 -8.090246      14.65184 
1 1 1 8   13 17 o 36.66350 7.380300 121.5931       44.60802 168.4205       98.16759 109.4079       50.07668 42.43085 12.61864 34.55883 8.535761 7.872017       15.23447 
1 1 1 8   13 18 o 66.23519 5.069257 381.7115       56.90171 394.7480       112.0982 377.1865       66.04273 65.52509 10.36284 65.60693 5.959879 -0.8184052E-01 11.95444 
1 1 1 8   13 19 o 74.03993 4.858969 476.7315       61.09360 436.2037       117.0507 491.9061       71.62361 68.68603 10.29670 74.98174 5.634900 -6.295715      11.73772 
1 1 1 8   13 20 o 64.07044 5.400314 360.2044       58.53437 348.6874       130.5775 363.1007       65.48225 59.36129 13.22055 64.11145 6.052792 -4.750156      14.54026 
1 1 1 8   13 21 o 25.62340 8.405176 57.74237       42.47178 160.0459       96.78545 33.34379       47.26580 40.45233 12.63042 22.57269 8.691241 17.87964       15.33184 
1 1 1 8   13 22 o 35.94400 8.091096 120.8962       48.46558 98.21629       100.2328 127.8169       55.36850 33.95991 12.75343 36.71982 8.918623 -2.759914      15.56251 
1 1 1 8   14 0  f 132.9645 4.158895 1513.843       94.43121 1459.474       151.2530 1548.572       120.8853 130.0654 6.833843 134.3654 5.268462 -4.300018      8.628911 
1 1 1 8   14 1  o 211.0040 4.038687 3811.846       145.5234 3691.804       242.3591 3879.527       181.9803 207.1269 6.852055 212.7133 5.009885 -5.586441      8.488204 
1 1 1 8   14 2  o 49.71033 6.395637 215.8839       53.03232 274.4227       85.10695 178.7264       67.80571 55.56835 9.297290 44.63842 9.201082 10.92993       13.08050 
1 1 1 8   14 3  o 267.3844 5.282396 6133.888       241.1953 6023.022       416.9181 6189.659       295.7027 263.6471 9.260319 268.2796 6.454545 -4.632538      11.28781 
1 1 1 8   14 4  o 188.4442 14.00270 3152.035       447.3855 3494.664       766.3333 2974.882       551.0369 191.8600 23.90884 180.7764 18.09289 11.08362       29.98309 
1 1 1 8   14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   14 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   14 7  o 62.59298 5.243859 338.5132       55.53390 385.8948       104.5688 319.9000       65.54028 66.03625 9.550336 60.65089 6.425915 5.385357       11.51092 
1 1 1 8   14 8  o 277.8219 5.187003 6624.304       246.0849 6865.679       428.2662 6505.324       300.6794 281.4318 8.911252 274.9457 6.404051 6.486053       10.97371 
1 1 1 8   14 9  o 155.3992 4.152917 2068.968       110.2057 2160.543       195.7398 2026.466       133.3495 158.2509 7.243211 153.6645 5.081781 4.586380       8.848084 
1 1 1 8   14 10 o 163.2275 4.120189 2283.442       114.8451 2183.783       195.3486 2336.079       141.9708 159.0163 7.193936 164.9447 5.040326 -5.928391      8.783940 
1 1 1 8   14 11 o 158.4809 4.259699 2154.392       115.2810 2331.261       201.9064 2068.844       140.4195 164.1589 7.202507 155.1072 5.301436 9.051712       8.943229 
1 1 1 8   14 12 o 102.0724 4.098287 894.0631       71.43528 1092.226       140.0114 824.3244       83.05950 111.9660 7.363845 97.76796 4.991608 14.19808       8.896199 
1 1 1 8   14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   14 14 o 55.73392 5.800120 271.4374       54.39380 501.0701       109.9013 196.9375       62.59852 75.04976 8.738985 46.81054 8.125744 28.23922       11.93305 
1 1 1 8   14 15 o 92.87500 4.000907 741.6715       63.45404 686.3482       131.4823 758.4690       72.44952 87.74257 8.898240 93.83010 4.521593 -6.087532      9.981156 
1 1 1 8   14 16 o 20.50410 8.102165 21.78040       41.95840 2.791217       93.24902 26.60105       46.98334 26.47218 11.39631 21.92472 8.602143 4.547459       14.27840 
1 1 1 8   14 17 o 50.35032 5.544197 222.6841       46.87974 121.3803       121.3814 240.4442       50.82325 38.23920 14.09807 52.27779 5.790272 -14.03859      15.24083 
1 1 1 8   14 18 o 44.41642 6.264019 175.8840       46.19229 30.59696       119.8619 201.2252       50.05893 30.99915 13.11831 47.54337 6.322587 -16.54422      14.56245 
1 1 1 8   14 19 o 75.69196 4.582061 498.6790       58.94695 545.8250       135.4278 487.6592       65.47460 76.17350 10.70682 74.65569 5.167584 1.517815       11.88865 
1 1 1 8   14 20 o 64.87920 4.858217 368.2857       53.43429 199.7705       113.4109 416.3678       60.57967 44.49140 13.63640 68.89276 5.187407 -24.40136      14.58974 
1 1 1 8   14 21 o 34.47860 7.620617 110.7573       43.67463 50.93346       100.7303 124.6074       48.46731 29.92415 12.29136 36.48833 7.999011 -6.564182      14.66498 
1 1 1 8   15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   15 3  o 99.24796 8.278625 857.4136       139.0273 0.000000       0.000000 857.4136       139.0273 ?        ?        99.24796 8.278625 0.000000       8.278625 
1 1 1 8   15 4  o 254.6146 4.994915 5561.715       217.1768 5615.951       378.2058 5535.034       265.2720 254.6255 8.698098 253.7001 6.123066 0.9254913      10.63715 
1 1 1 8   15 5  o 237.6854 4.830744 4845.970       196.0733 4775.259       337.6784 4881.938       240.8311 234.8457 8.420128 238.2912 5.918377 -3.445450      10.29202 
1 1 1 8   15 6  o 120.9658 4.185113 1253.828       86.45131 1324.090       151.3563 1219.805       105.3223 123.6780 7.197608 119.2018 5.174110 4.476204       8.864366 
1 1 1 8   15 7  o 113.6932 4.309653 1108.165       83.67171 1029.454       144.9772 1147.478       102.4576 108.7990 7.856029 115.5867 5.190799 -6.787674      9.416028 
1 1 1 8   15 8  o 111.4215 4.110728 1064.364       78.21497 935.0106       133.3418 1132.217       96.57423 103.6578 7.585583 114.8160 4.925576 -11.15816      9.044466 
1 1 1 8   15 9  o 86.95766 4.773715 651.6077       70.61572 638.8315       110.5340 660.4181       91.78941 85.48634 7.652739 87.27375 6.199282 -1.787415      9.848630 
1 1 1 8   15 10 o 133.2611 4.485176 1525.959       102.0669 1725.087       181.8176 1434.332       123.3340 140.6644 7.597373 128.9699 5.600058 11.69447       9.438258 
1 1 1 8   15 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   15 12 o ?        ?        -419.4405      64.24726 0.000000       0.000000 -419.4405      64.24726 ?        ?        ?        ?        0.000000       ?        
1 1 1 8   15 13 o 15.53140 7.165113 -33.48413      44.25536 2.677359       88.46181 -45.55574      51.11112 25.92823 11.12974 16.20407 7.552170 9.724157       13.45015 
1 1 1 8   15 14 o 108.5794 3.861847 1013.988       71.60521 1099.123       144.2030 986.1267       82.49416 111.6469 7.608910 106.9344 4.517561 4.712585       8.848948 
1 1 1 8   15 15 o 65.80614 4.753729 376.1683       53.06041 511.5276       110.9284 336.0099       60.42088 75.39094 8.780817 61.91611 5.781438 13.47483       10.51322 
1 1 1 8   15 16 o 75.52117 4.211247 493.8654       54.09401 499.4386       116.5039 492.3337       61.07677 73.94976 9.441213 75.25386 4.777519 -1.304100      10.58117 
1 1 1 8   15 17 o 60.39476 4.650317 318.0979       47.59163 373.2872       108.2482 304.8740       52.98746 63.04427 10.41874 58.92716 5.323167 4.117111       11.69984 
1 1 1 8   15 18 o 73.36593 4.082706 467.1160       50.94735 668.7275       116.8978 419.8410       56.60629 85.96732 8.056880 69.32288 4.811536 16.64445       9.384253 
1 1 1 8   15 19 o 105.5253 3.664338 961.9769       66.03193 1355.475       145.6913 860.2478       74.07726 123.2437 6.950937 99.55034 4.357529 23.69333       8.203876 
1 1 1 8   15 20 o 21.33668 7.454402 37.55684       33.43853 10.84712       96.89827 41.16759       35.62710 26.58022 11.52940 22.18057 7.697566 4.399656       13.86289 
1 1 1 8   16 0  o 152.0184 4.440048 1981.301       115.2619 1851.861       198.6790 2046.967       141.5097 146.0888 7.994352 154.3708 5.368082 -8.281982      9.629433 
1 1 1 8   16 1  o 106.7382 8.053558 991.4238       145.7134 0.000000       0.000000 991.4238       145.7134 ?        ?        106.7382 8.053558 0.000000       8.053558 
1 1 1 8   16 2  o 35.59244 10.39151 112.8860       67.09490 19.61810       89.91264 230.0835       100.7891 27.78796 11.53214 50.17509 11.93663 -22.38713      16.59739 
1 1 1 8   16 3  o 45.58641 8.112322 185.2564       60.83673 142.1560       111.9929 203.2990       72.45998 40.87166 13.65941 47.55867 9.255137 -6.687012      16.49961 
1 1 1 8   16 4  o 173.0802 4.435450 2570.048       131.0953 2714.476       229.6717 2500.252       159.6595 177.0636 7.595850 170.4993 5.483656 6.564270       9.368426 
1 1 1 8   16 5  o 40.13221 8.472476 145.1755       56.24111 104.6390       93.02229 168.5303       70.60759 35.85435 12.43845 43.06456 9.819214 -7.210205      15.84714 
1 1 1 8   16 6  o 153.1915 4.344242 2014.632       113.6451 2041.726       202.1678 2002.115       137.4106 153.1291 7.756605 152.5192 5.275867 0.6098938      9.380816 
1 1 1 8   16 7  o 119.2412 4.385497 1221.507       89.29906 1137.943       150.9212 1266.524       110.7704 114.0882 7.793165 121.2370 5.350406 -7.148865      9.453055 
1 1 1 8   16 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   16 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   16 10 o 80.93430 5.112070 567.5262       70.29006 608.2096       119.9968 546.2751       86.72643 82.72818 8.620669 79.04971 6.481662 3.678474       10.78554 
1 1 1 8   16 11 o 41.34097 8.629657 156.1066       58.95423 324.9802       115.7691 96.98048       68.50168 58.89234 11.92056 33.09195 10.66203 25.80038       15.99308 
1 1 1 8   16 12 o 23.18067 8.996703 32.07644       50.96154 -69.54514      91.25385 78.13414       61.43408 21.91478 10.17259 30.15780 10.11657 -8.243029      14.34666 
1 1 1 8   16 13 o 84.84750 4.193071 620.6766       60.75377 834.0788       122.9331 551.7127       69.88436 97.08363 7.472582 79.63655 5.166750 17.44707       9.084867 
1 1 1 8   16 14 o 82.24860 4.263594 585.6943       59.67789 765.2491       121.7134 528.8657       68.47364 92.64748 7.764736 77.88710 5.177702 14.76038       9.332723 
1 1 1 8   16 15 o 74.61310 4.357503 483.3632       55.27928 606.3936       117.1767 448.1435       62.69432 81.80851 8.512320 71.59283 5.162745 10.21568       9.955578 
1 1 1 8   16 16 o 15.97243 7.029787 -7.763391      37.17273 -168.1985      111.7046 12.21578       39.41941 20.61639 10.02025 18.66638 7.680702 1.950016       12.62531 
1 1 1 8   16 17 o 18.83950 7.497423 18.40785       36.16531 -214.6904      114.6398 44.16978       38.11143 19.60852 9.657861 23.01311 7.962846 -3.404594      12.51724 
1 1 1 8   16 18 o 48.31161 5.230548 206.6814       42.46294 132.0108       124.8331 216.4518       45.15565 37.80722 14.22594 49.38022 5.445534 -11.57300      15.23258 
1 1 1 8   17 0  o 51.94035 6.934015 237.5332       59.96653 292.6021       107.8867 212.9139       72.13611 56.49975 11.57129 48.63213 9.018218 7.867615       14.67048 
1 1 1 8   17 1  o 79.00880 5.388233 540.1389       72.26440 512.4410       125.1335 553.9986       88.51681 75.76141 9.909674 79.77095 6.555998 -4.009544      11.88203 
1 1 1 8   17 2  o 94.58979 4.757480 771.3893       76.60110 665.2768       139.0826 817.5920       91.77480 86.52653 9.573256 97.22128 5.550921 -10.69475      11.06616 
1 1 1 8   17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   17 4  o 27.71898 9.585008 62.11662       55.21664 -59.50150      107.7853 105.3898       64.29389 25.01355 11.40526 34.22562 10.21971 -9.212074      15.31413 
1 1 1 8   17 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   17 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   17 7  o 18.48232 8.347078 -27.25504      56.06870 -130.2339      129.9251 -3.688135      62.15416 24.78734 11.70584 21.45077 9.269138 3.336578       14.93129 
1 1 1 8   17 8  o 48.77354 7.164070 212.0283       57.89045 233.8880       114.2970 204.4856       67.13921 49.46928 13.25994 47.46507 8.599892 2.004211       15.80456 
1 1 1 8   17 9  o 106.4253 4.623349 977.4654       84.02402 1074.263       168.8998 945.6307       96.86031 109.5766 9.108850 104.3248 5.455917 5.251770       10.61782 
1 1 1 8   17 10 o 29.30097 9.537656 75.27512       54.72689 33.17562       91.34265 98.85007       68.35346 28.41378 11.69170 33.17985 10.64632 -4.766066      15.81266 
1 1 1 8   17 11 o 48.08160 7.657593 208.6754       60.76545 426.6193       116.6835 127.5732       71.17925 67.93385 10.38833 36.93900 10.67978 30.99485       14.89883 
1 1 1 8   17 12 o 20.63605 8.606197 11.38729       50.42710 95.36990       90.25795 -26.72367      60.80170 33.70565 12.19760 19.24362 8.691449 14.46203       14.97741 
1 1 1 8   17 13 o 87.11882 4.274506 656.8171       63.59162 692.8124       126.1234 644.5471       73.63670 87.38406 8.562030 85.93876 5.039727 1.445305       9.935150 
1 1 1 8   17 14 o 83.43417 4.426485 605.4598       62.84177 703.6841       139.1970 580.3154       70.42738 87.23754 9.497268 81.43855 5.089711 5.798996       10.77512 
1 1 1 8   17 15 o 109.2021 3.855484 1031.248       71.89721 1456.326       159.3713 922.6312       80.56087 127.4812 7.352052 103.0241 4.579137 24.45712       8.661476 
1 1 1 8   17 16 o 75.36281 4.211757 494.6016       53.98599 553.2710       118.6985 479.3001       60.61854 77.03103 9.205935 73.95872 4.826155 3.072304       10.39428 
1 1 1 8   17 17 o 91.16124 3.806853 720.2563       59.26227 736.5408       130.9547 716.0626       66.45660 89.09956 8.718559 90.71387 4.290051 -1.614311      9.716883 
1 1 1 8   18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   18 1  o 105.4601 7.784265 979.2052       139.1961 0.000000       0.000000 979.2052       139.1961 ?        ?        105.4601 7.784265 0.000000       7.784265 
1 1 1 8   18 2  o 25.00878 9.448087 41.94263       55.18913 82.20116       100.6759 24.64723       65.98756 33.75510 12.75882 24.59151 10.00688 9.163597       16.21496 
1 1 1 8   18 3  o 13.98362 6.735461 -70.84379      47.68375 -27.29271      96.22694 -85.01865      54.89799 25.00694 11.14166 14.81356 7.158008 10.19337       13.24287 
1 1 1 8   18 4  o 87.91182 4.894868 669.5389       73.19218 524.2517       133.5406 731.9242       87.50652 75.70351 10.62224 91.72424 5.613705 -16.02074      12.01440 
1 1 1 8   18 5  o 33.14145 14.75070 -25.38423      168.1955 -25.38423      168.1955 0.000000       0.000000 33.14145 14.75070 ?        ?        0.000000       14.75070 
1 1 1 8   18 6  o 69.72713 6.795505 429.1345       79.88596 0.000000       0.000000 429.1345       79.88596 ?        ?        69.72713 6.795505 0.000000       6.795505 
1 1 1 8   18 7  o 40.37807 9.215551 151.2340       62.14229 66.87739       159.3978 166.3531       67.48174 36.93311 15.34330 42.28331 9.569002 -5.350201      18.08266 
1 1 1 8   18 8  o 64.24273 6.604065 365.1525       71.41832 343.5271       166.9870 369.9937       79.00900 57.90888 16.23300 64.42231 7.311373 -6.513432      17.80355 
1 1 1 8   18 9  o 43.63888 8.570828 175.6505       61.59119 -5.002393      195.5536 195.5445       64.89394 35.71661 15.90040 46.10776 8.556965 -10.39115      18.05670 
1 1 1 8   18 10 o 21.86254 9.054197 16.19471       55.25911 -294.3978      158.3257 59.27815       58.96729 22.90923 11.29641 27.22683 9.858165 -4.317602      14.99307 
1 1 1 8   18 11 o 112.8024 5.353765 1111.324       103.1287 1198.270       228.5043 1089.084       115.5683 111.6020 12.18819 111.1392 6.112828 0.4628372      13.63520 
1 1 1 8   18 12 o 42.01730 8.685430 165.4174       60.25978 258.5081       98.83572 110.3383       76.02462 51.34716 11.55146 34.28823 11.24527 17.05893       16.12118 
1 1 1 8   18 13 o 30.73825 9.404152 88.30674       53.96582 180.1587       95.99764 45.86803       65.25256 42.40914 12.44358 26.07647 10.16365 16.33267       16.06681 
1 1 1 8   18 14 o 41.17944 7.683442 157.3111       52.04301 141.9001       119.8119 160.8951       57.77850 38.38271 14.02836 41.33580 8.470051 -2.953091      16.38709 
1 1 1 8   18 15 o 63.51506 4.914038 355.2097       52.88405 441.4772       112.9436 330.9850       59.85036 67.86671 10.04923 60.92678 5.823426 6.939934       11.61462 
1 1 1 8   19 0  o 56.52935 6.481164 282.7705       61.43426 255.3619       98.46848 300.2387       78.61009 51.90260 11.41981 57.68655 8.211791 -5.783947      14.06576 
1 1 1 8   19 1  o 64.36952 5.560066 362.6782       60.51710 405.6959       111.2623 344.6049       72.11791 66.34789 10.14229 62.32431 6.891474 4.023582       12.26208 
1 1 1 8   19 2  o 74.95190 5.229396 489.7232       66.51292 577.9251       119.5503 450.1822       80.04523 79.98196 8.904132 71.39614 6.641522 8.585823       11.10826 
1 1 1 8   19 3  o 48.30130 7.214448 209.5892       57.68254 124.4221       90.20119 268.5153       75.02918 36.90496 12.25600 54.38223 8.345824 -17.47727      14.82775 
1 1 1 8   19 4  o 69.81265 6.450132 430.5652       76.02681 468.4467       160.1559 419.5456       86.37988 68.89812 14.08767 68.50546 7.506824 0.3926620      15.96292 
1 1 1 8   19 5  o 95.83592 5.324618 801.6666       86.79681 851.6822       176.7671 785.7764       99.63517 95.51103 11.04145 94.51105 6.207977 0.9999771      12.66698 
1 1 1 8   19 6  o 24.42603 10.52213 4.635349       79.59444 12.14704       150.6492 1.726491       93.74739 32.57994 14.24974 26.06477 11.32312 6.515171       18.20078 
1 1 1 8   19 7  o 69.85056 8.987615 448.5403       104.7183 506.1806       201.4719 427.2042       122.5767 68.27262 17.26883 66.94247 11.11238 1.330147       20.53528 
1 1 1 8   19 8  o 31.01553 10.81555 84.79523       70.37547 0.000000       0.000000 84.79523       70.37547 ?        ?        31.01553 10.81555 0.000000       10.81555 
1 1 1 8   19 9  o 32.53892 10.44903 98.96500       65.83357 138.4542       160.1536 90.93556       72.21713 40.01920 15.82425 31.76691 10.96300 8.252281       19.25083 
1 1 1 8   19 10 o 74.67815 5.869456 493.7414       74.24712 496.7310       176.8215 493.1014       81.80862 68.25681 15.52097 74.32885 6.510892 -6.072037      16.83129 
1 1 1 8   19 11 o 39.85516 9.776578 153.5251       66.03506 248.8425       201.8902 142.1060       69.87872 47.41046 18.03235 38.14307 10.42892 9.267391       20.83094 
1 1 1 8   19 12 o 30.43208 9.768915 87.14091       57.54638 60.70295       166.6959 90.71796       61.31592 34.99831 15.15142 31.02355 10.09536 3.974754       18.20665 
1 1 1 8   20 0  o 42.58628 7.531448 165.8967       52.76719 200.7818       90.80844 148.1126       64.83692 45.29186 11.66884 39.48201 9.688961 5.809856       15.16699 
1 1 1 8   20 1  o 74.57150 5.585197 489.2542       70.60696 345.6708       119.4797 566.3055       87.52505 59.35697 12.19537 79.86586 6.473238 -20.50889      13.80688 
1 1 1 8   20 2  o 101.2313 4.740789 891.3785       81.95350 747.6926       128.8428 989.0150       106.2085 90.61701 8.422615 105.9528 5.893397 -15.33576      10.27972 
1 1 1 8   20 3  o 56.17025 8.125863 289.4153       75.67818 178.0180       186.2031 311.4574       82.82763 43.53049 17.11028 58.06783 8.614082 -14.53734      19.15631 
1 1 1 8   20 4  o 19.96791 9.036238 -26.91296      66.09413 39.18115       180.0165 -37.21088      71.05678 35.54171 15.56018 20.12655 9.208946 15.41516       18.08103 
1 1 1 8   20 5  o 53.77177 9.019036 270.6418       79.88393 154.9812       190.7772 295.2327       87.96711 41.98396 17.04114 55.92717 9.553851 -13.94321      19.53654 
1 1 1 8   20 6  o 106.2187 5.258166 988.0992       95.37557 968.3655       219.4118 992.6967       105.9045 98.10992 13.45025 105.9910 5.874150 -7.881042      14.67702 
1 1 1 8   20 7  o 70.30190 8.862551 459.4021       104.0323 511.8196       204.0683 440.9960       120.9258 66.72266 17.64122 67.55545 10.84953 -0.8327866     20.71050 
1 1 1 8   20 8  o 25.26261 10.01539 40.75622       64.30997 -49.64707      160.2677 58.10601       70.21034 29.68067 13.67210 27.66179 10.60699 2.018879       17.30418 
1 1 1 8   20 9  o 27.47684 11.09838 47.52077       80.49380 282.1079       166.0415 -24.54705      92.03125 49.39113 16.63140 23.65056 10.68643 25.74057       19.76874 
1 1 1 8   21 0  o 33.85022 9.435908 110.0090       56.58783 104.0134       88.12879 114.2151       73.81493 33.66536 12.06936 34.41806 11.06556 -0.7527046     16.37425 
1 1 1 8   21 1  o 41.85722 10.29641 171.5323       73.08966 174.7834       158.5903 170.6556       82.35760 41.71561 15.95443 41.32996 11.33084 0.3856506      19.56864 
1 1 1 8   21 2  o 42.32364 9.797033 173.8978       69.40824 301.0774       183.9151 152.7759       74.95059 50.67744 17.49482 39.25515 10.82885 11.42229       20.57505 
1 1 1 8   21 3  o 31.35026 10.54941 92.18842       66.80551 -155.4640      185.9866 128.8741       71.58277 28.25351 13.52846 36.14544 10.78130 -7.891933      17.29901 
1 1 1 8   21 4  o 58.63938 7.243975 314.6092       70.99631 293.8085       162.5912 319.5095       78.91734 50.30679 16.44268 58.62936 8.098563 -8.322563      18.32890 
1 1 1 8   21 5  f 31.12282 10.59319 91.17315       67.36874 232.6604       157.9345 59.70274       74.48515 45.31912 16.16667 28.00334 10.87439 17.31579       19.48367 
1 1 1 9   0  0  o 151.5982 6.040293 1973.783       155.8062 1973.783       155.8062 1973.783       155.8062 151.5982 6.040293 151.5982 6.040293 0.000000       0.000000 
1 1 1 9   0  1  o 329.3337 6.219337 9280.149       349.4883 9280.149       349.4883 9280.149       349.4883 329.3337 6.219337 329.3337 6.219337 0.000000       0.000000 
1 1 1 9   0  2  o 480.9534 9.214143 19808.49       756.1364 19808.49       756.1364 19808.49       756.1364 480.9534 9.214143 480.9534 9.214143 0.000000       0.000000 
1 1 1 9   0  3  o 88.94643 4.015806 679.8164       60.71318 679.8164       60.71318 679.8164       60.71318 88.94643 4.015806 88.94643 4.015806 0.000000       0.000000 
1 1 1 9   0  4  o 123.6940 4.792218 1312.696       100.8798 1312.696       100.8798 1312.696       100.8798 123.6940 4.792218 123.6940 4.792218 0.000000       0.000000 
1 1 1 9   0  5  o 42.75634 4.831201 162.0299       34.11368 162.0299       34.11368 162.0299       34.11368 42.75634 4.831201 42.75634 4.831201 0.000000       0.000000 
1 1 1 9   0  6  o 99.13477 4.203881 843.8499       70.87590 843.8499       70.87590 843.8499       70.87590 99.13477 4.203881 99.13477 4.203881 0.000000       0.000000 
1 1 1 9   0  7  f 265.1557 6.591990 6018.152       298.0660 6018.152       298.0660 6018.152       298.0660 265.1557 6.591990 265.1557 6.591990 0.000000       0.000000 
1 1 1 9   0  8  o 381.5355 8.313738 12460.92       541.0876 12460.92       541.0876 12460.92       541.0876 381.5355 8.313738 381.5355 8.313738 0.000000       0.000000 
1 1 1 9   0  9  o 207.9773 5.395627 3702.623       191.3368 3702.623       191.3368 3702.623       191.3368 207.9773 5.395627 207.9773 5.395627 0.000000       0.000000 
1 1 1 9   0  10 o 357.5663 7.591197 10945.07       463.0488 10945.07       463.0488 10945.07       463.0488 357.5663 7.591197 357.5663 7.591197 0.000000       0.000000 
1 1 1 9   0  11 f 99.80047 5.174967 857.8773       87.65324 857.8773       87.65324 857.8773       87.65324 99.80047 5.174967 99.80047 5.174967 0.000000       0.000000 
1 1 1 9   0  12 o 211.4880 5.376390 3830.008       193.8847 3830.008       193.8847 3830.008       193.8847 211.4880 5.376390 211.4880 5.376390 0.000000       0.000000 
1 1 1 9   0  13 o 202.3746 6.773624 3515.224       233.4936 3515.224       233.4936 3515.224       233.4936 202.3746 6.773624 202.3746 6.773624 0.000000       0.000000 
1 1 1 9   0  14 o 156.8760 7.369425 2120.679       196.4278 2120.679       196.4278 2120.679       196.4278 156.8760 7.369425 156.8760 7.369425 0.000000       0.000000 
1 1 1 9   0  15 o 176.3694 4.914000 2665.669       147.7397 2665.669       147.7397 2665.669       147.7397 176.3694 4.914000 176.3694 4.914000 0.000000       0.000000 
1 1 1 9   0  16 o 217.1453 5.395641 4040.814       199.7971 4040.814       199.7971 4040.814       199.7971 217.1453 5.395641 217.1453 5.395641 0.000000       0.000000 
1 1 1 9   0  17 o 43.63391 12.85037 201.0232       83.21613 201.0232       83.21613 201.0232       83.21613 43.63391 12.85037 43.63391 12.85037 0.000000       0.000000 
1 1 1 9   0  18 o 31.15016 20.23560 -5.817838      257.7260 -5.817838      257.7260 -5.817838      257.7260 31.15016 20.23560 31.15016 20.23560 0.000000       0.000000 
1 1 1 9   0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  20 o 145.8780 5.452660 1829.179       135.4007 1829.179       135.4007 1829.179       135.4007 145.8780 5.452660 145.8780 5.452660 0.000000       0.000000 
1 1 1 9   0  21 o 189.0870 5.806216 3072.170       187.0806 3072.170       187.0806 3072.170       187.0806 189.0870 5.806216 189.0870 5.806216 0.000000       0.000000 
1 1 1 9   0  22 o 16.99923 11.19359 -14.10115      82.84649 -14.10115      82.84649 -14.10115      82.84649 16.99923 11.19359 16.99923 11.19359 0.000000       0.000000 
1 1 1 9   0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  24 o 99.61041 6.424561 864.7435       108.2398 864.7435       108.2398 864.7435       108.2398 99.61041 6.424561 99.61041 6.424561 0.000000       0.000000 
1 1 1 9   0  25 o 60.48653 10.65509 347.0542       99.85764 347.0542       99.85764 347.0542       99.85764 60.48653 10.65509 60.48653 10.65509 0.000000       0.000000 
1 1 1 9   0  26 o 126.2489 5.980079 1384.625       128.2656 1384.625       128.2656 1384.625       128.2656 126.2489 5.980079 126.2489 5.980079 0.000000       0.000000 
1 1 1 9   0  27 o 110.8492 6.120476 1072.491       115.0489 1072.491       115.0489 1072.491       115.0489 110.8492 6.120476 110.8492 6.120476 0.000000       0.000000 
1 1 1 9   0  28 o 14.50881 10.21123 -102.1219      98.98782 -102.1219      98.98782 -102.1219      98.98782 14.50881 10.21123 14.50881 10.21123 0.000000       0.000000 
1 1 1 9   1  0  o 199.6049 4.673249 3406.261       159.2913 3358.726       267.1808 3432.474       198.4095 197.9688 7.903267 200.3013 5.800650 -2.332581      9.803529 
1 1 1 9   1  1  o 358.4159 5.973492 10988.47       365.6095 11195.52       615.4736 10875.58       454.4876 361.1889 9.978681 356.3874 7.467886 4.801483       12.46368 
1 1 1 9   1  2  o 93.85742 3.112157 752.4616       49.88065 659.3431       81.67695 807.8486       62.99199 87.64991 5.484497 97.24089 3.793451 -9.590981      6.668581 
1 1 1 9   1  3  o 383.1375 5.673491 12547.45       371.1992 12443.55       531.0914 12646.68       519.0262 381.3262 8.155878 384.4520 7.905791 -3.125793      11.35869 
1 1 1 9   1  4  o 156.4413 3.037266 2090.221       81.14021 2149.642       115.3307 2031.984       114.1772 158.6287 4.257564 154.2249 4.335338 4.403763       6.076348 
1 1 1 9   1  5  o 278.0551 4.038587 6604.380       191.7619 6359.436       270.8749 6850.476       271.5106 272.7833 5.814992 283.1279 5.615678 -10.34464      8.083933 
1 1 1 9   1  6  o 124.9006 2.884859 1332.311       61.53060 1273.647       87.24618 1390.365       86.79042 122.1036 4.184234 127.5788 3.983742 -5.475227      5.777371 
1 1 1 9   1  7  o 279.0171 4.028096 6650.417       191.9254 7090.937       276.0566 6238.278       267.0161 288.0426 5.612283 270.1618 5.787774 17.88077       8.062013 
1 1 1 9   1  8  o 209.2467 3.699654 3740.122       132.1970 3720.461       185.0239 3760.626       188.9474 208.6501 5.192870 209.7704 5.274663 -1.120300      7.401890 
1 1 1 9   1  9  o 521.6118 5.833694 23260.27       519.6284 23470.27       735.1578 23050.60       734.5737 523.6356 8.221470 518.9222 8.289554 4.713440       11.67516 
1 1 1 9   1  10 o 64.26896 3.803425 354.1386       41.55668 434.5945       59.82658 279.1255       57.76754 71.13253 4.956169 56.80967 6.047683 14.32286       7.819085 
1 1 1 9   1  11 o 254.4748 3.999916 5534.061       173.8191 5289.263       248.6122 5768.152       243.1148 248.6579 5.854884 259.7009 5.481961 -11.04303      8.020696 
1 1 1 9   1  12 o 149.1111 4.204805 1900.691       107.0675 1979.104       151.6507 1822.760       151.1830 152.0714 5.839760 145.9278 6.066846 6.143524       8.420774 
1 1 1 9   1  13 o 189.2827 3.602026 3062.418       116.4286 3219.223       168.7305 2919.900       160.8611 193.9632 5.094159 184.7254 5.099440 9.237701       7.207964 
1 1 1 9   1  14 o 110.4854 3.972359 1043.893       74.94715 948.2040       122.7785 1100.725       94.62146 104.9134 6.891467 113.4079 4.885896 -8.494560      8.447740 
1 1 1 9   1  15 o 107.3787 3.907524 986.1682       71.65092 933.4894       92.21600 1066.420       113.8196 104.4043 5.172327 111.3726 6.006838 -6.968269      7.926857 
1 1 1 9   1  16 o 98.88150 4.000528 836.5338       67.55139 849.3878       94.75886 823.2513       96.32458 99.38493 5.606271 97.81538 5.792513 1.569542       8.061234 
1 1 1 9   1  17 o 112.1597 3.857335 1076.353       73.87988 1067.003       99.98812 1087.596       109.6418 111.5723 5.247956 112.4583 5.728264 -0.8860626     7.768787 
1 1 1 9   1  18 o 80.56152 15.94251 593.6348       211.5595 457.6484       280.1682 774.0431       322.7003 70.29551 21.41149 90.50610 21.24382 -20.21059      30.16209 
1 1 1 9   1  19 o 129.8869 4.004380 1444.061       88.81831 1507.438       126.0978 1381.659       125.1240 132.5522 5.570810 126.8790 5.774959 5.673218       8.023969 
1 1 1 9   1  20 o 306.5399 4.760468 8054.401       249.1945 8007.310       351.3045 8102.093       353.5346 305.0474 6.743951 306.8464 6.746971 -1.799042      9.539523 
1 1 1 9   1  21 o 35.75514 9.105602 115.2987       55.74703 126.0508       77.48673 103.7623       80.26295 37.64715 11.21434 35.05497 11.55727 2.592182       16.10379 
1 1 1 9   1  22 o 22.74738 9.128440 22.44173       54.07115 49.58193       76.86430 -4.146102      76.07808 28.68258 11.07220 23.84895 10.28027 4.833633       15.10886 
1 1 1 9   1  23 o 110.4292 4.373098 1047.939       82.46601 973.4323       118.1284 1118.768       115.1767 105.8107 6.570138 113.6389 5.955934 -7.828217      8.867912 
1 1 1 9   1  24 o 131.6629 4.128169 1490.526       92.81602 1402.153       128.4025 1587.233       134.3208 127.2353 5.909676 135.4049 5.809077 -8.169556      8.286716 
1 1 1 9   1  25 o 221.0867 4.178847 4209.088       157.7688 4085.766       220.0684 4339.492       226.2995 216.8882 5.941825 223.5296 5.928525 -6.641418      8.393611 
1 1 1 9   1  26 o 33.15325 9.849674 101.3514       59.83407 186.8041       81.59172 1.929380       88.00843 44.37804 10.85593 25.53674 11.03226 18.84130       15.47779 
1 1 1 9   1  27 o 27.87739 10.01126 63.16446       60.65987 52.00953       82.20365 76.50050       89.88161 28.72284 11.34354 31.70274 12.03804 -2.979902      16.54057 
1 1 1 9   1  28 o 43.41523 9.735581 179.4337       70.39724 115.7075       106.5457 228.8086       93.78426 36.07187 13.22208 48.31506 11.52782 -12.24319      17.54178 
1 1 1 9   2  0  o 460.1038 8.835141 18151.40       694.1786 18000.28       981.4804 18302.66       981.9532 457.2027 12.57103 461.0575 12.47193 -3.854797      17.70819 
1 1 1 9   2  1  o 254.9055 6.631932 5558.985       288.6829 5560.129       407.9806 5557.838       408.5386 254.6781 9.380932 254.6240 9.395757 0.5407715E-01  13.27713 
1 1 1 9   2  2  o 332.2377 5.823833 9436.686       330.4149 9033.033       555.6940 9657.445       410.9523 324.6517 10.02343 335.9925 7.162422 -11.34085      12.31947 
1 1 1 9   2  3  o 255.7137 4.120445 5586.131       179.9286 5633.502       301.9315 5560.044       224.0592 256.6732 6.888523 255.0781 5.143845 1.595123       8.597144 
1 1 1 9   2  4  o 433.3963 7.174258 16061.22       530.9628 14692.69       894.1580 16806.62       659.9067 413.8826 12.65130 443.1845 8.719589 -29.30194      15.36511 
1 1 1 9   2  5  o 55.92472 3.525737 268.1965       33.49861 256.5102       48.62836 278.7504       46.21230 54.53355 5.288311 56.91691 4.799379 -2.383362      7.141447 
1 1 1 9   2  6  o 340.6412 4.616264 9913.788       268.5281 9536.542       379.8067 10290.83       379.7056 333.9836 6.659407 346.9572 6.408688 -12.97360      9.242239 
1 1 1 9   2  7  o 642.2411 7.767739 35284.66       851.9118 34870.11       1204.860 35699.11       1204.710 637.8406 11.06172 645.4070 10.93067 -7.566406      15.55125 
1 1 1 9   2  8  o 118.8876 3.484035 1207.327       70.73285 1368.935       103.2234 1064.271       97.11824 126.5717 4.775728 111.5958 5.096252 14.97585       6.984222 
1 1 1 9   2  9  o 334.8397 5.216547 9583.010       298.2785 9516.144       422.4915 9649.459       421.1706 333.4905 7.418781 335.8255 7.344165 -2.335022      10.43911 
1 1 1 9   2  10 o 381.6715 6.269144 12461.09       408.6015 12432.54       507.9571 12513.42       687.7816 381.0400 7.806466 381.8258 10.54832 -0.7857666     13.12280 
1 1 1 9   2  11 o 246.3521 4.466772 5187.813       187.9109 5592.661       328.0801 4990.162       229.2369 255.5146 7.519037 241.5374 5.557738 13.97717       9.350101 
1 1 1 9   2  12 o 337.0496 4.814691 9715.688       277.1176 9658.874       393.2549 9771.726       390.5659 335.7791 6.858335 337.7490 6.771710 -1.969971      9.638091 
1 1 1 9   2  13 o 413.4437 5.490005 14633.25       387.6065 15308.44       549.8396 13966.27       546.4924 422.3625 7.623401 403.3382 7.934379 19.02432       11.00321 
1 1 1 9   2  14 o 217.9348 3.934224 4061.667       146.4157 4222.611       210.5616 3910.993       203.7333 222.0386 5.553270 213.6851 5.583234 8.353561       7.874726 
1 1 1 9   2  15 o 92.10357 3.937298 725.6097       61.92652 723.2919       103.1624 726.9154       77.42862 91.56815 6.642628 92.00687 4.946251 -0.4387283     8.281902 
1 1 1 9   2  16 f 99.21008 4.676325 842.7861       79.22504 836.7791       108.5400 849.6360       115.9045 98.51670 6.488069 99.21451 6.883641 -0.6978073     9.459363 
1 1 1 9   2  17 o 185.2244 3.623843 2934.823       114.6224 2933.126       162.2645 2936.513       161.9371 184.9962 5.136400 185.1048 5.123028 -0.1085968     7.254517 
1 1 1 9   2  18 o 50.33167 20.13264 132.9847       262.0810 168.1928       476.0505 117.6729       313.9394 63.59541 26.47574 52.90212 21.71081 10.69329       34.23922 
1 1 1 9   2  19 o 127.3849 4.089069 1389.174       88.94966 1446.944       125.4951 1330.851       126.0947 129.8497 5.659580 124.5008 5.930928 5.348869       8.197972 
1 1 1 9   2  20 o 284.6554 4.573851 6943.834       222.3327 6905.079       314.9495 6982.332       313.9050 283.3301 6.509480 284.9292 6.451479 -1.599121      9.164874 
1 1 1 9   2  21 o 192.7728 3.962316 3183.932       130.4358 3186.573       183.9661 3181.263       184.9662 192.5230 5.595686 192.3542 5.631043 0.1688385      7.938536 
1 1 1 9   2  22 o 80.10181 6.438898 557.8468       87.33147 458.4422       138.2533 623.8454       112.6522 71.02101 11.81458 84.36729 7.911626 -13.34628      14.21894 
1 1 1 9   2  23 o 61.91208 6.142079 334.6806       64.08007 309.5461       89.46634 361.1582       91.82552 58.70507 9.229020 63.67492 8.670303 -4.969849      12.66290 
1 1 1 9   2  24 o 44.19013 7.974294 176.0221       57.96133 203.1244       80.03658 146.1336       84.05003 46.90559 10.27631 39.78727 11.63474 7.118317       15.52320 
1 1 1 9   2  25 o 19.12688 8.351587 -7.716420      51.55410 -64.15292      66.46596 77.51485       81.68056 18.08940 8.489475 31.60681 11.57817 -13.51741      14.35706 
1 1 1 9   2  26 o 97.88822 4.607878 829.0596       77.02529 785.0180       103.0030 884.9310       116.0146 94.46806 6.423177 100.1385 6.825064 -5.670425      9.372231 
1 1 1 9   2  27 o 67.17035 5.740120 397.0247       65.20938 530.3735       87.20411 227.8766       98.21459 77.32641 6.669237 48.34882 11.96135 28.97759       13.69498 
1 1 1 9   2  28 o 42.63506 10.04955 174.4132       71.97128 239.2754       101.1740 107.9660       102.4027 49.06595 12.14110 35.09799 12.94752 13.96796       17.74949 
1 1 1 9   3  0  o 279.4491 6.038013 6678.459       288.1368 6391.152       415.8872 6943.672       399.5759 273.1128 8.917263 284.7487 8.217422 -11.63589      12.12615 
1 1 1 9   3  1  o 486.9457 9.040751 20307.98       751.7734 18980.66       1062.818 21637.05       1063.519 469.9386 13.24389 501.9479 12.40751 -32.00937      18.14792 
1 1 1 9   3  2  o 158.6945 4.620915 2151.767       125.2252 2182.719       176.6568 2120.505       177.5368 159.7787 6.474549 157.4809 6.601742 2.297791       9.246771 
1 1 1 9   3  3  o 462.2695 7.175583 18273.10       566.4406 17634.13       954.0662 18620.95       703.9349 453.4555 12.32088 466.4686 8.837067 -13.01309      15.16239 
1 1 1 9   3  4  o 213.1936 5.539025 3884.162       201.6552 3545.433       349.1776 4053.671       247.0114 203.4833 10.04884 217.7545 6.642749 -14.27126      12.04596 
1 1 1 9   3  5  o 845.0185 11.89274 61219.61       1716.130 61120.84       2894.919 61273.13       2130.927 841.1115 20.15491 844.4457 14.77730 -3.334290      24.99178 
1 1 1 9   3  6  o 231.3404 4.655531 4572.597       183.9174 4334.179       309.2170 4703.115       228.7855 225.0805 8.044954 234.5796 5.711319 -9.499100      9.866127 
1 1 1 9   3  7  o 246.3935 3.946062 5186.228       166.0333 5211.623       235.1318 5160.973       234.4826 246.9334 5.576089 245.7300 5.587924 1.203415       7.894154 
1 1 1 9   3  8  f 558.5040 6.974077 26679.87       665.1429 26120.74       940.8429 27238.54       940.4655 552.1160 9.978951 563.8480 9.767399 -11.73199      13.96358 
1 1 1 9   3  9  o 423.2452 6.332128 15320.96       457.6607 16290.06       569.7864 13559.01       768.2870 436.2578 7.648336 397.4329 11.32030 38.82492       13.66185 
1 1 1 9   3  10 o 145.2574 4.295579 1803.269       106.5521 2107.510       201.1969 1684.679       125.6136 156.8810 7.510160 140.3674 5.240449 16.51357       9.157773 
1 1 1 9   3  11 f 273.5446 3.853494 6394.841       180.0051 6411.933       256.1225 6378.160       253.0369 273.7809 5.478261 273.0637 5.426478 0.7171936      7.710902 
1 1 1 9   3  12 o 193.0312 3.994798 3185.359       131.6814 3245.180       188.5842 3128.440       183.9534 194.7145 5.671593 191.1832 5.634508 3.531281       7.994663 
1 1 1 9   3  13 f 65.00513 3.943303 362.6441       43.56643 369.1783       62.83256 356.5939       60.46035 65.41327 5.681354 64.29472 5.561491 1.118546       7.950344 
1 1 1 9   3  14 o 22.07342 7.840455 36.03287       37.10846 109.6442       57.49877 -16.51346      48.57999 35.07374 9.406399 18.01052 7.976064 17.06322       12.33280 
1 1 1 9   3  15 f 55.88474 5.599403 270.3238       52.71748 247.4164       74.72427 293.0232       74.38444 52.94158 8.557307 57.87390 7.719014 -4.932316      11.52435 
1 1 1 9   3  16 o 117.1588 3.790056 1174.247       75.82679 1211.067       124.2194 1152.378       95.73205 118.6379 6.152583 115.9928 4.833084 2.645119       7.823872 
1 1 1 9   3  17 o 63.39531 5.194960 346.7930       55.74554 298.4643       75.84407 403.5789       82.21270 58.35949 7.805998 68.12542 7.174748 -9.765934      10.60239 
1 1 1 9   3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   3  19 o 209.5730 4.049927 3760.162       144.9388 3866.835       208.3936 3660.214       201.7180 212.2367 5.749924 206.4941 5.720514 5.742523       8.110851 
1 1 1 9   3  20 o 183.4069 3.977104 2880.462       124.5617 2869.599       180.6385 2890.311       171.9930 182.7652 5.787819 183.4799 5.489343 -0.7147369     7.976950 
1 1 1 9   3  21 o 221.9708 4.109489 4223.625       155.7707 4309.198       223.6158 4142.957       217.1141 223.7536 5.852353 219.4123 5.794621 4.341232       8.235755 
1 1 1 9   3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   3  23 o 51.66206 8.569160 239.6043       72.94901 305.1967       126.3031 206.7704       89.36101 56.97455 13.23466 47.25083 11.23862 9.723721       17.36268 
1 1 1 9   3  24 f 46.73615 7.412145 195.3102       57.18169 122.1430       75.12226 296.1011       88.17006 36.59845 11.07376 57.14389 9.359569 -20.54544      14.49930 
1 1 1 9   3  25 o 34.35894 9.750377 108.7962       59.86346 71.80377       87.28340 141.6525       82.25924 31.45120 11.88186 38.95954 11.54300 -7.508333      16.56561 
1 1 1 9   3  26 o 50.82880 7.610045 233.3262       64.02218 250.2859       87.03290 213.3271       94.51073 51.64767 10.22984 47.02773 11.79063 4.619946       15.60989 
1 1 1 9   3  27 o 79.92837 5.164403 558.3421       70.11231 494.6763       104.1784 611.0527       94.79247 73.81641 8.415020 82.97123 6.748764 -9.154823      10.78695 
1 1 1 9   3  28 o 61.86341 7.120574 345.0218       73.85060 423.9498       109.1245 278.3268       100.3122 67.18603 9.799779 53.38266 11.35326 13.80337       14.99774 
1 1 1 9   4  0  o 320.8661 6.278261 8802.667       344.0053 8425.211       496.9606 9149.926       476.6676 313.6574 9.278216 326.9439 8.537690 -13.28650      12.60863 
1 1 1 9   4  1  o 341.9133 6.576721 9995.172       383.9966 9759.179       554.6362 10212.43       532.1667 337.5933 9.620830 345.4039 9.022328 -7.810608      13.18950 
1 1 1 9   4  2  o 243.0429 5.484141 5047.970       227.6111 4929.185       328.0973 5158.174       316.0235 240.0480 8.003919 245.5864 7.535518 -5.538422      10.99303 
1 1 1 9   4  3  o 105.5872 3.881900 952.3177       69.99349 942.3460       95.89379 963.6877       102.3975 104.8749 5.372512 106.0384 5.675471 -1.163498      7.815040 
1 1 1 9   4  4  o 707.1063 10.01336 42816.89       1209.111 43818.74       2039.134 42273.65       1501.560 713.4593 16.73689 702.0259 12.52528 11.43335       20.90469 
1 1 1 9   4  5  o 157.2532 4.326627 2112.611       116.1852 2011.520       194.6360 2168.575       144.8172 153.3592 7.432097 159.2991 5.323596 -5.939850      9.142032 
1 1 1 9   4  6  f 388.8439 5.887434 12924.34       390.9339 13145.72       658.6768 12803.95       485.7385 391.7666 9.845620 386.9076 7.351794 4.858948       12.28760 
1 1 1 9   4  7  o 214.0453 4.411084 3914.529       161.2326 3945.665       271.6949 3897.604       200.3179 214.7616 7.408375 213.5420 5.493317 1.219650       9.222828 
1 1 1 9   4  8  o 230.7172 5.424204 4550.268       213.7066 4302.253       301.7490 4799.860       302.7068 224.1966 7.881608 236.8360 7.484668 -12.63933      10.86922 
1 1 1 9   4  9  o 540.0007 9.164565 24997.32       845.0999 23083.78       3013.194 25160.69       880.4373 504.2734 35.21225 541.6776 9.518219 -37.40417      36.47601 
1 1 1 9   4  10 o 110.4872 3.444419 1043.019       64.98753 988.6206       98.05344 1085.634       86.78690 107.5161 5.340569 112.6944 4.509725 -5.178322      6.989943 
1 1 1 9   4  11 o 125.5732 3.492162 1347.521       74.88477 1419.693       113.9823 1292.712       99.32948 128.8265 5.181200 122.9493 4.730968 5.877136       7.016188 
1 1 1 9   4  12 o 333.0296 4.630985 9486.947       263.3650 9779.014       375.2835 9203.525       369.6883 337.8189 6.505395 327.7097 6.606090 10.10922       9.271494 
1 1 1 9   4  13 o 168.5757 3.903823 2430.060       112.3795 2528.238       189.9073 2377.153       139.4089 171.7208 6.476148 166.6584 4.898480 5.062424       8.120073 
1 1 1 9   4  14 o 116.2711 3.432262 1155.811       68.14817 1125.552       103.9086 1178.650       90.27522 114.6343 5.308049 117.3586 4.504554 -2.724304      6.961781 
1 1 1 9   4  15 o 255.0132 4.276402 5565.441       186.2272 5430.008       264.1063 5699.364       262.6300 251.5821 6.147479 257.7821 5.966088 -6.199966      8.566545 
1 1 1 9   4  16 o 334.2950 4.947039 9574.493       282.4081 9737.810       402.0948 9415.506       396.7298 336.5604 6.996222 330.9360 7.020190 5.624359       9.911115 
1 1 1 9   4  17 o 280.3409 15.40007 6969.712       734.4184 7320.377       1036.227 6615.783       1041.039 282.2977 21.66058 267.0687 23.05256 15.22900       31.63228 
1 1 1 9   4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   4  19 o 93.97224 3.915979 755.9606       62.84082 772.5444       93.95770 742.5382       84.52892 94.67020 5.840406 92.87767 5.352233 1.792526       7.921916 
1 1 1 9   4  20 o 245.3100 4.316475 5157.166       180.8200 5253.203       260.2322 5067.516       251.4310 247.1084 6.166967 242.7314 6.065839 4.376923       8.650196 
1 1 1 9   4  21 o 138.7732 4.018108 1651.147       95.22023 1632.165       142.3567 1666.515       128.0933 137.6110 6.057913 139.1875 5.389201 -1.576523      8.108131 
1 1 1 9   4  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   4  23 o 179.0535 3.931542 2753.696       120.2119 2894.819       175.3430 2628.539       165.1272 183.0237 5.610212 174.4276 5.543721 8.596100       7.887162 
1 1 1 9   4  24 o 44.50281 9.173973 181.4977       67.40096 171.8129       90.83627 193.3621       100.5393 42.79198 11.96450 45.23053 12.56644 -2.438549      17.35121 
1 1 1 9   4  25 o 70.80005 5.485522 437.6905       65.80368 520.0589       94.40060 359.8388       91.77581 76.58829 7.306510 63.05297 8.760235 13.53532       11.40731 
1 1 1 9   4  26 o 26.82357 9.852894 55.38661       59.20940 128.1718       98.68726 14.45131       74.00966 37.41275 12.82076 24.49768 10.33433 12.91507       16.46725 
1 1 1 9   4  27 o 48.83773 8.370672 219.6249       67.29790 173.1804       118.9085 241.5128       81.62959 42.04601 14.07471 50.64512 9.792839 -8.599113      17.14635 
1 1 1 9   4  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   5  0  o 102.0391 3.967778 889.4201       69.13783 871.5923       96.15334 908.5040       99.48296 100.8321 5.606378 102.9463 5.680939 -2.114212      7.981512 
1 1 1 9   5  1  o 216.8976 4.687261 4019.374       173.6104 3633.608       243.9301 4415.378       247.1459 206.1486 6.929200 227.2701 6.368088 -21.12151      9.410971 
1 1 1 9   5  2  o 217.0628 6.135371 4027.359       227.4197 3839.659       327.6777 4201.793       315.8864 211.8069 9.059513 221.6101 8.347174 -9.803223      12.31869 
1 1 1 9   5  3  o 313.9889 5.540948 8425.592       297.0984 8607.971       429.3031 8257.961       411.5785 317.2164 7.925132 310.7126 7.756966 6.503815       11.08955 
1 1 1 9   5  4  o 264.7119 5.809124 5989.286       262.5947 5798.200       379.3622 6165.066       363.8532 260.2966 8.534609 268.4462 7.937195 -8.149567      11.65498 
1 1 1 9   5  5  o 440.7992 6.829725 16615.62       514.0980 17280.85       890.1257 16282.64       629.7513 448.8897 11.61207 436.1830 8.454705 12.70676       14.36392 
1 1 1 9   5  6  o 226.3954 3.809530 4378.539       147.2790 4928.321       248.1055 4079.396       183.0122 240.0951 6.051334 218.4881 4.905128 21.60701       7.789667 
1 1 1 9   5  7  o 237.3092 4.346196 4811.960       176.1270 5425.520       249.3820 4201.351       248.7815 251.9124 5.797137 221.6368 6.573160 30.27556       8.764316 
1 1 1 9   5  8  o 320.0998 6.504218 8765.813       355.5351 9039.677       1714.368 8753.504       363.4365 316.4977 32.16693 319.8605 6.653742 -3.362762      32.84789 
1 1 1 9   5  9  o 68.96465 5.101209 408.8964       59.64983 491.0716       99.74563 363.1471       74.42446 75.30279 7.873181 64.77563 6.831271 10.52716       10.42369 
1 1 1 9   5  10 o 297.2653 4.724283 7556.136       239.8182 8018.518       403.7316 7304.039       298.1100 305.8484 7.730090 292.1355 5.975720 13.71292       9.770544 
1 1 1 9   5  11 o 222.7011 4.688327 4242.091       178.2963 4332.877       299.7591 4192.388       221.7961 224.7215 7.811344 221.2824 5.869553 3.439056       9.770811 
1 1 1 9   5  12 o 102.8305 4.406004 904.5137       77.36935 898.7990       111.9058 909.7469       107.0868 102.1978 6.445246 102.8589 6.124378 -0.6611099     8.890962 
1 1 1 9   5  13 o 323.1424 4.738636 8937.219       261.4864 8912.438       372.9134 8961.187       366.7586 322.2907 6.775765 323.2011 6.645163 -0.9104004     9.490479 
1 1 1 9   5  14 o 171.0988 3.473862 2503.256       101.4989 2469.255       149.1599 2532.576       138.5131 169.7840 5.144619 171.9914 4.716090 -2.207382      6.979156 
1 1 1 9   5  15 o 50.82740 5.183222 223.6576       44.35876 328.8913       69.84723 152.5230       57.42650 61.51062 6.761200 41.33331 8.421864 20.17731       10.80007 
1 1 1 9   5  16 o 182.8222 3.754531 2859.743       117.2159 3097.143       171.0500 2649.557       160.9475 190.0692 5.269985 175.7870 5.361614 14.28215       7.517955 
1 1 1 9   5  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   5  18 o 48.34909 5.977948 203.7446       48.30474 171.7328       84.80915 219.1162       58.76897 43.59434 11.29925 49.97261 7.085169 -6.378269      13.33689 
1 1 1 9   5  19 o 155.5955 4.126557 2073.363       109.6445 1869.686       188.1514 2178.096       134.9214 147.0567 7.517519 159.3706 4.957591 -12.31390      9.005043 
1 1 1 9   5  20 o 59.55386 5.974728 308.1943       59.94246 343.5205       82.58923 268.8711       87.13631 62.52298 7.912487 54.79142 9.666216 7.731564       12.49172 
1 1 1 9   5  21 o 145.9786 3.874061 1827.342       96.57338 1753.789       141.1132 1892.139       132.4489 142.6322 5.793598 148.2823 5.230669 -5.650146      7.805490 
1 1 1 9   5  22 o 139.0905 4.097805 1661.359       97.33089 1802.443       146.0410 1548.616       130.5512 144.4263 5.921428 133.9276 5.708326 10.49873       8.224857 
1 1 1 9   5  23 o 116.0248 4.252077 1158.054       84.24689 1096.289       131.4794 1201.078       109.7336 112.0052 6.907839 117.8775 5.451385 -5.872299      8.799764 
1 1 1 9   5  24 o 58.32124 6.619134 300.1809       64.75433 242.7305       113.4210 327.9622       78.87198 50.32463 13.07834 60.62782 7.798969 -10.30319      15.22717 
1 1 1 9   5  25 o 19.05672 8.552553 -22.27505      57.81241 -142.6279      110.7467 22.80762       67.78089 21.56026 10.35409 24.46653 10.06997 -2.906277      14.44339 
1 1 1 9   5  26 o 64.91169 7.179530 376.9754       78.25066 258.6496       203.9017 397.4118       84.73912 50.11877 18.30328 66.48949 7.599793 -16.37072      19.81835 
1 1 1 9   5  27 o 82.86404 5.507734 603.2824       77.49270 577.8254       134.2922 615.9907       94.88374 78.45429 10.27041 83.16151 6.739360 -4.707214      12.28415 
1 1 1 9   6  0  o 81.65026 5.234537 572.0355       72.60123 502.5226       101.4579 644.9830       103.9342 76.23782 7.908199 86.55936 7.093725 -10.32154      10.62358 
1 1 1 9   6  1  o 282.8994 6.921996 6843.396       334.3992 6758.942       471.9514 6928.540       473.8783 280.9389 9.837471 284.4487 9.755757 -3.509766      13.85462 
1 1 1 9   6  2  o 345.2148 6.335998 10188.20       373.5135 10212.30       539.5307 10166.02       517.6069 345.3874 9.147613 344.6381 8.794982 0.7493591      12.68978 
1 1 1 9   6  3  o 312.3207 6.627731 8340.467       353.4822 8203.256       510.7066 8466.648       489.7503 309.4937 9.663126 314.4749 9.119829 -4.981232      13.28711 
1 1 1 9   6  4  o 237.4311 5.680247 4818.647       230.3068 4544.405       332.8388 5070.569       319.0073 230.4215 8.458806 243.4482 7.673477 -13.02666      11.42076 
1 1 1 9   6  5  o 159.6454 4.382903 2177.657       119.4868 2156.742       171.8085 2197.249       166.2866 158.8163 6.335016 160.3102 6.074272 -1.493942      8.776628 
1 1 1 9   6  6  o 167.8114 4.808884 2406.699       137.8058 2079.689       195.0079 2732.898       194.7661 155.8983 7.325020 178.7589 6.380340 -22.86058      9.714148 
1 1 1 9   6  7  o 189.4466 4.175298 3066.929       135.0754 2903.835       225.7677 3157.857       168.5751 184.1921 7.177760 192.1937 5.136323 -8.001617      8.826214 
1 1 1 9   6  8  o 400.9019 5.684175 13747.67       389.1415 13816.73       655.5104 13710.08       483.5703 401.2477 9.566765 400.1560 7.076660 1.091766       11.89967 
1 1 1 9   6  9  o 168.2547 4.304219 2420.099       123.6697 2257.652       209.3877 2507.124       153.2566 162.3050 7.554702 171.2030 5.242107 -8.897919      9.195282 
1 1 1 9   6  10 o 408.6232 6.401216 14302.57       446.6706 14464.90       753.0063 14214.44       554.8237 409.7363 10.76198 406.9999 7.982865 2.736420       13.39949 
1 1 1 9   6  11 o 124.1522 3.552413 1317.615       75.31469 1108.180       124.3403 1438.983       94.65424 113.5262 6.440298 129.7103 4.273304 -16.18408      7.729073 
1 1 1 9   6  12 o 245.7637 4.526631 5168.191       189.9742 5051.136       319.7646 5232.046       236.1729 242.4689 7.722757 247.1375 5.596153 -4.668579      9.537185 
1 1 1 9   6  13 o 65.43918 4.073958 367.7614       45.29987 336.0499       77.95222 383.9311       55.66358 62.08720 7.504622 66.78177 4.915582 -4.694569      8.971192 
1 1 1 9   6  14 o 67.11699 4.276808 387.0996       48.76254 367.3267       83.97885 397.1572       59.89369 64.88873 7.730956 67.88383 5.206366 -2.995102      9.320618 
1 1 1 9   6  15 o 174.8804 4.079500 2617.522       121.8288 2429.455       205.2228 2719.866       151.3910 168.0663 7.150607 178.1630 4.976005 -10.09662      8.711591 
1 1 1 9   6  16 o 232.2574 14.30221 4767.138       564.4919 4812.126       783.4431 4718.564       814.0610 229.5814 20.18860 226.5099 21.29595 3.071487       29.34445 
1 1 1 9   6  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   6  18 o 123.4055 3.791796 1303.499       79.90636 1309.854       122.3349 1298.771       105.5280 123.5024 5.800600 123.0674 5.021377 0.4350586      7.672105 
1 1 1 9   6  19 f 164.7842 3.823520 2325.240       107.5922 2296.471       163.4974 2347.215       142.8924 163.4418 5.857954 165.3805 5.059678 -1.938736      7.740540 
1 1 1 9   6  20 o 176.7181 4.347350 2679.276       131.1921 2482.147       221.0457 2786.476       163.0062 169.2466 7.648217 180.0088 5.302840 -10.76215      9.306736 
1 1 1 9   6  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   6  22 o 157.5081 4.037478 2131.276       108.5963 2161.253       164.3925 2108.066       144.6513 157.9965 6.093018 156.2654 5.420728 1.731094       8.155314 
1 1 1 9   6  23 f 175.0018 4.088107 2634.682       122.1706 2631.686       185.7315 2636.967       162.2001 174.0315 6.249651 174.5732 5.440908 -0.5417633     8.286231 
1 1 1 9   6  24 o 75.47532 5.336004 496.2109       68.33057 440.8374       116.0715 525.5790       84.53027 69.36959 10.09445 77.33899 6.459599 -7.969398      11.98434 
1 1 1 9   6  25 o 96.56967 4.730848 808.0962       78.01564 820.3177       130.1537 801.2427       97.46584 95.69096 8.039464 95.55930 6.003301 0.1316528      10.03357 
1 1 1 9   6  26 o 194.7021 4.208863 3279.478       139.9385 3276.219       207.7514 3282.186       189.3342 193.0508 6.301887 193.7143 5.723548 -0.6635742     8.513095 
1 1 1 9   6  27 o 95.80341 6.961299 820.7616       113.1086 1072.046       235.3024 745.2498       128.9886 103.4377 13.65508 90.30341 8.463328 13.13431       16.06515 
1 1 1 9   7  0  o 365.4875 6.708832 11422.40       418.7177 11855.97       605.2853 11024.51       579.8463 372.0809 9.526225 358.8036 9.463551 13.27722       13.42787 
1 1 1 9   7  1  o 237.6673 4.805527 4826.670       195.0349 4977.395       282.0307 4688.526       270.0043 241.2534 6.845748 234.1531 6.752566 7.100357       9.615686 
1 1 1 9   7  2  o 353.4546 7.522119 10687.98       454.0208 10362.32       641.7578 11014.30       642.4075 347.6635 10.80961 358.4758 10.49419 -10.81229      15.06571 
1 1 1 9   7  3  o 447.5768 7.503344 17139.68       573.4879 17626.72       828.5225 16691.71       794.6089 453.4085 10.70071 441.2457 10.54559 12.16284       15.02381 
1 1 1 9   7  4  o 369.2879 8.967162 11680.92       565.4863 11832.27       613.4703 10825.37       1458.539 371.5773 9.668129 351.1536 24.47617 20.42374       26.31645 
1 1 1 9   7  5  o 163.0532 5.927872 2273.544       165.0555 2247.495       566.9959 2275.956       172.5275 159.3105 21.38136 163.1281 6.193380 -3.817627      22.26029 
1 1 1 9   7  6  o 354.0634 6.565572 10727.20       396.9680 10969.27       574.0239 10505.32       549.5692 357.6250 9.399401 350.0142 9.194643 7.610840       13.14877 
1 1 1 9   7  7  o 190.9204 4.456393 3115.893       145.2907 2929.670       248.2896 3212.864       179.1692 184.8999 7.863574 193.8148 5.413453 -8.914917      9.546793 
1 1 1 9   7  8  o 121.4613 3.819931 1260.897       79.23106 1398.856       139.2562 1194.861       96.34526 127.8200 6.379897 118.2050 4.773013 9.615028       7.967731 
1 1 1 9   7  9  o 197.8964 5.081615 3350.807       171.7282 3418.928       249.0842 3289.093       237.0809 199.6772 7.304924 195.8736 7.087919 3.803589       10.17843 
1 1 1 9   7  10 o 201.2116 4.035051 3462.107       138.6449 3446.296       233.5628 3470.710       172.2824 200.4678 6.822715 201.3783 5.009868 -0.9105682     8.464527 
1 1 1 9   7  11 o 45.43354 4.991795 178.8255       38.09048 205.9389       65.61872 165.0464       46.77851 48.27574 8.256419 43.39479 6.513689 4.880947       10.51649 
1 1 1 9   7  12 o 320.9027 5.283335 8821.412       289.5232 9033.311       488.0315 8706.335       359.6470 323.7892 8.826398 318.5085 6.612315 5.280731       11.02851 
1 1 1 9   7  13 f 99.25157 3.825171 842.6971       64.83212 834.2626       110.5979 847.1128       80.02297 98.34854 6.623897 99.46249 4.711438 -1.113945      8.128571 
1 1 1 9   7  14 o 218.7392 4.193532 4095.521       156.6421 4325.731       264.9560 3971.825       194.2186 224.3222 6.916710 215.2530 5.283717 9.069229       8.703938 
1 1 1 9   7  15 o 128.1066 11.94612 1443.369       258.3221 1423.582       346.3359 1468.180       387.8188 125.5747 16.55430 126.7562 18.45868 -1.181496      24.79451 
1 1 1 9   7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   7  17 o 19.58384 7.886029 14.99705       40.50582 -62.28562      89.34505 34.99122       45.44448 22.40984 10.28029 23.06112 8.601713 -0.6512852     13.40425 
1 1 1 9   7  18 o 150.6922 4.222452 1945.313       108.6569 1876.326       193.8161 1976.933       131.2164 147.2280 7.736108 151.8025 5.061828 -4.574463      9.244969 
1 1 1 9   7  19 o 81.63725 5.119640 574.7237       71.01112 759.9760       149.2297 520.4976       80.73796 92.90886 9.541300 77.49947 6.151233 15.40939       11.35227 
1 1 1 9   7  20 o 95.86976 4.689747 789.8966       76.77732 679.0919       140.9067 836.6853       91.56360 87.51466 9.585419 98.40505 5.470428 -10.89039      11.03657 
1 1 1 9   7  21 o 71.62724 5.316323 444.7660       64.56278 456.8048       110.0689 438.4512       79.71693 71.54570 9.223860 70.80863 6.671332 0.7370682      11.38360 
1 1 1 9   7  22 o 202.4287 5.745046 3547.551       198.5947 3279.864       276.1730 3834.194       285.7841 193.1549 8.372856 209.1001 8.003535 -15.94522      11.58280 
1 1 1 9   7  23 o 94.19781 4.486707 765.1574       72.17228 783.6328       119.1459 754.4491       90.70773 94.24237 7.464468 93.07919 5.734683 1.163185       9.413015 
1 1 1 9   7  24 o 28.68140 9.959135 68.94999       59.64111 176.4135       108.2469 22.10703       71.46729 42.88127 13.35222 24.90663 10.30435 17.97464       16.86599 
1 1 1 9   7  25 o 145.0171 4.328711 1819.724       107.1963 1550.984       168.3364 2003.036       139.0298 131.9542 7.501532 151.6054 5.370212 -19.65117      9.225625 
1 1 1 9   7  26 o 71.19698 6.287438 449.8461       75.65745 444.1673       140.6716 452.1573       89.74221 67.07258 12.74774 70.80740 7.537817 -3.734818      14.80957 
1 1 1 9   8  0  o 518.8585 7.504776 23035.15       664.9494 23627.60       1148.924 22736.75       815.3895 524.4216 12.82947 515.2003 9.268022 9.221252       15.82693 
1 1 1 9   8  1  o 363.0449 5.738037 11268.15       355.7342 11937.30       611.3658 10925.63       437.4050 373.2377 9.592099 357.3555 7.167725 15.88220       11.97433 
1 1 1 9   8  2  o 133.1088 4.528463 1514.103       102.9341 1360.512       149.5826 1652.254       141.8655 125.9103 6.984324 139.0050 5.976466 -13.09467      9.192329 
1 1 1 9   8  3  o 171.9972 5.508842 2529.375       161.8019 2739.728       185.3229 1854.881       331.8506 178.9804 6.063477 146.1900 13.44363 32.79033       14.74778 
1 1 1 9   8  4  o 263.7709 6.960747 5955.170       313.5340 4309.493       1119.038 6095.364       326.6159 217.5606 30.99703 266.8378 7.167837 -49.27721      31.81500 
1 1 1 9   8  5  o 456.8147 8.244918 17886.93       643.1737 18029.18       929.1718 17756.07       891.1868 457.6730 11.88882 454.3141 11.48711 3.358887       16.53172 
1 1 1 9   8  6  o 102.9191 4.496356 905.5883       79.02396 907.7505       119.9053 903.9280       105.0716 102.7242 6.875082 102.5959 6.023687 0.1283340      9.140655 
1 1 1 9   8  7  o 74.60662 5.054582 478.3339       64.01687 487.3632       94.32819 470.6243       87.16280 75.02992 7.461112 73.77964 7.002079 1.250282       10.23217 
1 1 1 9   8  8  o 136.4422 4.018129 1591.736       93.62128 1390.765       158.6612 1699.089       115.9609 127.1236 7.339968 140.9255 4.818591 -13.80194      8.780315 
1 1 1 9   8  9  o 264.2414 4.760031 5974.986       214.7892 6172.768       371.7690 5875.890       263.1530 268.0121 8.123006 261.8878 5.884249 6.124329       10.03033 
1 1 1 9   8  10 o 447.0320 6.775846 17147.44       517.2542 16230.80       896.0370 17605.56       633.4598 432.5708 12.13017 452.4460 8.198801 -19.87527      14.64108 
1 1 1 9   8  11 o 111.5868 3.659428 1064.865       69.73132 1107.068       123.3515 1045.043       84.53495 113.4121 6.395270 110.4992 4.479972 2.912918       7.808305 
1 1 1 9   8  12 o 41.87867 5.762014 153.1902       40.11544 70.35954       74.45141 187.0751       47.61901 30.89958 11.09168 46.28899 6.178455 -15.38941      12.69640 
1 1 1 9   8  13 o 162.5266 3.886678 2260.256       107.8711 2070.840       181.6760 2363.395       134.0604 155.2151 6.854274 166.1078 4.726160 -10.89267      8.325722 
1 1 1 9   8  14 o 130.9588 3.722535 1467.461       83.24831 1459.829       142.2700 1471.435       102.6578 130.3479 6.391564 131.0638 4.586776 -0.7158356     7.867059 
1 1 1 9   8  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   8  16 o 107.3539 4.068881 986.7416       74.59242 974.8391       131.9186 992.3358       90.43835 106.1326 7.323538 107.5892 4.922457 -1.456642      8.824103 
1 1 1 9   8  17 o 59.99321 5.370346 311.3465       54.43613 195.4996       93.92307 369.9456       66.79985 46.38931 11.82198 65.33279 6.056319 -18.94349      13.28301 
1 1 1 9   8  18 o 102.3170 4.493538 897.8370       78.51237 800.9037       148.8104 935.2277       92.42264 95.53638 9.236677 104.3489 5.186668 -8.812538      10.59329 
1 1 1 9   8  19 o 85.65778 4.654062 632.1321       67.82156 720.2704       132.4517 600.8106       78.95801 90.50175 8.676710 83.33725 5.580481 7.164497       10.31635 
1 1 1 9   8  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   8  21 o 32.17954 9.150631 93.81506       52.66981 189.3561       130.0003 75.05235       57.60989 45.34935 14.69599 29.63698 9.792418 15.71237       17.65966 
1 1 1 9   8  22 o 73.04774 5.206862 463.6675       64.52565 444.3622       119.1902 471.6712       76.74441 69.77715 10.31369 73.42070 6.178489 -3.643555      12.02273 
1 1 1 9   8  23 o 46.41858 7.201400 193.3934       55.23404 197.2072       98.75631 191.6573       66.62990 45.33895 12.39857 45.68032 8.861300 -0.3413696     15.23966 
1 1 1 9   8  24 o 51.11623 9.218003 242.0140       77.50306 291.4828       103.5292 178.9467       116.8958 55.22269 11.35766 42.91928 13.93777 12.30341       17.97938 
1 1 1 9   8  25 o 18.93785 8.414526 -14.43724      54.50369 53.98322       110.6396 -36.36208      62.63048 31.46469 12.89801 18.84686 8.631595 12.61783       15.51976 
1 1 1 9   8  26 o 21.02418 9.014147 4.468017       57.90646 144.2925       124.5789 -34.06766      65.40099 39.06724 14.30074 19.37492 8.853611 19.69231       16.81956 
1 1 1 9   9  0  o 116.8029 4.057196 1165.803       80.92476 1113.871       133.3561 1196.074       101.8139 113.8791 6.889955 118.2840 5.040564 -4.404884      8.536906 
1 1 1 9   9  1  o 66.02462 4.403854 374.2350       49.36759 418.2165       76.56356 342.9370       64.58701 69.60705 6.517061 63.02489 6.076387 6.582153       8.910362 
1 1 1 9   9  2  o 201.5749 5.303033 3474.766       182.5420 3235.635       244.2885 3777.104       274.6829 194.3742 7.359740 209.9828 7.660303 -15.60861      10.62290 
1 1 1 9   9  3  o 150.4482 5.188003 1935.774       133.2874 1566.640       532.0212 1960.495       137.6782 131.1214 24.66567 151.3992 5.325244 -20.27777      25.23398 
1 1 1 9   9  4  o 370.8124 6.598410 11774.42       417.8260 11819.62       616.6625 11736.06       568.1097 370.8919 9.736398 369.7483 8.997548 1.143616       13.25720 
1 1 1 9   9  5  o 100.5919 3.960355 864.9808       68.02976 837.9341       103.5283 885.5345       90.24999 98.73302 6.171334 101.6031 5.219238 -2.870041      8.082438 
1 1 1 9   9  6  o 126.5617 4.441312 1369.928       95.98767 1297.096       139.9118 1434.690       131.9334 122.8413 6.694989 129.4321 5.969125 -6.590813      8.969578 
1 1 1 9   9  7  o 311.4569 6.356208 8314.329       338.0633 8487.505       489.0082 8155.795       467.8788 314.0509 9.118306 307.9103 8.898303 6.140625       12.74062 
1 1 1 9   9  8  o 116.7331 3.850357 1165.285       76.75327 1290.693       129.1814 1096.858       95.42233 122.5489 6.192967 113.1975 4.936409 9.351387       7.919658 
1 1 1 9   9  9  o 110.4242 3.871968 1042.890       73.01258 1147.720       126.6721 990.7361       89.34759 115.4896 6.448730 107.5748 4.863738 7.914772       8.077256 
1 1 1 9   9  10 o 356.2151 5.928019 10882.13       360.5984 10532.00       624.7072 11057.08       441.5942 348.8050 10.48798 358.6888 7.209476 -9.883759      12.72691 
1 1 1 9   9  11 o 49.48940 5.180981 212.1544       43.13610 314.9774       76.74441 164.6671       52.15428 60.02290 7.662157 43.17064 7.337138 16.85226       10.60859 
1 1 1 9   9  12 o 263.7646 4.721158 5959.700       212.6507 6150.844       369.8216 5865.283       259.9174 267.1128 8.107660 261.4449 5.821748 5.667969       9.981328 
1 1 1 9   9  13 o 110.8972 14.94265 1103.924       275.7726 905.5911       469.3329 1208.508       340.8122 95.94359 27.32704 114.9508 17.94867 -19.00723      32.69437 
1 1 1 9   9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   9  15 o 63.93691 4.553667 352.0100       49.39325 377.4503       95.49781 342.7189       57.71229 65.51041 8.755606 62.97055 5.419773 2.539860       10.29731 
1 1 1 9   9  16 o 110.1135 4.182328 1038.554       78.64310 902.4420       136.9634 1105.501       96.05598 101.9297 7.931122 113.5348 4.954428 -11.60510      9.351420 
1 1 1 9   9  17 o 120.5141 4.207934 1244.855       86.59814 1361.889       162.3307 1198.300       102.3836 125.2810 7.624023 118.1360 5.075117 7.145035       9.158742 
1 1 1 9   9  18 o 126.9357 4.476840 1383.317       97.04146 1253.970       189.2329 1429.470       113.0362 119.4224 9.353929 128.9247 5.134277 -9.502266      10.67037 
1 1 1 9   9  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   9  20 o 31.60390 8.830606 90.44296       49.49928 168.8232       107.6378 69.42153       55.74327 42.85898 13.30956 28.73734 9.636638 14.12164       16.43196 
1 1 1 9   9  21 o 82.12710 4.824569 583.9965       67.36518 562.8353       140.7450 590.2849       76.72440 78.50981 10.78274 82.40440 5.483627 -3.894592      12.09701 
1 1 1 9   9  22 o 59.22643 6.061000 308.3957       60.43659 235.6567       104.5080 344.9444       74.08018 49.61157 12.37654 62.35762 7.082452 -12.74605      14.25973 
1 1 1 9   9  23 o 56.63423 5.980648 283.1627       56.96527 212.5741       104.5643 312.9550       67.93106 46.63656 12.75983 59.28381 6.835344 -12.64725      14.47533 
1 1 1 9   9  24 o 85.72302 5.118252 641.7908       74.58202 655.4029       141.2720 636.5309       87.81725 84.05917 10.04036 84.97700 6.092114 -0.9178238     11.74405 
1 1 1 9   9  25 o 136.6677 4.407020 1621.272       102.8520 1504.522       177.8587 1679.929       126.0691 128.9474 8.118649 138.5974 5.326618 -9.649963      9.710062 
1 1 1 9   10 0  o 195.6522 4.250061 3272.369       141.9979 3399.740       235.9677 3200.060       177.7928 199.2252 6.935959 193.4085 5.383152 5.816650       8.779855 
1 1 1 9   10 1  o 232.9390 5.513453 4642.791       219.3147 5212.704       969.5568 4612.058       225.1505 241.2995 23.84144 232.1516 5.679357 9.147812       24.50855 
1 1 1 9   10 2  o 97.80363 3.637239 817.5505       60.74755 881.6940       98.10639 777.6648       77.36248 101.3359 5.692389 95.35451 4.751024 5.981377       7.414548 
1 1 1 9   10 3  o 173.6522 3.916128 2577.969       116.1285 2644.934       193.9442 2540.542       144.9942 175.7030 6.463914 172.3239 4.927232 3.379074       8.127718 
1 1 1 9   10 4  o 325.3316 6.439234 9070.501       357.7357 8984.603       517.9982 9148.828       494.6393 323.1165 9.387871 326.1905 8.880051 -3.073914      12.92236 
1 1 1 9   10 5  o 116.6463 4.064775 1163.632       80.96722 1208.194       129.9645 1135.365       103.5087 118.5408 6.444513 115.1579 5.263583 3.382904       8.320881 
1 1 1 9   10 6  o 350.6446 6.963917 10551.90       416.9872 10024.38       615.3281 10999.89       567.0444 340.6315 10.57840 357.2984 9.293601 -16.66696      14.08097 
1 1 1 9   10 7  o 149.0981 4.293576 1902.069       109.3184 1701.855       163.1373 2065.243       147.2758 140.8125 6.784380 155.2525 5.555087 -14.44002      8.768512 
1 1 1 9   10 8  o 163.9029 4.352517 2299.109       121.8230 2185.552       184.3591 2387.125       162.3073 159.5405 6.766934 166.8722 5.695768 -7.331741      8.844952 
1 1 1 9   10 9  o 221.5642 4.520436 4202.933       171.0337 3925.812       293.6179 4345.255       210.4183 213.5056 8.053251 225.1419 5.472997 -11.63622      9.736968 
1 1 1 9   10 10 o 110.0832 3.855334 1036.901       72.47443 1105.992       125.2113 1002.091       88.87581 113.2871 6.499528 108.1555 4.812082 5.131569       8.087027 
1 1 1 9   10 11 o 171.7390 3.955039 2524.307       115.9903 2710.824       205.5076 2437.115       140.5099 177.5629 6.777565 168.6424 4.879082 8.920471       8.351097 
1 1 1 9   10 12 o 146.5766 24.31956 2046.014       587.3893 0.000000       0.000000 2046.014       587.3893 ?        ?        146.5766 24.31956 0.000000       24.31956 
1 1 1 9   10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10 14 o 136.0325 4.107410 1584.605       95.41415 1510.983       173.9707 1616.277       114.1067 132.1258 7.744401 137.3047 4.866578 -5.178940      9.146546 
1 1 1 9   10 15 o 53.90553 5.551769 252.1242       50.37433 247.3771       90.77081 254.2369       60.55511 52.40281 10.50926 53.93545 6.720465 -1.532642      12.47434 
1 1 1 9   10 16 o 120.2689 4.230512 1239.944       86.88570 1338.743       163.9856 1201.384       102.4475 124.1524 7.773984 118.2816 5.072036 5.870728       9.282262 
1 1 1 9   10 17 o 114.7333 4.232172 1129.537       82.91910 1330.295       157.8775 1053.063       97.44048 123.6408 7.513109 110.6490 5.156918 12.99187       9.112661 
1 1 1 9   10 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10 19 o 107.1119 4.592430 987.5585       84.00053 928.8810       166.0291 1007.746       97.38406 102.0866 9.637912 108.0616 5.277337 -5.974907      10.98816 
1 1 1 9   10 20 o 158.1288 4.240750 2152.408       114.5132 2087.104       201.8833 2183.386       139.0461 154.3036 7.661653 158.9676 5.122100 -4.664032      9.216118 
1 1 1 9   10 21 o 70.34976 5.002792 430.2019       59.70861 408.6695       112.4061 438.6656       70.47302 66.75018 10.18383 70.80466 5.881775 -4.054482      11.76035 
1 1 1 9   10 22 o 83.50887 4.848807 606.3112       68.84869 410.6739       123.6154 694.2899       82.89631 65.95747 11.38662 89.16862 5.470470 -23.21115      12.63255 
1 1 1 9   10 23 o 41.91402 7.922000 161.4259       54.62407 -43.47160      101.3361 245.3453       64.85254 24.35138 11.08607 52.06578 7.511391 -27.71441      13.39111 
1 1 1 9   10 24 o 67.26930 5.798882 399.8464       65.96276 297.0514       131.2023 434.6183       76.30796 53.69744 14.12036 69.87265 6.468688 -16.17521      15.53153 
1 1 1 9   11 0  o 210.7421 5.177945 3801.387       186.3420 4018.028       844.9318 3790.311       191.0460 210.3255 23.95212 210.4208 5.316762 -0.9532166E-01 24.53512 
1 1 1 9   11 1  o 278.6423 4.890108 6644.562       232.6845 6585.062       397.3161 6675.621       287.0626 276.7702 8.406492 279.1270 6.022445 -2.356750      10.34113 
1 1 1 9   11 2  o 317.9006 6.287185 8663.563       341.3104 8661.230       494.1635 8665.689       471.9724 317.1565 9.124207 317.3566 8.708975 -0.2001038     12.61338 
1 1 1 9   11 3  o 94.99516 4.548642 772.2135       73.78790 788.2784       113.9991 760.6301       96.80108 95.57656 7.034139 94.00624 6.062378 1.570320       9.286095 
1 1 1 9   11 4  o 243.8365 4.536555 5088.315       188.8977 5203.852       323.5424 5028.564       232.6707 246.0550 7.700112 242.2503 5.624392 3.804749       9.535487 
1 1 1 9   11 5  o 184.0577 4.215505 2898.636       132.4968 2922.112       224.6653 2886.117       164.0657 184.4408 7.133082 183.5554 5.234180 0.8853912      8.847458 
1 1 1 9   11 6  o 139.6153 3.830854 1667.439       91.33357 1783.202       155.2023 1606.110       112.9651 144.1505 6.304928 136.9482 4.830432 7.202286       7.942618 
1 1 1 9   11 7  o 251.3259 4.723011 5409.517       202.7021 5112.410       347.8891 5562.229       249.4138 243.5431 8.364946 254.6665 5.735175 -11.12347      10.14222 
1 1 1 9   11 8  o 73.56914 4.879709 465.7397       60.95644 498.1286       104.0423 448.8112       75.21802 75.58472 8.191825 72.04267 6.173708 3.542053       10.25771 
1 1 1 9   11 9  o 166.9317 4.528456 2386.736       129.0895 2338.142       192.3200 2426.582       174.1497 164.8966 6.829844 168.1115 6.066292 -3.214905      9.134915 
1 1 1 9   11 10 o 100.3477 4.153917 862.1591       71.18153 788.7806       130.5547 893.1996       84.91272 95.28178 8.100651 102.0854 4.870879 -6.803581      9.452302 
1 1 1 9   11 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   11 13 o 138.4492 4.049955 1641.477       95.75079 1544.721       169.3620 1686.933       116.0836 133.6362 7.451122 140.2637 4.846449 -6.627548      8.888605 
1 1 1 9   11 14 o 31.54803 9.265169 87.92380       53.19876 217.0609       134.7110 64.06316       57.90533 49.06704 14.82510 28.43762 9.816616 20.62943       17.78060 
1 1 1 9   11 15 o 17.98584 7.807866 -6.453064      44.51149 3.902036       106.7558 -8.632050      48.97126 28.81264 12.29327 18.70973 8.155371 10.10290       14.75245 
1 1 1 9   11 16 o 207.9771 4.718526 3717.083       167.5806 3683.193       302.5186 3732.087       201.2862 205.4891 8.621076 208.1018 5.664169 -2.612747      10.31532 
1 1 1 9   11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   11 18 o 41.03999 7.686102 151.6204       51.88651 167.2329       123.7190 148.2882       57.15593 43.12616 14.35511 40.37754 8.555264 2.748611       16.71112 
1 1 1 9   11 19 o 75.54635 4.950319 494.8235       63.50977 427.4687       116.8778 523.0438       75.65344 68.45380 10.31894 77.47543 5.759424 -9.021622      11.81742 
1 1 1 9   11 20 o 19.40402 8.204533 4.840977       46.82164 11.68749       111.0316 3.360142       51.63751 29.16859 12.49338 20.14613 8.571545 9.022461       15.15111 
1 1 1 9   11 21 f 48.11263 6.641260 206.6546       53.11002 290.6740       101.7534 175.1945       62.26431 55.38643 11.14425 43.58606 8.670565 11.80036       14.11995 
1 1 1 9   11 22 o 35.86080 8.683892 120.2141       52.61244 223.2162       98.88853 79.54623       62.13673 47.73104 12.11229 30.04518 10.17379 17.68585       15.81814 
1 1 1 9   11 23 o 62.96450 5.802997 350.5250       61.69288 283.8669       111.5091 379.9284       74.05996 53.47235 12.44518 65.18996 6.750569 -11.71762      14.15813 
1 1 1 9   11 24 o 51.46114 6.904089 239.7446       59.14193 218.2124       107.4570 249.1013       70.83579 46.16697 13.05028 51.85966 8.277025 -5.692688      15.45377 
1 1 1 9   12 0  o 202.2244 4.339205 3499.475       149.8462 3771.435       253.2166 3352.912       185.8888 209.5502 7.076236 197.8110 5.503017 11.73915       8.964169 
1 1 1 9   12 1  o 73.38048 5.334615 463.7600       66.39021 460.8400       97.69267 466.2657       90.49929 72.75768 7.994693 73.30134 7.328079 -0.5436630     10.84508 
1 1 1 9   12 2  o 137.6996 4.047215 1622.276       95.16801 1519.965       154.5926 1684.708       120.7632 132.8630 6.836869 140.2453 5.042482 -7.382263      8.495257 
1 1 1 9   12 3  o 210.9872 4.320618 3810.193       155.6696 3653.121       263.9620 3893.954       192.7579 206.0859 7.500516 213.1629 5.295399 -7.076950      9.181449 
1 1 1 9   12 4  o 416.3995 6.511709 14890.70       463.0278 14430.26       799.4846 15123.09       567.9822 407.4243 11.49109 419.0471 7.937249 -11.62277      13.96586 
1 1 1 9   12 5  o 228.1712 4.754219 4459.577       185.2431 4412.547       325.7375 4482.058       225.2050 226.1850 8.433389 228.5718 5.769703 -2.386810      10.21820 
1 1 1 9   12 6  o 302.4578 4.974514 7839.840       256.9315 7716.343       449.1214 7899.920       313.2545 298.8943 8.799220 303.3472 6.047214 -4.452881      10.67685 
1 1 1 9   12 7  o 85.30573 4.254675 623.1006       61.97928 440.0186       100.5920 735.1382       78.69057 70.90248 8.476095 92.47469 5.001676 -21.57220      9.841796 
1 1 1 9   12 8  o 87.57929 4.113732 656.7112       61.52326 693.7672       111.4704 640.4784       73.77828 89.45033 7.362920 86.28644 5.028873 3.163887       8.916398 
1 1 1 9   12 9  o 32.01194 15.76237 -608.8745      304.6221 -779.4109      411.3596 -401.8026      453.2874 37.49531 18.43410 46.79966 22.02876 -9.304356      28.72425 
1 1 1 9   12 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   12 11 o 78.10323 4.594378 524.5950       61.00713 651.6313       117.9452 478.1917       71.28380 86.49560 8.078708 74.41439 5.651831 12.08121       9.859447 
1 1 1 9   12 12 o 196.7598 4.379630 3317.489       147.1552 3100.029       252.6115 3429.188       181.0461 189.4610 7.807848 199.8771 5.304255 -10.41609      9.439153 
1 1 1 9   12 13 o 159.3739 4.297759 2177.383       116.9664 2126.567       209.7834 2200.306       140.9000 156.7812 7.835650 160.0713 5.154607 -3.290070      9.379093 
1 1 1 9   12 14 o 88.05534 4.690849 667.6502       70.28143 981.2877       156.4542 588.3600       78.66526 105.8294 8.735299 82.48936 5.617940 23.34003       10.38589 
1 1 1 9   12 15 f 227.1967 4.777878 4438.798       185.3698 4248.217       325.6368 4530.162       225.4662 220.4940 8.648381 229.1544 5.761710 -8.660385      10.39191 
1 1 1 9   12 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   12 17 o 86.24547 4.740396 642.8741       69.54773 652.5546       140.5497 639.7354       80.03267 85.24136 9.836099 85.85888 5.487269 -0.6175156     11.26317 
1 1 1 9   12 18 o 49.81738 6.090273 218.6656       50.73183 155.7397       102.4648 239.1005       58.39114 41.05515 13.02032 51.95360 6.740410 -10.89846      14.66158 
1 1 1 9   12 19 o 73.31991 5.059188 467.5196       62.95630 357.2824       115.5651 514.0416       75.07436 61.75035 11.37860 76.69173 5.774844 -14.94138      12.76015 
1 1 1 9   12 20 o 45.78192 6.973840 188.3842       52.79905 258.6248       100.9771 161.9539       61.94124 51.90110 11.67581 41.75928 8.954812 10.14182       14.71439 
1 1 1 9   12 21 o 12.53945 6.115421 -75.19009      42.60373 -181.4507      88.54723 -43.18110      48.59872 17.01239 8.399785 15.67778 7.326064 1.334606       11.14574 
1 1 1 9   12 22 o 62.24118 5.947386 343.2377       62.44349 201.1972       129.9870 385.8494       71.19646 44.49444 14.70965 65.83379 6.414454 -21.33935      16.04740 
1 1 1 9   12 23 o 69.19286 5.311396 421.8890       62.27950 540.5336       117.7606 375.8184       73.38174 76.13991 9.246791 64.66940 6.744101 11.47051       11.44491 
1 1 1 9   13 0  o 153.3033 4.075850 2011.507       106.7018 1932.807       178.2263 2055.475       133.2135 149.9289 6.961208 154.8715 5.037035 -4.942566      8.592446 
1 1 1 9   13 1  o 86.73996 4.523573 646.0894       66.77219 559.9323       107.6542 699.9584       85.12447 80.22189 7.963676 90.16763 5.555480 -9.945740      9.709969 
1 1 1 9   13 2  o 198.2049 4.301170 3363.771       145.5804 3149.488       246.0539 3479.185       180.5789 191.2313 7.534757 201.4376 5.249580 -10.20633      9.183172 
1 1 1 9   13 3  o 230.7342 4.697986 4561.252       185.1082 4521.213       316.7689 4582.016       228.1084 228.9474 8.102236 231.0556 5.781266 -2.108200      9.953354 
1 1 1 9   13 4  f 213.3656 4.650032 3900.558       169.4268 3626.988       289.4054 4043.208       208.9825 204.9818 8.267791 217.0556 5.638157 -12.07376      10.00726 
1 1 1 9   13 5  o 134.4450 4.075915 1547.586       93.57755 1374.224       154.7163 1647.589       117.5078 126.1219 7.213569 138.6290 4.963759 -12.50704      8.756396 
1 1 1 9   13 6  o 81.06890 15.47322 601.2620       206.3940 476.3752       389.4402 650.0400       243.3856 72.87012 25.44064 83.67590 17.59135 -10.80579      30.93027 
1 1 1 9   13 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   13 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   13 9  o 125.9075 4.410674 1358.338       94.83276 1468.772       161.2290 1299.922       117.2621 130.3345 7.273060 123.0402 5.580957 7.294334       9.167578 
1 1 1 9   13 10 o 271.9855 5.178407 6348.579       240.5159 6509.687       416.9348 6268.227       294.4475 274.0534 8.909042 269.9010 6.388537 4.152405       10.96287 
1 1 1 9   13 11 o 129.7922 3.862548 1442.915       85.60999 1549.812       159.2173 1399.441       101.5370 133.8581 6.989611 127.7309 4.655072 6.127220       8.397878 
1 1 1 9   13 12 o 105.0371 4.142621 945.9916       74.30532 917.1195       152.1156 955.0399       85.15632 102.3160 8.791582 105.4712 4.728040 -3.155159      9.982298 
1 1 1 9   13 13 o 131.3663 4.146276 1480.924       93.01312 1250.845       179.5821 1565.274       108.7344 119.3538 8.874459 134.9555 4.718180 -15.60168      10.05073 
1 1 1 9   13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   13 15 o 63.17290 6.030258 348.5055       64.26315 407.5870       129.5807 329.2350       74.00504 66.47415 11.84976 61.08525 7.235115 5.388905       13.88393 
1 1 1 9   13 16 o 119.4109 4.285672 1227.380       87.39063 1087.459       156.3373 1290.970       105.3946 110.8857 8.316879 122.2743 5.047554 -11.38864      9.728735 
1 1 1 9   13 17 o 53.69022 6.399818 254.4884       57.52034 125.4049       104.6292 310.3991       68.85970 37.93567 13.18988 59.20861 6.942255 -21.27294      14.90530 
1 1 1 9   13 18 o 116.3428 4.328964 1168.228       86.00535 1093.552       165.2639 1195.964       100.7188 110.3999 8.840270 117.4992 5.019656 -7.099266      10.16599 
1 1 1 9   13 19 o 115.3853 4.341826 1151.422       85.55096 1098.734       153.6277 1175.106       102.9992 110.6695 8.187153 116.2498 5.188473 -5.580338      9.692766 
1 1 1 9   13 20 o 50.70232 6.372749 229.5130       53.95778 169.9710       104.9461 250.9087       62.90972 41.62346 13.17452 52.75472 7.168875 -11.13126      14.99870 
1 1 1 9   13 21 o 34.06341 8.699268 109.3022       50.78185 8.596249       99.61487 144.6629       59.02782 26.99534 11.69968 39.12627 9.019393 -12.13093      14.77267 
1 1 1 9   13 22 o 20.51841 8.551580 13.53059       49.74313 31.82517       117.7297 9.554821       54.88269 30.08739 12.87522 20.95194 8.872202 9.135456       15.63609 
1 1 1 9   14 0  o 81.83218 4.649337 575.7164       64.70251 583.4461       88.80756 566.9714       94.46014 82.13513 6.381788 80.87102 6.906178 1.264114       9.403324 
1 1 1 9   14 1  o 103.6890 4.338395 920.9832       76.81816 796.8649       125.9652 994.4742       96.92809 95.80222 7.766532 107.6633 5.272058 -11.86105      9.386886 
1 1 1 9   14 2  o 171.1124 14.10108 2602.690       408.3674 2488.448       708.7202 2659.472       499.6505 159.4192 26.99708 171.3021 17.31842 -11.88292      32.07445 
1 1 1 9   14 3  o 280.1419 18.00496 7110.495       856.7731 6471.655       1481.850 7431.292       1050.082 247.2166 36.17152 282.5474 21.93551 -35.33084      42.30302 
1 1 1 9   14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 6  o 209.2899 4.476682 3753.651       159.9951 3800.151       274.5013 3729.726       196.8989 209.8466 7.660208 208.4218 5.532205 1.424713       9.449025 
1 1 1 9   14 7  o 141.8275 4.247637 1723.422       102.8750 1760.105       172.6827 1703.239       128.0857 142.8925 7.076807 140.8559 5.325047 2.036560       8.856484 
1 1 1 9   14 8  o 52.31691 6.537899 239.2504       57.13415 243.7486       87.88153 235.9573       75.19376 52.02871 10.25589 51.46973 8.875737 0.5589752      13.56326 
1 1 1 9   14 9  o 217.8990 4.634410 4073.238       172.4454 3993.191       295.1937 4114.706       212.4691 214.7262 8.050451 218.7439 5.687978 -4.017685      9.857122 
1 1 1 9   14 10 o 33.65419 10.23388 99.98391       64.04231 57.53439       110.6737 121.3535       78.52462 33.12791 13.13706 37.00761 11.34754 -3.879704      17.35941 
1 1 1 9   14 11 o 66.87921 5.369675 387.5594       60.80844 304.3406       116.9758 418.3751       71.18217 57.43772 12.29707 69.36794 6.070218 -11.93022      13.71370 
1 1 1 9   14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 14 o 98.52029 4.256536 835.1507       71.61170 711.2633       135.4073 883.2561       84.37729 89.33736 8.998287 101.1956 4.882723 -11.85822      10.23768 
1 1 1 9   14 15 o 104.9469 4.153257 948.2087       74.43214 1016.794       154.6801 927.5420       84.90900 106.9597 8.539815 103.6544 4.796936 3.305252       9.794847 
1 1 1 9   14 16 o 53.98466 6.092902 256.8145       55.18628 141.4205       121.9372 286.5388       61.88717 40.09932 14.21585 56.94844 6.479145 -16.84912      15.62274 
1 1 1 9   14 17 o 184.5252 3.913666 2935.278       123.3222 2706.512       243.3493 3014.331       143.0517 174.4146 8.170438 186.7136 4.486577 -12.29898      9.321236 
1 1 1 9   14 18 f 44.20065 6.567150 175.3929       48.06198 46.31377       101.1515 213.0323       54.62174 30.09134 12.33352 48.73587 6.743910 -18.64454      14.05688 
1 1 1 9   14 19 o 63.04845 5.091373 348.4897       54.34887 281.2340       111.1561 369.6195       62.30407 53.31459 12.43703 64.73660 5.693827 -11.42201      13.67843 
1 1 1 9   14 20 o 17.97293 7.648279 3.750167       41.12589 -50.69746      94.79067 16.37565       45.64572 22.87975 10.53017 20.19993 8.282921 2.679821       13.39744 
1 1 1 9   14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   15 2  o 186.0337 4.446041 2966.062       141.2430 2751.199       238.7928 3081.685       175.1712 178.4684 7.835343 189.4542 5.414478 -10.98578      9.524137 
1 1 1 9   15 3  o 143.3846 4.408256 1762.071       107.9372 1698.849       176.9507 1799.534       136.2133 140.1134 7.422007 144.7468 5.510724 -4.633316      9.244147 
1 1 1 9   15 4  o 180.0799 4.470787 2779.909       137.4837 2847.637       239.1031 2746.456       168.0411 181.5495 7.712374 178.8103 5.503273 2.739288       9.474531 
1 1 1 9   15 5  o 84.52316 5.099282 615.4490       73.25687 550.8841       118.1843 655.7344       93.35439 79.21034 8.890783 87.05386 6.322944 -7.843521      10.90989 
1 1 1 9   15 6  o 83.65056 4.757998 602.3932       67.68564 529.7886       108.8464 648.1705       86.42853 77.74820 8.327827 86.59959 5.879218 -8.851387      10.19401 
1 1 1 9   15 7  o 96.72844 4.293848 802.4940       70.92557 789.6783       118.6382 809.6219       88.47753 95.26805 7.349275 96.88879 5.368560 -1.620743      9.101278 
1 1 1 9   15 8  o 76.56820 5.306599 506.8328       68.95715 541.5083       113.7224 486.6701       86.71811 78.38717 8.639177 74.70673 6.874615 3.680443       11.04064 
1 1 1 9   15 9  o 43.99846 8.913077 175.1857       64.67290 101.0850       116.7657 207.9771       77.67548 37.06435 13.79529 47.80830 9.842310 -10.74395      16.94641 
1 1 1 9   15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   15 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   15 12 o 141.7588 3.904088 1727.070       94.50866 1872.206       181.9190 1673.420       110.6057 146.4205 7.275690 139.3503 4.648016 7.070206       8.633638 
1 1 1 9   15 13 o 111.6453 3.891656 1071.998       74.19540 1118.641       146.2849 1055.844       86.09056 112.6546 7.649441 110.6533 4.556059 2.001335       8.903461 
1 1 1 9   15 14 o 18.90510 8.033911 2.941167       45.26421 -60.97495      89.22872 25.08835       52.52411 22.01342 10.16196 22.56655 9.017727 -0.5531311     13.58620 
1 1 1 9   15 15 o 41.07727 6.704430 151.4765       45.40638 200.7447       98.53520 138.1938       51.16230 45.61957 12.34713 38.83898 7.980882 6.780594       14.70191 
1 1 1 9   15 16 o 35.07582 7.593832 113.1270       44.16700 225.7693       97.53857 84.07342       49.53656 48.20672 11.91644 30.23647 8.957327 17.97025       14.90756 
1 1 1 9   15 17 o 66.98724 4.567984 391.0884       51.94210 366.5832       112.9349 397.6629       58.49631 61.92826 11.08625 67.37585 5.122563 -5.447590      12.21251 
1 1 1 9   15 18 o 76.88686 4.355363 514.3422       56.94956 704.7487       137.2001 474.7074       62.59684 87.31980 9.346233 73.63288 5.008033 13.68692       10.60342 
1 1 1 9   15 19 o 59.32326 5.162619 310.2744       51.77802 409.6157       129.1998 291.2667       56.51490 64.12115 12.24597 57.20190 5.868758 6.919247       13.57962 
1 1 1 9   16 0  o 48.42297 6.992191 206.3737       56.14346 78.10445       91.76589 283.1102       70.97753 33.16897 12.25251 56.76008 7.506983 -23.59111      14.36937 
1 1 1 9   16 1  o 148.0281 8.071788 1903.847       203.2698 0.000000       0.000000 1903.847       203.2698 ?        ?        148.0281 8.071788 0.000000       8.071788 
1 1 1 9   16 2  f 145.1143 4.464056 1806.516       110.6220 1622.310       188.8310 1902.767       136.4967 136.5420 8.135415 148.7729 5.372749 -12.23093      9.749431 
1 1 1 9   16 3  o 25.06997 9.976939 29.83308       64.04177 50.33516       84.54913 2.238598       98.08926 29.69354 11.57042 27.53322 11.76647 2.160318       16.50225 
1 1 1 9   16 4  o 94.47693 5.025512 769.4474       80.78737 555.0977       139.9700 876.5253       98.92900 78.77613 10.68029 100.7057 5.776800 -21.92957      12.14248 
1 1 1 9   16 5  o 70.00097 5.436375 424.5099       64.47559 357.0573       107.8561 462.0182       80.42852 62.91735 10.40208 72.82049 6.537411 -9.903133      12.28580 
1 1 1 9   16 6  o 122.1798 4.382647 1282.588       91.44033 1312.704       154.7403 1266.429       113.3477 122.6820 7.421119 121.1957 5.476757 1.486237       9.223224 
1 1 1 9   16 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   16 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   16 9  o 43.34402 7.509240 168.5164       53.56755 292.2346       98.25334 116.1882       63.89967 56.40264 10.58998 35.63879 10.05983 20.76385       14.60644 
1 1 1 9   16 10 o 34.64696 9.081647 110.1893       54.38568 237.6384       111.7008 70.58869       62.26430 49.94975 12.97775 29.30811 10.17585 20.64165       16.49151 
1 1 1 9   16 11 o 73.35799 5.541994 469.0528       68.91264 620.9276       129.0538 408.4741       81.50569 83.07233 9.254607 67.96552 7.128736 15.10681       11.68189 
1 1 1 9   16 12 o 75.73620 4.800297 497.8209       61.76212 392.4595       115.1617 540.3613       73.17591 65.08315 10.73627 78.73005 5.476943 -13.64690      12.05257 
1 1 1 9   16 13 o 75.47918 4.658255 494.6841       59.74817 650.9307       116.1130 438.4135       69.68133 85.29870 8.067218 70.70272 5.823150 14.59598       9.949326 
1 1 1 9   16 14 f 79.56605 4.540289 549.9863       61.43406 428.4839       119.4578 593.6760       71.63271 67.56683 10.71055 82.48985 5.110371 -14.92302      11.86726 
1 1 1 9   16 15 o 164.0721 3.758718 2323.720       105.3116 2201.932       211.7905 2363.723       121.3812 156.6210 7.944722 165.2001 4.302684 -8.579041      9.035026 
1 1 1 9   16 16 o 81.79496 4.208638 581.1027       58.58626 650.1616       123.7151 561.1387       66.51765 84.27848 8.722388 80.13868 4.883942 4.139801       9.996646 
1 1 1 9   16 17 o 101.1515 3.866509 885.6651       66.78720 1163.806       140.4623 804.4127       75.91819 113.8113 7.265150 96.11842 4.625272 17.69289       8.612523 
1 1 1 9   16 18 o 28.83138 7.836695 77.89141       39.59436 143.3289       98.13990 65.16934       43.27240 38.02175 12.78633 26.69187 8.460952 11.32989       15.33225 
1 1 1 9   17 0  o 76.33566 5.365684 504.5814       69.50010 445.1033       120.4897 534.2376       85.08036 70.32386 10.34224 78.32820 6.417085 -8.004341      12.17131 
1 1 1 9   17 1  o 94.05905 4.744719 763.0450       75.96448 731.4104       135.8841 777.4260       91.61823 90.95565 8.861098 94.73763 5.689507 -3.781975      10.53041 
1 1 1 9   17 2  o 20.98616 8.946948 1.587334       56.46578 136.0243       82.38839 -117.4962      77.54120 38.68731 11.57257 17.68723 8.536975 21.00008       14.38069 
1 1 1 9   17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   17 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   17 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   17 6  o 98.83193 4.860064 842.5218       82.02405 1030.803       161.8512 777.4533       95.14762 107.7270 8.877152 94.53053 5.924115 13.19650       10.67235 
1 1 1 9   17 7  o 110.3511 4.473825 1049.484       84.30583 1329.391       153.6342 928.8830       100.8454 123.0313 7.346114 103.3574 5.736172 19.67390       9.320357 
1 1 1 9   17 8  o 19.32748 8.463668 -9.215626      53.28904 92.80893       126.4388 -31.25259      58.76301 36.45765 14.16509 18.66381 8.475615 17.79384       16.50714 
1 1 1 9   17 9  o 51.34900 6.860253 234.5979       58.65116 440.1057       115.5430 163.2637       68.07356 69.32516 10.05331 41.89486 9.705527 27.43030       13.97377 
1 1 1 9   17 10 o 72.95881 5.224889 463.9705       64.66541 590.4407       112.6266 401.7758       78.98117 81.19992 8.236358 67.32048 6.971308 13.87944       10.79058 
1 1 1 9   17 11 o 102.3819 4.710998 907.9294       82.36408 1073.782       149.9800 836.3121       98.55552 109.5821 8.071603 97.68613 5.936214 11.89599       10.01945 
1 1 1 9   17 12 o 86.42622 4.895133 650.8438       71.94891 553.3511       124.2663 700.0072       88.24462 77.48187 9.597210 89.27593 5.820144 -11.79406      11.22410 
1 1 1 9   17 13 o 38.57042 8.050734 137.9585       51.31307 -46.48347      97.62973 208.3563       60.31589 23.60941 10.79955 47.78326 7.649939 -24.17385      13.23449 
1 1 1 9   17 14 o 83.12852 4.360569 601.0702       61.68470 644.1664       122.9310 586.5676       71.31233 83.84664 8.712900 81.82939 5.129252 2.017250       10.11058 
1 1 1 9   17 15 o 79.68801 4.385962 553.4608       59.45449 484.9646       121.2592 575.1389       68.21706 71.46513 10.22785 81.01301 4.954833 -9.547882      11.36482 
1 1 1 9   17 16 f 68.43661 4.685435 410.5945       54.42757 492.9090       133.4732 394.1769       59.60873 70.88122 11.41467 66.81972 5.266697 4.061501       12.57111 
1 1 1 9   18 0  o 23.04501 8.947906 31.14303       50.42702 73.32546       77.93869 0.7697042      66.13533 30.95655 11.31441 22.46550 9.632772 8.491043       14.85955 
1 1 1 9   18 1  o 95.06063 4.482634 778.6747       72.76723 780.0007       123.0939 777.9624       90.21925 94.00578 7.736646 94.61485 5.608923 -0.6090622     9.555925 
1 1 1 9   18 2  o 96.97100 4.647851 811.1542       76.96548 845.9434       126.3622 790.6358       97.04338 97.92145 7.616720 95.23643 5.997705 2.685013       9.694683 
1 1 1 9   18 3  o 60.41202 5.996922 320.1227       61.04870 191.1999       113.0494 373.1963       72.53424 44.86192 13.58688 65.09359 6.617349 -20.23167      15.11267 
1 1 1 9   18 4  f 39.53522 8.851442 143.9331       58.27038 255.5055       106.3364 96.05174       69.66053 51.79425 12.22007 32.92345 10.76269 18.87080       16.28391 
1 1 1 9   18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   18 6  o 86.79642 5.312808 655.9553       78.36681 472.0428       134.4027 750.6880       96.46112 71.02802 11.47192 92.58295 6.136038 -21.55492      13.00984 
1 1 1 9   18 7  o 114.7273 4.660496 1138.707       91.30633 1005.169       175.4453 1188.310       106.9278 105.0311 9.898633 116.9556 5.353864 -11.92458      11.25375 
1 1 1 9   18 8  o 53.12820 6.926237 252.4063       61.34367 279.9990       116.4379 241.8054       72.17181 53.43764 12.90537 51.40779 8.519567 2.029846       15.46388 
1 1 1 9   18 9  o 35.71359 9.360366 119.9631       57.77862 140.4188       133.7984 115.2741       64.05943 39.76232 14.77358 34.98839 10.13613 4.773926       17.91647 
1 1 1 9   18 10 o 26.20765 9.460366 55.26601       54.24459 -94.68549      109.0462 104.5730       62.53015 22.90450 10.78833 33.37148 10.10441 -10.46698      14.78131 
1 1 1 9   18 11 o 26.82196 9.682118 58.71568       56.81739 206.5374       158.1213 36.79975       60.88373 45.02082 16.16388 24.67379 9.756651 20.34703       18.88024 
1 1 1 9   18 12 o 45.19220 8.127489 189.1655       60.41620 344.6136       100.8964 102.2732       75.43513 60.23104 10.17193 33.24114 11.20996 26.98990       15.13709 
1 1 1 9   18 13 o 22.76042 9.030240 30.52701       52.31736 23.39714       91.96072 33.93896       63.61547 26.94504 11.45089 24.56356 9.885795 2.381479       15.12785 
1 1 1 9   18 14 f 51.11046 6.392538 235.6367       54.57341 359.4345       105.1329 189.9753       63.84946 60.89499 10.48862 44.83774 8.652407 16.05725       13.59689 
1 1 1 9   19 0  f 52.93930 6.608885 249.0379       58.44446 190.4591       102.7427 277.0607       71.06174 44.41653 12.82793 55.51227 7.703941 -11.09573      14.96351 
1 1 1 9   19 1  o 48.66286 6.904057 211.8228       55.76378 240.8863       103.5241 199.9432       66.18640 49.95887 12.23261 46.68952 8.618839 3.269352       14.96400 
1 1 1 9   19 2  o 50.83533 6.951994 231.1529       58.76827 286.9473       91.48470 191.9528       76.68262 55.53600 10.01499 45.15744 10.18660 10.37856       14.28520 
1 1 1 9   19 3  o 65.13434 6.118637 374.1799       67.25832 477.5233       137.0954 341.4227       77.18532 70.94634 11.72556 61.70850 7.477314 9.237846       13.90680 
1 1 1 9   19 4  o 39.49147 9.892019 147.4537       66.56757 -91.22964      166.1241 193.1096       72.65576 29.62436 13.74209 45.34694 9.677302 -15.72258      16.80760 
1 1 1 9   19 5  o 83.15587 5.485512 605.9622       77.45788 724.8852       184.9675 580.6724       85.29713 86.35728 12.94143 81.10471 6.205755 5.252571       14.35242 
1 1 1 9   19 6  o 33.81269 10.29925 107.5105       64.82376 140.0360       174.5009 102.3035       69.82004 41.17074 16.44220 33.23495 10.77001 7.935783       19.65551 
1 1 1 9   19 7  o 50.66192 11.89973 253.0282       101.1967 0.000000       0.000000 253.0282       101.1967 ?        ?        50.66192 11.89973 0.000000       11.89973 
1 1 1 9   19 8  o 71.16467 6.210271 449.9742       74.71425 687.1344       204.7530 413.5453       80.24757 81.08524 15.34930 67.83226 7.029830 13.25298       16.88252 
1 1 1 9   19 9  o 18.62443 8.389579 -21.34215      56.21764 -103.5398      156.5478 -9.172675      60.23560 27.69696 13.00811 20.25885 8.931058 7.438112       15.77893 
1 1 1 9   19 10 o 35.70926 9.603093 122.7050       59.83131 225.9096       163.3733 106.7192       64.29833 45.81427 16.43210 33.40014 10.27279 12.41413       19.37896 
1 1 1 9   19 11 o 22.39514 9.255678 21.07185       57.57468 179.0874       161.3231 -1.992431      61.63347 41.92728 16.07802 20.93335 9.136209 20.99393       18.49251 
1 1 1 9   20 0  o 36.07377 9.238150 123.4050       57.15725 293.6391       97.93978 35.48016       70.38686 55.28703 10.76089 25.68377 10.37680 29.60326       14.94907 
1 1 1 9   20 1  o 25.70558 9.993110 44.29338       62.95507 -1.922972      95.26304 80.12704       83.88265 25.78962 11.30428 31.30313 11.68434 -5.513517      16.25763 
1 1 1 9   20 2  o 41.73376 9.755270 166.7159       68.27579 186.4822       146.3613 161.2182       77.18900 43.10392 15.54276 40.64791 10.89748 2.456001       18.98243 
1 1 1 9   20 3  o 25.14183 10.02458 37.50180       64.76793 15.03962       145.0783 43.09292       72.38124 31.68342 13.91741 26.55204 10.59408 5.131384       17.49083 
1 1 1 9   20 4  o 55.45415 8.123816 283.1412       74.64879 272.1577       156.2605 286.3891       84.97185 49.95606 16.10408 55.15390 9.356260 -5.197838      18.62474 
1 1 1 9   20 5  o 35.78571 10.69202 123.9538       70.35823 57.88192       153.9193 141.4063       79.10667 34.52243 14.74605 37.96338 11.33606 -3.440945      18.59979 
1 1 1 9   20 6  o 47.26479 9.864863 214.9204       77.04861 240.5451       158.9618 207.0517       88.08765 46.92543 16.26103 45.63190 11.35106 1.293530       19.83098 
1 1 1 9   20 7  o 29.39826 10.74359 73.90732       70.26986 91.88538       192.3741 71.13921       75.48603 38.04108 16.37277 29.45282 11.06631 8.588253       19.76185 
1 1 1 9   20 8  o 60.80262 7.642963 339.9121       77.60356 439.5005       203.8180 323.0269       83.92493 59.88659 18.26720 58.69789 8.630380 1.188694       20.20332 
1 1 1 9   21 0  o 33.77312 11.50984 108.8193       79.53336 -37.18147      175.7201 146.4348       89.19229 31.33200 14.38945 38.19040 12.15164 -6.858393      18.83397 
1 1 1 9   21 1  o 40.60286 10.60439 163.3913       74.32760 242.4895       180.1722 147.1691       81.59430 46.28194 17.15403 38.30659 11.52980 7.975349       20.66874 
1 1 1 9   21 2  o 80.92416 6.188283 585.7363       84.86833 842.1794       167.2813 496.8513       98.48411 93.21119 10.70354 73.40002 7.986075 19.81116       13.35452 
1 1 1 9   21 3  o 48.43686 9.726106 227.6200       77.65382 188.8763       189.0034 235.4884       85.17487 42.51819 17.06516 48.81076 10.52806 -6.292568      20.05142 
1 1 1 9   21 4  o 23.35713 10.01704 11.86415       71.54221 -142.6701      187.6046 38.16151       77.39041 28.51653 13.63650 26.24466 10.77609 2.271864       17.38040 
1 1 1 10  0  0  o 343.8680 10.20389 10145.38       597.9890 10145.38       597.9890 10145.38       597.9890 343.8680 10.20389 343.8680 10.20389 0.000000       0.000000 
1 1 1 10  0  1  o 284.1017 8.309417 6917.873       402.3509 6917.873       402.3509 6917.873       402.3509 284.1017 8.309417 284.1017 8.309417 0.000000       0.000000 
1 1 1 10  0  2  o 454.1746 7.465154 17641.85       578.6273 17641.85       578.6273 17641.85       578.6273 454.1746 7.465154 454.1746 7.465154 0.000000       0.000000 
1 1 1 10  0  3  f 539.3772 10.98743 24913.76       1011.076 24913.76       1011.076 24913.76       1011.076 539.3772 10.98743 539.3772 10.98743 0.000000       0.000000 
1 1 1 10  0  4  o 380.3738 6.501592 12371.76       422.0327 12371.76       422.0327 12371.76       422.0327 380.3738 6.501592 380.3738 6.501592 0.000000       0.000000 
1 1 1 10  0  5  o 135.4235 5.923209 1575.650       136.3824 1575.650       136.3824 1575.650       136.3824 135.4235 5.923209 135.4235 5.923209 0.000000       0.000000 
1 1 1 10  0  6  o 218.0928 4.599075 4067.935       171.1109 4067.935       171.1109 4067.935       171.1109 218.0928 4.599075 218.0928 4.599075 0.000000       0.000000 
1 1 1 10  0  7  o 471.8285 8.244884 19047.02       663.8524 19047.02       663.8524 19047.02       663.8524 471.8285 8.244884 471.8285 8.244884 0.000000       0.000000 
1 1 1 10  0  8  o 306.9799 5.878526 8060.212       307.9079 8060.212       307.9079 8060.212       307.9079 306.9799 5.878526 306.9799 5.878526 0.000000       0.000000 
1 1 1 10  0  9  o 137.8323 4.810876 1628.835       112.9213 1628.835       112.9213 1628.835       112.9213 137.8323 4.810876 137.8323 4.810876 0.000000       0.000000 
1 1 1 10  0  10 o 515.7565 8.778233 22779.38       772.6271 22779.38       772.6271 22779.38       772.6271 515.7565 8.778233 515.7565 8.778233 0.000000       0.000000 
1 1 1 10  0  11 o 102.0126 6.214120 899.5123       107.3317 899.5123       107.3317 899.5123       107.3317 102.0126 6.214120 102.0126 6.214120 0.000000       0.000000 
1 1 1 10  0  12 o 188.4886 7.005472 3052.036       224.7817 3052.036       224.7817 3052.036       224.7817 188.4886 7.005472 188.4886 7.005472 0.000000       0.000000 
1 1 1 10  0  13 o 224.0114 5.195481 4297.057       198.5043 4297.057       198.5043 4297.057       198.5043 224.0114 5.195481 224.0114 5.195481 0.000000       0.000000 
1 1 1 10  0  14 o 95.76041 5.284427 791.2654       85.81278 791.2654       85.81278 791.2654       85.81278 95.76041 5.284427 95.76041 5.284427 0.000000       0.000000 
1 1 1 10  0  15 o 143.3104 4.685225 1761.562       114.3819 1761.562       114.3819 1761.562       114.3819 143.3104 4.685225 143.3104 4.685225 0.000000       0.000000 
1 1 1 10  0  16 o 182.5447 5.083435 2856.796       158.1853 2856.796       158.1853 2856.796       158.1853 182.5447 5.083435 182.5447 5.083435 0.000000       0.000000 
1 1 1 10  0  17 o 124.7558 19.54867 1455.344       385.9462 1455.344       385.9462 1455.344       385.9462 124.7558 19.54867 124.7558 19.54867 0.000000       0.000000 
1 1 1 10  0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  20 o 136.4710 5.422147 1602.302       125.9080 1602.302       125.9080 1602.302       125.9080 136.4710 5.422147 136.4710 5.422147 0.000000       0.000000 
1 1 1 10  0  21 o 72.03823 7.568089 460.6846       90.74882 460.6846       90.74882 460.6846       90.74882 72.03823 7.568089 72.03823 7.568089 0.000000       0.000000 
1 1 1 10  0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  23 o 52.12194 11.51091 267.6723       89.61010 267.6723       89.61010 267.6723       89.61010 52.12194 11.51091 52.12194 11.51091 0.000000       0.000000 
1 1 1 10  0  24 f 124.2734 5.915694 1337.974       124.8927 1337.974       124.8927 1337.974       124.8927 124.2734 5.915694 124.2734 5.915694 0.000000       0.000000 
1 1 1 10  0  25 o 202.6165 5.876316 3547.915       202.9339 3547.915       202.9339 3547.915       202.9339 202.6165 5.876316 202.6165 5.876316 0.000000       0.000000 
1 1 1 10  0  26 o 165.3995 5.835079 2371.190       164.3446 2371.190       164.3446 2371.190       164.3446 165.3995 5.835079 165.3995 5.835079 0.000000       0.000000 
1 1 1 10  0  27 o 109.0635 6.489012 1042.519       119.8742 1042.519       119.8742 1042.519       119.8742 109.0635 6.489012 109.0635 6.489012 0.000000       0.000000 
1 1 1 10  1  0  o 443.3573 7.151182 16819.02       541.4191 16602.06       911.9087 16937.14       672.8452 439.6113 12.14732 444.6593 8.861063 -5.048035      15.03582 
1 1 1 10  1  1  o 170.9770 3.558139 2497.130       103.8873 2574.682       174.2145 2454.335       129.4146 173.5448 5.878558 169.4837 4.471502 4.061050       7.385918 
1 1 1 10  1  2  o 540.4364 8.364309 24991.30       771.9276 25389.91       1301.357 24774.92       958.8255 543.6811 14.01684 537.7714 10.44095 5.909668       17.47814 
1 1 1 10  1  3  o 350.9886 5.801626 10528.64       347.7320 9978.161       584.2493 10830.61       432.7208 341.3670 10.02247 355.9004 7.119956 -14.53342      12.29405 
1 1 1 10  1  4  o 803.5617 10.25284 55296.87       1406.907 54356.45       1989.674 56237.27       1989.661 795.4724 14.64721 809.1998 14.39863 -13.72736      20.53926 
1 1 1 10  1  5  o 157.6786 3.007207 2123.405       80.97257 2269.549       118.3350 1994.729       111.0380 162.9928 4.251507 152.8060 4.255293 10.18678       6.015216 
1 1 1 10  1  6  o 254.9105 4.306934 5551.327       187.4813 5652.219       266.1962 5452.022       264.0934 257.1441 6.062103 252.5462 6.123712 4.597916       8.616782 
1 1 1 10  1  7  o 273.3719 4.003260 6384.299       186.8829 6458.777       264.7048 6310.282       263.8819 274.8892 5.639001 271.7083 5.687281 3.180878       8.008964 
1 1 1 10  1  8  o 463.2263 5.930896 18345.60       469.1540 18429.58       663.4838 18261.61       663.4843 463.9815 8.373899 461.8566 8.412432 2.124878       11.86976 
1 1 1 10  1  9  o 187.1241 3.247409 2991.150       103.7692 3026.441       147.0380 2956.133       146.4674 188.1806 4.575650 185.9805 4.611812 2.200073       6.496567 
1 1 1 10  1  10 f 196.4767 3.810499 3298.687       127.8483 3185.097       156.3105 3528.249       222.2126 193.0220 4.742193 203.0502 6.408600 -10.02823      7.972362 
1 1 1 10  1  11 o 179.9178 4.042392 2766.918       124.1979 2836.716       212.0848 2730.490       153.2180 181.9885 6.824386 178.6763 5.021585 3.312195       8.472813 
1 1 1 10  1  12 o 276.1668 5.102908 6525.952       240.6529 6033.008       403.8058 6797.464       299.6875 264.9494 8.924989 281.7056 6.229759 -16.75613      10.88418 
1 1 1 10  1  13 o 216.8547 4.385890 4022.687       162.4159 4276.429       204.5479 3589.762       267.1810 223.4872 5.359700 204.4662 7.652128 19.02103       9.342454 
1 1 1 10  1  14 o 119.1868 3.407469 1214.450       69.35249 1173.289       100.2176 1252.275       96.07219 117.0633 5.013271 120.9626 4.650983 -3.899254      6.838459 
1 1 1 10  1  15 o 179.5080 3.572182 2755.658       109.5013 2578.840       151.5212 2948.959       158.4259 173.5098 5.113844 185.5569 4.999738 -12.04713      7.151837 
1 1 1 10  1  16 o 191.6009 3.710439 3140.418       121.4017 3170.846       172.2611 3110.393       171.1203 192.3457 5.244484 190.5012 5.260197 1.844543       7.427939 
1 1 1 10  1  17 o 138.6649 12.39879 1691.537       290.4968 1583.979       406.1109 1804.236       415.7062 131.7916 18.55894 141.2122 17.62260 -9.420609      25.59277 
1 1 1 10  1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  1  19 o 250.0106 4.342084 5353.649       185.3782 5430.656       261.5718 5275.940       262.7609 251.4216 6.092372 247.7847 6.209898 3.636917       8.699415 
1 1 1 10  1  20 o 178.9794 5.460181 2751.426       166.8830 2971.762       244.8901 2560.389       228.0276 185.4564 7.732633 172.1359 7.757361 13.32053       10.95309 
1 1 1 10  1  21 o 158.6731 3.880525 2158.108       105.1467 2124.059       143.6158 2197.445       154.3652 157.1406 5.351949 159.7627 5.658118 -2.622147      7.788302 
1 1 1 10  1  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  1  23 o 37.01326 9.050396 125.3040       56.72701 79.60810       76.69562 180.4964       84.28918 31.66219 11.26901 44.09560 11.17856 -12.43342      15.87296 
1 1 1 10  1  24 o 50.89104 7.295557 230.7482       61.58811 239.8153       83.41097 219.8792       91.32329 51.08235 9.919637 48.46900 11.25021 2.613346       14.99888 
1 1 1 10  1  25 o 91.53601 4.651966 725.9600       72.47691 724.8689       93.59420 727.5941       114.5467 91.01092 6.056764 90.61527 7.469058 0.3956451      9.616196 
1 1 1 10  1  26 o 100.2583 4.405004 869.5397       75.41691 864.0378       100.4070 876.6619       114.2378 99.24560 5.951974 99.59004 6.757243 -0.3444443     9.004795 
1 1 1 10  1  27 o 56.96900 7.604094 293.8291       72.12877 369.0190       105.1520 227.0109       99.12551 62.66585 10.17520 48.03706 12.09236 14.62878       15.80380 
1 1 1 10  2  0  o 392.7154 7.329700 13194.61       491.5481 13547.64       694.8660 12840.98       695.4424 397.5574 10.23527 387.0070 10.52302 10.55035       14.67974 
1 1 1 10  2  1  o 424.7791 6.852714 15429.79       497.0816 15579.97       837.2697 15348.04       617.7296 426.2520 11.50263 423.4738 8.542203 2.778137       14.32758 
1 1 1 10  2  2  o 390.5244 6.533642 13038.01       435.7179 12837.76       733.3618 13147.26       541.6929 387.0587 11.09531 392.0265 8.091627 -4.967773      13.73246 
1 1 1 10  2  3  o 518.8523 7.311801 23020.43       647.8434 22635.23       1092.011 23229.63       804.7616 513.7601 12.44700 520.9966 9.045454 -7.236511      15.38662 
1 1 1 10  2  4  o 405.2376 6.027647 14036.05       417.1185 14323.22       702.5279 13879.69       518.3802 408.9814 10.05908 402.8559 7.535234 6.125519       12.56840 
1 1 1 10  2  5  o 168.8550 3.980373 2435.602       114.7729 2516.295       197.7113 2394.588       140.9546 171.5529 6.748878 167.4060 4.930676 4.146896       8.358165 
1 1 1 10  2  6  o 340.9142 4.613295 9930.146       268.5704 10113.47       376.7892 9740.811       382.9167 343.9381 6.415290 337.5260 6.643472 6.412109       9.235349 
1 1 1 10  2  7  f 197.1679 3.794393 3320.937       127.7558 3301.749       182.8253 3339.248       178.5968 196.5456 5.447173 197.6642 5.291070 -1.118683      7.593887 
1 1 1 10  2  8  o 309.7276 4.654185 8197.879       246.1646 8492.279       350.3267 7910.750       345.9726 315.1118 6.510386 304.1196 6.661859 10.99222       9.314799 
1 1 1 10  2  9  o 189.0657 3.927428 3054.335       126.8011 3151.523       160.5449 2893.174       206.7378 192.0111 4.896302 183.8880 6.583618 8.123123       8.204742 
1 1 1 10  2  10 o 107.0180 3.590973 978.6085       65.62525 869.6324       127.2639 1018.083       76.59418 100.4846 7.469992 109.1425 4.109602 -8.657951      8.525820 
1 1 1 10  2  11 o 135.0043 3.288217 1557.391       75.80716 1629.705       110.7330 1493.606       103.9986 138.0485 4.697247 132.1624 4.608058 5.886124       6.580146 
1 1 1 10  2  12 o 82.61615 3.662168 583.4454       51.66603 616.5906       78.24121 557.8170       68.79961 84.69863 5.438246 80.58508 5.024557 4.113548       7.404100 
1 1 1 10  2  13 o 230.5687 3.732007 4545.405       146.9416 4506.042       212.1307 4581.715       203.7369 229.3932 5.415281 231.3426 5.157179 -1.949356      7.478086 
1 1 1 10  2  14 o 115.9975 4.389872 1151.362       86.95659 1195.764       121.9848 1105.488       123.9901 117.9412 6.077389 113.3423 6.432595 4.598907       8.849460 
1 1 1 10  2  15 f 126.0226 3.465125 1358.088       74.57086 1461.611       110.0276 1270.136       101.4162 130.6358 4.932164 121.7830 4.876618 8.852875       6.935968 
1 1 1 10  2  16 o 49.75739 6.369768 216.0001       52.88073 211.6769       72.76164 220.8399       76.98633 48.75204 9.073849 49.75880 9.404889 -1.006763      13.06854 
1 1 1 10  2  17 o 153.2790 12.66859 2067.190       328.6267 2116.307       459.9337 2015.961       469.7174 152.8917 17.95807 148.7219 18.92386 4.169785       26.08840 
1 1 1 10  2  18 o 171.1291 5.510067 2512.092       161.0211 2644.909       233.6134 2391.883       222.2480 175.1862 7.809009 166.5953 7.812195 8.590897       11.04586 
1 1 1 10  2  19 o 263.5492 4.419221 5950.074       198.8884 6086.318       280.5132 5812.348       282.0342 266.1347 6.172340 260.0270 6.351575 6.107727       8.856651 
1 1 1 10  2  20 o 156.7219 3.829722 2103.495       102.4941 2167.713       146.4017 2041.765       143.5378 158.8605 5.396703 154.1668 5.452218 4.693634       7.671446 
1 1 1 10  2  21 o 76.31302 5.649546 504.1984       73.09998 551.5143       91.30811 419.7378       121.9923 79.59908 6.782050 68.28582 10.82254 11.31326       12.77199 
1 1 1 10  2  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  2  23 o 87.78824 4.791142 665.9320       71.55375 518.9232       106.9940 784.8801       96.24238 76.50234 8.324330 95.03152 5.960752 -18.52917      10.23841 
1 1 1 10  2  24 o 34.82556 9.215961 111.4828       55.66074 106.2939       78.39509 116.7577       79.04124 34.69777 11.42116 35.98254 11.43822 -1.284775      16.16402 
1 1 1 10  2  25 o 28.40033 9.830709 67.43690       58.09097 128.5319       78.69041 -5.734323      86.11707 37.16693 11.35337 24.79469 10.81106 12.37224       15.67731 
1 1 1 10  2  26 o 56.26653 6.733020 282.2852       63.40875 268.7328       81.12088 303.5710       101.6642 53.95707 9.129699 56.58971 10.91588 -2.632637      14.23052 
1 1 1 10  2  27 o 47.74172 8.191574 209.7127       64.37852 191.6800       87.59005 230.9005       94.94388 44.31542 11.48148 48.62900 11.59631 -4.313580      16.31867 
1 1 1 10  3  0  o 892.7395 15.87028 68603.45       2419.419 66974.10       3491.887 70107.87       3355.348 877.9907 23.28994 899.2259 21.85077 -21.23523      31.93552 
1 1 1 10  3  1  o 229.8700 4.920183 4514.913       193.1370 4190.178       271.2364 4848.910       275.0781 221.3594 7.175433 238.1446 6.764151 -16.78523      9.861063 
1 1 1 10  3  2  o 388.9173 8.609890 12942.09       571.8166 12815.74       808.5279 13068.52       808.8137 386.5969 12.24714 390.4064 12.13192 -3.809570      17.23879 
1 1 1 10  3  3  o 370.5990 6.068624 11739.21       384.0576 12126.43       646.5622 11528.10       477.4071 376.3144 10.06138 367.1402 7.614740 9.174255       12.61807 
1 1 1 10  3  4  o 405.5598 5.894642 14058.21       408.2388 14598.60       696.4459 13775.33       503.8835 412.8965 9.877438 401.3439 7.352103 11.55261       12.31329 
1 1 1 10  3  5  o 42.10284 5.537609 154.1105       38.84813 155.4982       63.84371 153.2946       48.95405 41.80845 9.192642 41.75836 7.120442 0.5009079E-01  11.62778 
1 1 1 10  3  6  o 209.1040 4.596745 3735.960       164.1401 3750.458       275.7461 3728.004       204.2726 209.3757 7.712252 208.8406 5.727871 0.5350800      9.606629 
1 1 1 10  3  7  o 520.2220 6.869496 23147.29       610.2609 24407.20       1029.010 22463.74       757.9365 533.4078 11.29687 512.2219 8.665085 21.18597       14.23738 
1 1 1 10  3  8  o 353.4576 5.448525 10680.64       328.8654 10657.16       409.7991 10723.12       551.1894 352.9442 6.799282 353.7553 9.124224 -0.8111877     11.37900 
1 1 1 10  3  9  o 135.0375 3.935068 1558.221       90.74203 1807.011       179.1601 1472.378       105.2389 145.2809 7.221560 131.2429 4.695679 14.03796       8.613961 
1 1 1 10  3  10 f 230.4749 3.915236 4539.763       154.0932 4658.233       224.0040 4433.343       212.3075 233.3447 5.621546 227.6549 5.461180 5.689835       7.837491 
1 1 1 10  3  11 o 243.2761 4.135518 5059.824       171.8032 5354.349       247.3042 4785.093       238.8492 250.1004 5.790487 236.4188 5.916159 13.68158       8.278326 
1 1 1 10  3  12 o 211.4228 3.723208 3821.413       134.4222 4034.122       195.9153 3632.204       184.7767 217.0882 5.284820 205.9935 5.252809 11.09471       7.451263 
1 1 1 10  3  13 o 110.3193 3.650071 1040.577       68.76299 1075.139       99.74299 1009.272       94.92679 112.0562 5.212482 108.5748 5.119856 3.481377       7.306360 
1 1 1 10  3  14 o 153.7645 3.609882 2021.868       94.78747 1803.845       138.4351 2214.298       130.0564 145.0820 5.587670 160.8262 4.735576 -15.74428      7.324461 
1 1 1 10  3  15 o 82.14263 4.875577 579.9352       68.08436 588.7458       95.08143 570.6636       97.53718 82.51077 6.808948 81.17899 7.107585 1.331779       9.842741 
1 1 1 10  3  16 o 232.6619 4.686286 4636.447       186.1898 4642.479       234.4803 4626.153       306.3097 232.5994 5.903313 231.7771 7.739062 0.8223572      9.733560 
1 1 1 10  3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3  18 o 227.9452 4.203384 4448.789       163.6181 4622.813       235.9718 4287.651       227.0670 232.0360 5.955287 223.4673 5.950289 8.568726       8.418514 
1 1 1 10  3  19 o 37.21239 8.667051 124.5051       54.05033 151.8585       86.39855 106.9161       69.28201 41.15478 11.72581 34.94783 10.64809 6.206951       15.83908 
1 1 1 10  3  20 o 94.48135 4.401685 765.4241       71.01775 797.8101       108.2583 740.9587       94.09337 95.97791 6.646134 92.60547 5.982027 3.372437       8.941797 
1 1 1 10  3  21 o 78.85840 5.048130 536.9604       67.62305 582.6062       109.5152 508.8321       85.96992 81.50201 7.970750 76.43825 6.652518 5.063766       10.38214 
1 1 1 10  3  22 o 48.24946 7.710040 207.5086       61.38721 221.8594       91.73230 195.8697       82.61154 49.02599 11.20205 46.13514 10.69448 2.890842       15.48734 
1 1 1 10  3  23 o 80.89406 6.731007 572.8160       92.13778 642.8266       175.3326 546.1065       108.2965 83.27871 12.73354 78.50784 8.198877 4.770866       15.14479 
1 1 1 10  3  24 o 88.14442 4.835052 672.8644       72.49975 503.1999       108.0872 811.6296       97.75052 74.99799 8.594769 96.49210 5.961532 -21.49411      10.45992 
1 1 1 10  3  25 o 71.06393 5.720094 442.3866       68.82729 519.0743       100.0914 373.5970       94.79722 76.22627 7.799192 64.10899 8.899153 12.11729       11.83310 
1 1 1 10  3  26 o 84.32099 5.433875 622.0259       77.82674 707.5761       117.0409 554.2155       104.2018 88.86652 7.791198 78.53693 7.875718 10.32960       11.07834 
1 1 1 10  3  27 o 30.47536 10.06792 84.11633       60.89795 249.9462       112.4942 15.37466       72.42841 49.82362 13.06210 24.18328 10.21368 25.64034       16.58125 
1 1 1 10  4  0  o 247.4127 4.629004 5229.838       195.5742 5020.871       279.8708 5429.269       273.4097 242.3332 6.763051 252.0161 6.353070 -9.682892      9.279028 
1 1 1 10  4  1  o 657.7336 10.92288 37064.49       1226.844 36984.61       1770.908 37138.21       1701.228 655.7983 15.81335 657.3497 15.15528 -1.551392      21.90307 
1 1 1 10  4  2  o 267.7451 5.697669 6126.668       260.5077 6085.554       376.2582 6164.524       361.0399 266.7066 8.261336 268.4557 7.875545 -1.749115      11.41376 
1 1 1 10  4  3  o 249.5499 5.026384 5321.273       214.1978 5293.880       302.4455 5348.839       303.3996 248.8121 7.118259 250.1011 7.103910 -1.288956      10.05660 
1 1 1 10  4  4  o 576.1602 8.300567 28404.72       816.6818 28608.15       1376.716 28294.26       1014.452 577.0870 13.97015 574.6995 10.33686 2.387512       17.37860 
1 1 1 10  4  5  o 318.6159 5.750778 8677.234       312.8931 8181.813       526.3338 8948.010       389.1159 309.0482 9.973167 323.4606 7.044588 -14.41241      12.21025 
1 1 1 10  4  6  o 215.8714 4.733814 3982.084       174.5052 4237.397       293.3230 3842.215       217.1053 222.5363 7.718683 211.9949 5.997124 10.54143       9.774638 
1 1 1 10  4  7  o 438.2680 7.506887 16437.79       561.8256 17802.70       795.0601 15076.43       794.0237 455.6581 10.21784 419.1619 11.09302 36.49619       15.08175 
1 1 1 10  4  8  o 313.3202 6.316588 8398.253       337.9659 8495.373       1176.333 8389.516       352.8420 310.9596 22.30066 313.1296 6.598639 -2.169952      23.25643 
1 1 1 10  4  9  o 171.8437 3.974807 2523.693       116.6411 2593.301       194.0346 2484.306       145.9569 174.0625 6.527880 170.4514 5.014438 3.611084       8.231513 
1 1 1 10  4  10 o 358.9891 4.789386 11021.19       293.6047 11052.66       416.7716 10990.19       413.6851 359.2110 6.794328 358.1997 6.763053 1.011353       9.586541 
1 1 1 10  4  11 o 135.0142 3.296714 1557.857       76.00861 1468.102       114.6586 1628.222       101.5212 130.9825 5.126155 137.9852 4.308463 -7.002686      6.696291 
1 1 1 10  4  12 o 213.6829 3.959458 3904.593       144.4799 4124.095       209.1630 3704.286       199.8087 219.4414 5.581672 207.9677 5.626216 11.47369       7.925236 
1 1 1 10  4  13 o 158.3717 4.667142 2146.654       126.2207 2031.129       175.8967 2269.289       181.2288 153.8578 6.694778 162.6481 6.524938 -8.790237      9.348522 
1 1 1 10  4  14 o 143.7459 3.484995 1766.917       85.54599 1852.485       127.9942 1697.833       115.0060 147.0596 5.096769 140.8144 4.782682 6.245270       6.989357 
1 1 1 10  4  15 o 182.6105 3.703689 2852.557       115.4947 2784.040       170.1239 2911.131       157.2975 180.1978 5.528585 184.3349 4.997036 -4.137100      7.452223 
1 1 1 10  4  16 o 178.4377 12.53472 2794.412       379.5234 2833.028       533.9884 2754.993       539.5084 177.2368 17.88786 174.5019 18.38137 2.734909       25.64860 
1 1 1 10  4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4  18 o 240.5073 4.153624 4952.975       170.5915 5160.681       247.6219 4765.344       235.3512 245.1401 5.915245 235.5782 5.850316 9.561844       8.319634 
1 1 1 10  4  19 o 106.8601 3.905846 977.7906       71.27421 1001.523       114.1453 962.6243       91.24952 107.7354 6.230970 105.9270 5.044546 1.808426       8.017009 
1 1 1 10  4  20 o 102.4914 4.250736 900.7886       74.39669 951.9756       114.4642 863.3490       97.89400 104.8832 6.421829 99.99752 5.757095 4.885643       8.624618 
1 1 1 10  4  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4  22 o 213.1446 4.040317 3901.803       147.0590 4110.816       213.8231 3714.197       202.5779 218.1309 5.740312 207.3493 5.721207 10.78160       8.104528 
1 1 1 10  4  23 o 157.2443 4.032544 2126.096       108.2820 2201.900       156.5238 2056.520       149.9550 159.4461 5.748632 154.1117 5.698012 5.334412       8.094079 
1 1 1 10  4  24 o 23.53660 10.24514 -6.204229      77.05027 -190.6528      165.1000 45.15405       87.11937 26.70314 12.77558 28.98824 11.60320 -2.285101      17.25833 
1 1 1 10  4  25 o 49.41414 7.973770 221.7295       64.99420 335.5540       112.2770 164.3649       79.70669 59.43140 11.47857 41.53159 11.04650 17.89981       15.93056 
1 1 1 10  4  26 o 75.80545 5.727818 504.8705       73.59940 430.8200       110.9542 563.0551       98.35207 68.16084 9.815552 79.38360 7.338264 -11.22276      12.25541 
1 1 1 10  4  27 o 82.98553 5.447126 605.2147       76.76338 727.6716       122.6066 526.2640       98.44653 89.54307 8.106142 76.30293 7.658741 13.24014       11.15194 
1 1 1 10  5  0  o 288.0061 5.540251 7088.736       272.4790 6761.782       392.5655 7392.691       378.5060 281.1359 8.176997 294.0026 7.539103 -12.86667      11.12211 
1 1 1 10  5  1  o 573.2300 10.17522 28143.53       996.0350 27277.43       1408.249 29010.50       1408.963 563.4074 14.63710 581.1398 14.19767 -17.73242      20.39163 
1 1 1 10  5  2  o 228.2803 4.788202 4452.624       186.6564 4597.535       269.8117 4319.612       258.4958 231.8813 6.813860 224.7671 6.734709 7.114182       9.580449 
1 1 1 10  5  3  f 170.3963 4.519425 2480.707       131.5060 2415.168       187.4735 2544.194       184.5167 168.0708 6.531993 172.5113 6.263488 -4.440475      9.049764 
1 1 1 10  5  4  o 323.4178 6.215089 8942.618       343.2521 8221.375       495.3793 9608.703       476.0604 309.8459 9.362466 335.0737 8.319930 -25.22787      12.52506 
1 1 1 10  5  5  o 278.5535 5.072355 6631.223       241.2794 6800.753       405.4987 6538.304       300.2064 281.8611 8.424661 276.5215 6.357539 5.339539       10.55430 
1 1 1 10  5  6  o 169.2901 4.042227 2448.625       116.8568 1719.777       383.6692 2523.151       122.6859 140.2519 16.32484 171.8431 4.180813 -31.59120      16.85169 
1 1 1 10  5  7  o 358.7584 5.648098 11006.14       346.0240 10918.38       582.1310 11054.09       430.2909 356.8221 9.553602 359.3917 7.011197 -2.569641      11.85024 
1 1 1 10  5  8  o 182.5222 3.915053 2846.933       122.0268 2658.300       203.3167 2953.139       152.5594 176.2218 6.756339 185.8550 4.806876 -9.633179      8.291814 
1 1 1 10  5  9  o 281.2410 5.163403 6765.489       247.9800 6436.389       417.8845 6944.373       308.0899 273.8319 8.936560 284.8075 6.334672 -10.97559      10.95400 
1 1 1 10  5  10 o 290.4520 4.935489 7217.149       244.7972 7584.509       412.5883 7017.570       304.1088 297.2583 8.127951 286.2441 6.221434 11.01419       10.23571 
1 1 1 10  5  11 o 258.8621 4.442949 5732.109       196.4001 5634.518       331.1314 5785.073       243.9404 256.1980 7.568725 259.9277 5.495779 -3.729645      9.353565 
1 1 1 10  5  12 o 142.8861 4.450272 1746.864       108.5872 1748.879       153.7806 1744.861       153.3512 142.8183 6.305443 142.6552 6.295024 0.1631165      8.909879 
1 1 1 10  5  13 o 282.3392 5.106726 6827.586       246.2157 6391.800       414.0414 7066.000       306.2482 272.3177 8.903608 287.0046 6.248601 -14.68692      10.87747 
1 1 1 10  5  14 o 68.89830 4.130435 407.6774       48.37241 358.1857       72.56790 447.2524       64.89176 64.23392 6.714998 72.04691 5.311854 -7.812981      8.561951 
1 1 1 10  5  15 o 63.86950 4.526447 351.0674       49.04906 400.8509       76.72094 316.6537       63.78767 67.97729 6.696136 60.40810 6.275147 7.569191       9.176912 
1 1 1 10  5  16 o 53.43016 23.56595 -53.82203      419.8890 -53.82203      419.8890 0.000000       0.000000 53.43016 23.56595 ?        ?        0.000000       23.56595 
1 1 1 10  5  17 o 91.08266 4.272994 710.3643       66.46146 837.6111       114.5591 645.8085       81.59689 98.45084 6.856903 86.58611 5.547714 11.86474       8.820105 
1 1 1 10  5  18 o 188.9372 4.575869 3058.862       147.6363 3190.448       188.6902 2851.141       237.0743 192.7625 5.732245 181.8312 7.635090 10.93129       9.547420 
1 1 1 10  5  19 o 128.2562 3.802256 1408.743       83.27634 1367.077       129.9206 1437.800       108.4951 126.0587 6.035362 129.4430 4.908284 -3.384338      7.779257 
1 1 1 10  5  20 o 116.2365 3.976346 1158.516       78.92754 1160.542       116.7948 1156.814       107.0779 115.8924 5.921327 115.9424 5.408237 -0.5000305E-01 8.019423 
1 1 1 10  5  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  5  22 o 81.19923 4.949264 570.3986       68.29929 587.3893       106.7912 558.6385       88.84557 81.64678 7.752375 79.96033 6.564609 1.686455       10.15842 
1 1 1 10  5  23 o 207.5110 4.137254 3705.698       146.6072 3556.762       212.9481 3839.901       202.1415 202.3342 6.163145 210.5379 5.622420 -8.203659      8.342420 
1 1 1 10  5  24 o 154.2008 4.121878 2049.714       108.5385 2083.924       163.7652 2022.914       144.9453 154.5551 6.204920 152.5951 5.562393 1.960007       8.333141 
1 1 1 10  5  25 o 134.7913 6.176544 1591.367       142.1705 1614.574       254.6374 1580.857       171.3677 131.4258 11.46060 133.3262 7.557912 -1.900345      13.72835 
1 1 1 10  5  26 o 74.92853 5.636590 493.5449       71.59324 571.8191       116.8981 446.5634       90.56521 79.13038 8.799971 70.40288 7.656454 8.727501       11.66451 
1 1 1 10  5  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  6  0  o 255.0845 6.186576 5562.463       269.4861 5286.366       379.5097 5843.269       382.7326 248.5091 8.942904 261.2978 8.577443 -12.78862      12.39145 
1 1 1 10  6  1  o 303.1960 5.840986 7857.761       302.4208 8152.102       436.7771 7586.707       419.1429 308.6500 8.286892 297.7578 8.243223 10.89215       11.68860 
1 1 1 10  6  2  o 229.9141 6.138435 4519.110       241.0046 4444.852       346.1437 4588.979       335.7574 227.8589 8.895875 231.5509 8.491356 -3.692078      12.29796 
1 1 1 10  6  3  o 225.5308 4.580401 4346.159       176.4052 4488.698       254.2743 4213.896       244.9368 229.1133 6.499056 221.9911 6.461249 7.122116       9.164359 
1 1 1 10  6  4  o 93.49780 6.191941 750.7594       98.30254 727.1598       109.3297 850.3631       224.6070 91.93208 7.017171 98.51833 13.72338 -6.586258      15.41337 
1 1 1 10  6  5  o 190.5855 6.241875 3106.469       203.1453 2765.028       707.9440 3137.107       212.0636 176.2798 24.15282 191.5105 6.484427 -15.23074      25.00813 
1 1 1 10  6  6  o 289.7725 5.084481 7178.564       251.5972 6890.652       433.6634 7324.642       308.8986 283.5240 8.956968 292.6172 6.181789 -9.093201      10.88310 
1 1 1 10  6  7  f 420.0229 6.777293 15102.71       486.1061 14975.46       818.7188 15171.99       604.1160 417.2281 11.49104 420.6884 8.409262 -3.460297      14.23937 
1 1 1 10  6  8  o 133.2112 3.720029 1516.540       84.62309 1526.953       140.8945 1510.663       105.8398 133.5596 6.177560 132.9178 4.662982 0.6417389      7.739874 
1 1 1 10  6  9  o 113.2852 4.193355 1097.292       81.12165 1046.941       135.2130 1125.608       101.3977 110.2719 7.220317 114.6958 5.177006 -4.423920      8.884502 
1 1 1 10  6  10 f 223.2841 5.174901 4267.398       197.3158 4257.716       279.0641 4277.078       279.0292 222.7527 7.336334 223.2613 7.318705 -0.5086060     10.36268 
1 1 1 10  6  11 f 228.9599 4.317772 4484.672       168.8189 4341.942       284.1404 4562.544       209.8791 224.8665 7.399568 230.8230 5.324614 -5.956543      9.116200 
1 1 1 10  6  12 o 202.7166 4.237978 3516.071       146.7067 3380.735       246.4374 3590.361       182.5855 198.3745 7.274763 204.7362 5.222394 -6.361710      8.955197 
1 1 1 10  6  13 o 56.50485 4.869344 275.4518       46.52607 338.2250       82.25681 245.9216       56.41806 62.19838 7.924470 53.15933 6.340012 9.039047       10.14855 
1 1 1 10  6  14 o 164.5735 3.963653 2317.674       111.3929 2415.402       187.1603 2264.067       138.6178 167.6891 6.535920 162.5536 4.993678 5.135529       8.225270 
1 1 1 10  6  15 o 84.81383 15.42129 653.8979       215.1241 766.5405       268.4407 451.7060       359.6490 91.17911 17.87951 71.32434 24.47371 19.85477       30.30907 
1 1 1 10  6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  6  17 o 235.2688 4.216464 4740.168       169.4005 4693.146       247.8000 4781.423       232.1062 233.6934 6.209448 235.9869 5.759663 -2.293503      8.469414 
1 1 1 10  6  18 o 122.5639 4.055495 1286.609       84.88062 1380.577       147.7004 1240.272       103.7182 126.4136 6.867821 120.2338 5.051568 6.179726       8.525568 
1 1 1 10  6  19 o 185.5673 4.651757 2955.354       147.4078 2888.208       185.1319 3071.659       243.6524 183.1564 5.919119 188.3871 7.573865 -5.230682      9.612461 
1 1 1 10  6  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  6  21 o 160.2643 4.098500 2206.102       112.1666 2138.124       174.2712 2254.180       146.5589 157.0734 6.497122 161.6770 5.308377 -4.603607      8.389962 
1 1 1 10  6  22 o 104.8537 4.415297 946.5176       79.05797 792.7109       118.8183 1068.704       105.9028 94.99202 7.382769 111.0017 5.605092 -16.00967      9.269430 
1 1 1 10  6  23 o 67.32384 5.726848 396.0644       65.21411 583.7643       110.9667 297.0331       80.60223 80.98524 8.133816 57.40623 8.477211 23.57901       11.74828 
1 1 1 10  6  24 o 36.00503 9.386619 120.9616       58.30532 200.9439       102.2862 82.46498       70.96298 45.51685 12.68552 31.14002 10.86051 14.37683       16.69949 
1 1 1 10  6  25 o 69.05534 6.087221 420.8375       71.04817 313.1886       115.5615 486.2547       90.08532 56.71963 12.28638 73.78778 7.242721 -17.06815      14.26226 
1 1 1 10  6  26 o 82.30518 5.394054 594.6017       75.39378 503.6763       126.1613 645.1115       94.03117 73.08494 10.40229 85.22359 6.510407 -12.13866      12.27164 
1 1 1 10  7  0  o 258.9153 5.023413 5728.937       222.1051 5211.988       320.2021 6208.299       308.3415 246.8162 7.597112 269.4364 6.701528 -22.62022      10.13048 
1 1 1 10  7  1  o 243.0078 5.685246 5048.072       235.9236 5117.560       332.7469 4977.829       334.5531 244.5354 7.968385 241.1629 8.123679 3.372528       11.37934 
1 1 1 10  7  2  o 429.0204 7.982515 15754.05       584.8164 15665.41       844.5181 15835.72       810.6328 427.2354 11.57550 429.6496 11.04861 -2.414246      16.00200 
1 1 1 10  7  3  o 306.5263 8.079798 8044.287       422.9315 8095.213       459.6586 7763.267       1079.775 307.4223 8.755845 297.9918 21.36080 9.430511       23.08568 
1 1 1 10  7  4  o 131.0586 6.011049 1469.047       134.5295 1409.442       455.9701 1474.730       140.7972 125.3236 22.11438 131.3017 6.279448 -5.978157      22.98864 
1 1 1 10  7  5  o 222.9668 4.776513 4249.906       181.8666 4339.096       263.2266 4168.443       251.5659 225.1503 6.846292 220.6919 6.675188 4.458328       9.561895 
1 1 1 10  7  6  o 199.4819 3.881953 3400.759       132.2378 3667.479       225.7925 3261.514       163.1445 206.9953 6.387738 195.3028 4.891726 11.69257       8.045631 
1 1 1 10  7  7  o 172.6925 4.060705 2549.295       119.7503 2592.931       203.5432 2526.196       148.0919 173.9789 6.851065 171.8543 5.046251 2.124557       8.508922 
1 1 1 10  7  8  o 174.5929 4.221095 2606.494       125.8501 2308.912       216.7936 2757.746       154.5586 164.0432 7.739028 179.5316 5.041390 -15.48843      9.236242 
1 1 1 10  7  9  o 160.8939 3.909833 2213.482       107.4236 2094.538       179.3383 2280.041       134.1538 156.2918 6.719471 163.2345 4.812706 -6.942703      8.265193 
1 1 1 10  7  10 f 194.2920 4.146672 3228.959       137.5804 3046.085       231.3679 3328.995       171.1214 188.3702 7.192648 197.1898 5.081806 -8.819534      8.806755 
1 1 1 10  7  11 o 246.6072 4.534204 5204.995       190.9452 5413.390       321.6815 5091.622       237.2663 250.9753 7.505733 243.7380 5.700474 7.237335       9.425042 
1 1 1 10  7  12 o 173.0983 3.902492 2563.335       115.3551 2752.530       193.6960 2459.351       143.5979 179.0876 6.333637 169.4492 4.962572 9.638443       8.046246 
1 1 1 10  7  13 o 130.9719 4.038907 1467.965       90.33244 1339.092       151.4646 1539.107       112.5368 124.5886 7.149117 134.0346 4.916721 -9.446068      8.676637 
1 1 1 10  7  14 o 103.3205 3.873370 913.5339       68.34036 918.4056       115.1786 910.8870       84.90011 103.1725 6.571630 103.1068 4.821908 0.6565857E-01  8.150897 
1 1 1 10  7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  7  16 o 113.9206 4.124529 1111.175       80.23771 1145.740       146.7551 1096.436       95.82924 115.0720 7.509467 113.0924 4.962066 1.979576       9.000789 
1 1 1 10  7  17 o 102.3623 4.210491 897.4785       73.59950 882.0875       136.3552 903.8060       87.42934 100.7636 7.989913 102.6573 4.987298 -1.893776      9.418696 
1 1 1 10  7  18 o 52.04147 6.633303 237.1321       57.60923 231.7676       114.4512 238.9525       66.67105 50.23910 13.17725 52.01617 7.741781 -1.777069      15.28316 
1 1 1 10  7  19 o 155.1437 4.307890 2065.875       114.1302 2279.114       203.1981 1967.602       137.9448 162.1543 7.338192 151.1973 5.342685 10.95709       9.077078 
1 1 1 10  7  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  7  21 o 36.38238 11.13782 119.6818       75.68384 87.93473       105.5098 153.3307       108.6243 34.78115 13.08034 41.23883 13.43774 -6.457676      18.75281 
1 1 1 10  7  22 o 51.66932 6.583064 236.0591       56.76533 297.3851       100.3630 207.2126       68.83318 56.69394 10.76017 47.73397 8.767482 8.959969       13.87984 
1 1 1 10  7  23 o 40.73336 9.052045 153.5391       61.33094 57.40711       116.0547 190.7896       72.24290 32.72810 13.28882 45.32319 9.631075 -12.59509      16.41189 
1 1 1 10  7  24 o 31.92348 9.962275 93.34431       60.22196 72.79309       124.2976 99.64825       68.84145 34.19966 13.79930 33.05995 10.69229 1.139709       17.45696 
1 1 1 10  7  25 o 27.01785 9.991288 56.35431       61.05360 22.82442       131.3300 65.59866       68.95827 31.32617 13.50515 28.79589 10.62445 2.530287       17.18336 
1 1 1 10  7  26 o 56.29084 7.481102 287.9972       70.13151 388.1498       141.8340 255.5864       80.68519 61.54432 13.83228 52.08494 9.418184 9.459381       16.73423 
1 1 1 10  8  0  f 110.6959 4.309997 1047.068       81.47240 1064.398       125.7427 1034.529       106.9612 111.3509 6.643077 109.8497 5.721770 1.501236       8.767504 
1 1 1 10  8  1  o 97.41167 4.640040 810.9876       77.18530 847.9698       111.1349 776.5264       107.2801 99.34196 6.588514 95.03970 6.652107 4.302254       9.362640 
1 1 1 10  8  2  o 298.3978 7.596789 7624.167       387.1039 7826.998       421.3588 6526.662       980.1403 302.2749 8.162969 272.7104 21.21367 29.56451       22.73002 
1 1 1 10  8  3  o 409.6767 10.34297 14413.34       723.5833 13933.44       2659.006 14451.72       751.9610 385.1778 41.05843 410.1301 10.73672 -24.95230      42.43904 
1 1 1 10  8  4  o 329.7606 6.484477 9308.196       365.1537 9411.436       527.8801 9213.470       505.6478 331.1371 9.335241 327.6897 9.036149 3.447357       12.99226 
1 1 1 10  8  5  o 253.7809 5.711729 5511.143       247.5304 5396.806       358.2010 5615.647       342.4514 250.8208 8.362988 255.9288 7.835701 -5.108063      11.46027 
1 1 1 10  8  6  o 203.0065 5.135935 3525.920       178.0457 3531.259       258.0029 3521.066       246.0140 202.9339 7.445056 202.6789 7.108031 0.2549896      10.29335 
1 1 1 10  8  7  o 154.2845 4.388737 2035.868       115.6282 2117.502       168.1835 1962.694       159.2296 157.2098 6.264721 151.3626 6.160317 5.847198       8.786139 
1 1 1 10  8  8  o 164.1196 4.011404 2303.471       112.4239 2311.273       194.0969 2299.532       137.9140 164.1396 6.924736 163.9131 4.927114 0.2265472      8.498731 
1 1 1 10  8  9  o 193.7114 4.125958 3209.828       136.4840 3351.126       235.8312 3138.668       167.3593 197.5897 6.989324 191.4572 5.118896 6.132462       8.663356 
1 1 1 10  8  10 o 171.2065 4.008697 2507.532       117.1994 2328.634       202.8697 2597.148       143.5839 164.6328 7.216037 174.1638 4.827763 -9.530960      8.682078 
1 1 1 10  8  11 o 122.4545 3.701982 1282.617       77.41247 1302.000       134.7167 1273.061       94.58862 122.9890 6.436735 121.9425 4.542363 1.046455       7.878110 
1 1 1 10  8  12 o 91.67776 4.102052 719.3324       64.21953 805.8333       110.3379 675.0182       78.97428 96.61041 6.730074 88.58911 5.243740 8.021301       8.531747 
1 1 1 10  8  13 o 106.8634 3.827475 977.2211       69.84630 914.8499       119.0222 1009.982       86.26117 102.9300 6.809972 108.5826 4.652144 -5.652641      8.247313 
1 1 1 10  8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  8  15 o 319.6064 5.684881 8767.557       310.2693 8181.859       538.2098 9059.089       379.7161 306.9372 10.26834 324.4928 6.852547 -17.55557      12.34488 
1 1 1 10  8  16 o 142.7504 4.079511 1745.005       99.44597 1721.023       173.1237 1756.815       121.4890 141.1506 7.206450 143.1313 4.970500 -1.980743      8.754359 
1 1 1 10  8  17 o 88.66105 4.843489 676.4796       73.05439 476.8014       138.5585 753.3594       85.97539 72.90350 11.51179 93.49083 5.408319 -20.58733      12.71893 
1 1 1 10  8  18 o 174.0236 4.374964 2598.933       130.0123 2366.093       230.8939 2707.032       157.3236 164.9996 8.194597 177.4221 5.192590 -12.42256      9.701259 
1 1 1 10  8  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  8  20 o 82.74488 4.919339 591.9824       69.19734 664.3317       130.4525 563.6553       81.62740 86.47952 8.963772 80.49223 5.981286 5.987282       10.77613 
1 1 1 10  8  21 o 86.87912 4.771682 652.9604       70.52157 722.9745       133.7504 626.0012       82.99561 90.07832 8.807761 84.80707 5.765108 5.271255       10.52678 
1 1 1 10  8  22 o 37.12236 11.20985 127.4938       77.03645 79.54856       107.6509 177.8178       110.2890 33.85765 13.09393 43.33224 13.47510 -9.474590      18.78908 
1 1 1 10  8  23 o 66.72715 5.902336 391.5335       66.56186 313.4140       136.9746 415.6835       76.15856 55.98543 14.28152 68.53079 6.588970 -12.54536      15.72820 
1 1 1 10  8  24 o 80.21047 5.442099 563.5352       74.10066 521.5424       136.3145 581.1491       88.28403 74.32375 11.07870 81.06177 6.430490 -6.738022      12.80972 
1 1 1 10  8  25 o 84.14462 5.430882 621.9612       77.62003 440.0884       148.7500 690.0137       90.99028 65.96340 13.65519 88.34396 6.068168 -22.38055      14.94279 
1 1 1 10  9  0  o 317.1301 5.178588 8600.135       280.4470 8441.138       474.8625 8685.294       347.5287 313.7267 8.863687 318.5705 6.388269 -4.843750      10.92588 
1 1 1 10  9  1  o 246.1337 5.589489 5182.390       234.9336 5385.376       320.3090 4946.047       345.6260 250.7216 7.481273 240.1690 8.427282 10.55261       11.26892 
1 1 1 10  9  2  o 235.8132 4.473055 4754.130       180.1251 4656.725       297.1070 4810.739       226.4973 233.1158 7.463442 237.1264 5.593467 -4.010620      9.326835 
1 1 1 10  9  3  f 282.2929 5.564083 6819.008       268.2227 6947.170       388.0154 6701.718       371.1919 284.6046 7.983717 279.5639 7.775269 5.040619       11.14426 
1 1 1 10  9  4  o 67.07260 4.195368 386.1475       47.81108 439.9902       74.51499 348.4692       62.33405 71.41449 6.170821 63.53709 5.809368 7.877403       8.475127 
1 1 1 10  9  5  o 65.85223 5.875518 374.3096       65.37817 362.4319       100.3920 383.0564       86.15073 64.23561 9.433107 66.36239 7.747989 -2.126778      12.20716 
1 1 1 10  9  6  o 74.90080 4.875532 482.1397       62.02082 485.7770       91.68625 479.0713       84.21114 74.89017 7.260512 74.44632 6.695687 0.4438477      9.876601 
1 1 1 10  9  7  o 119.0096 4.535491 1211.935       92.17395 1239.578       134.0583 1187.148       126.9401 120.0399 6.564702 117.4946 6.350304 2.545341       9.133547 
1 1 1 10  9  8  o 206.6414 4.259666 3653.453       150.3124 3711.670       256.8208 3623.119       185.3808 207.8775 7.234707 205.6681 5.278320 2.209320       8.955537 
1 1 1 10  9  9  o 168.9181 4.021315 2441.235       115.9968 2725.090       200.2908 2297.980       142.2878 178.1640 6.583232 163.7868 5.087294 14.37714       8.319826 
1 1 1 10  9  10 o 134.8122 3.692296 1554.650       85.00169 1684.119       147.4376 1490.193       104.0312 140.0826 6.163428 131.9192 4.618000 8.163422       7.701543 
1 1 1 10  9  11 o 279.0487 4.994747 6672.783       238.0102 6697.666       412.4782 6660.362       291.4196 278.5550 8.671378 278.5346 6.126856 0.2041626E-01  10.61749 
1 1 1 10  9  12 o 72.35814 5.342749 451.4301       65.54981 516.1650       95.41758 393.5752       90.20477 77.09113 7.336547 67.09525 8.032613 9.995880       10.87878 
1 1 1 10  9  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  9  14 o 337.9916 5.905245 9810.009       340.8362 10264.91       592.5975 9585.135       416.6480 343.8599 10.09198 333.5873 7.314050 10.27264       12.46368 
1 1 1 10  9  15 o 136.3042 4.163934 1591.199       96.92036 1269.827       165.1336 1760.079       119.7073 121.0022 8.037440 143.2715 4.892819 -22.26923      9.409576 
1 1 1 10  9  16 o 111.2458 4.427535 1061.021       84.10999 1007.361       156.0413 1082.997       99.85866 107.4663 8.574236 112.3038 5.207023 -4.837433      10.03148 
1 1 1 10  9  17 o 32.09868 8.834083 92.56718       49.94857 139.7989       109.2489 80.08511       56.16212 40.38327 13.49106 30.44444 9.637864 9.938828       16.58002 
1 1 1 10  9  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  9  19 o 66.11932 6.242454 381.8369       69.64915 311.3228       142.7681 403.8605       79.78793 57.12583 14.58475 67.82793 6.988608 -10.70210      16.17268 
1 1 1 10  9  20 o 118.0654 4.422118 1200.331       89.15689 1130.405       161.8371 1230.801       106.8300 113.0333 8.445365 119.3506 5.241635 -6.317261      9.939765 
1 1 1 10  9  21 o 47.84212 6.685726 203.4216       53.12883 219.4875       111.7007 198.7244       60.39821 47.81426 13.23186 46.95590 7.806468 0.8583603      15.36304 
1 1 1 10  9  22 o 91.25647 4.742619 722.7534       73.65197 648.3947       133.8825 755.0231       88.19719 84.41645 9.449500 92.99123 5.579864 -8.574783      10.97397 
1 1 1 10  9  23 o 65.00392 6.143413 373.5191       67.38637 322.0632       128.4510 393.0577       79.15290 56.88874 13.43665 66.32826 7.098402 -9.439518      15.19641 
1 1 1 10  9  24 o 33.07312 11.13152 99.96932       74.38168 -25.50854      97.07044 278.4312       115.7647 24.66964 11.07620 52.71591 12.95261 -28.04626      17.04266 
1 1 1 10  10 0  o 92.10055 5.335191 728.2573       83.55067 1370.136       337.6268 686.3853       86.23277 124.4319 16.27963 89.37047 5.679851 35.06142       17.24202 
1 1 1 10  10 1  o 269.1909 4.710884 6198.346       216.5533 6128.856       370.9437 6234.273       266.7225 267.2021 8.129544 269.8461 5.788175 -2.644012      9.979602 
1 1 1 10  10 2  o 92.24458 3.992509 727.5389       62.89102 762.4345       101.8641 706.0435       79.94804 94.11599 6.375665 90.68143 5.184345 3.434563       8.217453 
1 1 1 10  10 3  o 197.7170 4.424064 3343.946       149.3714 3335.740       246.8372 3348.688       187.6247 197.1581 7.331520 197.7523 5.556054 -0.5941925     9.198963 
1 1 1 10  10 4  o 148.7873 4.079804 1893.377       103.6590 1933.422       157.1582 1862.539       137.9121 150.1935 6.127510 147.4709 5.476387 2.722549       8.218102 
1 1 1 10  10 5  o 141.0146 4.345778 1701.322       104.6486 1770.595       159.1684 1648.578       138.8871 143.6769 6.487360 138.6955 5.864049 4.981461       8.744879 
1 1 1 10  10 6  o 140.3921 4.261069 1686.416       102.1558 1524.276       152.5260 1818.317       137.5693 133.0971 6.732672 145.6750 5.530118 -12.57791      8.712696 
1 1 1 10  10 7  o 89.18696 4.897382 683.2382       74.30214 692.5607       108.8292 675.0985       101.6917 89.49150 7.181843 88.40955 6.787534 1.081955       9.881775 
1 1 1 10  10 8  o 296.5508 6.373745 7549.546       322.7719 7413.716       466.5723 7674.215       446.9939 292.9703 9.325958 298.2691 8.775893 -5.298859      12.80585 
1 1 1 10  10 9  o 100.7953 4.043140 869.4909       69.59227 832.2471       116.5478 890.1279       86.75643 98.14117 7.000165 101.9228 4.984580 -3.781593      8.593507 
1 1 1 10  10 10 o 79.18954 4.362567 538.5963       58.76698 575.1276       100.3046 519.5022       72.51653 81.42738 7.290720 77.63189 5.505809 3.795486       9.136111 
1 1 1 10  10 11 o 83.94106 23.83540 676.0737       357.6236 0.000000       0.000000 676.0737       357.6236 ?        ?        83.94106 23.83540 0.000000       23.83540 
1 1 1 10  10 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10 13 o 160.0461 4.142196 2193.438       113.2082 2094.590       198.0531 2241.408       137.9698 155.8953 7.439551 161.6799 4.997192 -5.784592      8.962078 
1 1 1 10  10 14 o 70.62452 5.319585 430.4532       63.68460 553.9556       113.8279 374.1800       76.83554 79.59126 8.506685 65.55070 6.971063 14.04055       10.99815 
1 1 1 10  10 15 o 105.6341 4.334329 956.6056       78.18583 1065.673       149.2084 915.3223       91.79803 110.6955 7.946224 103.1046 5.230920 7.590820       9.513412 
1 1 1 10  10 16 o 185.1440 4.417301 2941.945       139.6589 3402.238       248.8972 2730.429       168.7230 198.1992 7.353875 178.0996 5.547654 20.09956       9.211728 
1 1 1 10  10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10 18 o 74.27620 5.158660 477.8924       65.02595 620.5010       127.0012 427.2238       75.70143 83.55469 9.045322 69.92850 6.410762 13.62618       11.08674 
1 1 1 10  10 19 o 56.55677 6.459729 281.4438       61.26876 318.5913       116.5510 267.2583       72.02318 58.32878 12.09797 54.68309 7.945393 3.645691       14.47377 
1 1 1 10  10 20 o 45.00549 7.435390 181.9960       55.14849 76.93040       112.1945 215.4690       63.32699 34.09862 13.31692 48.93374 7.843347 -14.83512      15.45504 
1 1 1 10  10 21 o 62.35151 5.662094 340.9542       59.63000 191.8607       114.4078 396.5625       69.87090 44.52712 13.70434 67.12386 6.164497 -22.59673      15.02697 
1 1 1 10  10 22 o 95.63814 4.548690 792.3801       74.28812 651.2047       132.6313 856.9167       89.67466 84.33818 9.367411 99.06082 5.320580 -14.72264      10.77297 
1 1 1 10  10 23 o 63.52543 6.417881 358.8763       68.66642 389.4768       129.5952 346.9322       80.96600 63.01514 12.48463 61.85584 7.841186 1.159294       14.74280 
1 1 1 10  10 24 o 122.9788 4.428356 1314.105       92.99825 1316.281       163.3090 1313.060       113.1341 120.5377 7.979005 122.4070 5.412346 -1.869286      9.641474 
1 1 1 10  11 0  o 236.9876 4.560768 4805.656       184.5719 4717.858       310.2885 4853.733       229.6115 234.3397 7.753858 238.0343 5.648748 -3.694550      9.593262 
1 1 1 10  11 1  o 241.0425 4.463623 4971.461       183.7313 5206.655       311.3393 4845.787       227.5855 246.2201 7.404718 237.8307 5.603698 8.389374       9.286079 
1 1 1 10  11 2  o 271.6211 5.598017 6321.337       259.6568 6126.970       375.5647 6499.322       359.3894 266.8727 8.240976 275.0042 7.652865 -8.131470      11.24633 
1 1 1 10  11 3  o 90.67221 4.204057 703.4136       65.09457 662.7346       100.9695 732.3465       85.15332 87.60667 6.802523 92.29723 5.426577 -4.690559      8.701842 
1 1 1 10  11 4  f 265.7974 4.912255 6049.894       222.9634 5756.426       379.0862 6205.108       275.6907 258.4930 8.587906 268.9913 6.001808 -10.49829      10.47730 
1 1 1 10  11 5  o 18.68136 7.390081 16.25251       34.94308 -16.33094      58.88160 33.96605       43.41439 20.08249 8.842895 22.65132 8.415565 -2.568832      12.20731 
1 1 1 10  11 6  o 291.9131 4.850470 7299.206       241.7906 7048.339       415.0879 7428.044       297.4685 285.9034 8.501957 294.2469 5.920074 -8.343567      10.36005 
1 1 1 10  11 7  o 189.0433 4.629256 3060.862       149.4426 3188.997       224.5379 2958.967       200.2320 192.6091 6.826702 185.6221 6.316867 6.986969       9.300897 
1 1 1 10  11 8  o 206.2005 5.144909 3645.033       181.1629 3556.706       267.2395 3720.140       246.4300 203.1804 7.702240 207.9719 6.938842 -4.791534      10.36687 
1 1 1 10  11 9  o 144.7555 3.978975 1793.661       98.35769 1887.570       169.7542 1746.201       120.6792 148.1521 6.709818 142.7288 4.951296 5.423294       8.338885 
1 1 1 10  11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  11 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  11 12 o 151.7191 4.169388 1971.497       108.0226 1912.935       192.9092 1998.247       130.3808 148.7229 7.621396 152.6414 5.001951 -3.918518      9.116204 
1 1 1 10  11 13 f 52.37460 6.251119 239.2421       54.80415 249.4256       116.0117 236.3167       62.17971 52.20429 13.04914 51.86876 7.215493 0.3355293      14.91118 
1 1 1 10  11 14 o 130.1933 4.344251 1453.487       96.58408 1396.777       175.1882 1478.251       115.7671 126.7004 8.140098 131.1813 5.167866 -4.480965      9.641994 
1 1 1 10  11 15 o 159.9238 4.280124 2194.923       116.8884 2157.440       210.2407 2211.693       140.6262 157.6183 7.811028 160.3539 5.135525 -2.735596      9.348036 
1 1 1 10  11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  11 17 o 138.6373 4.353126 1652.833       103.0583 1605.515       185.5605 1673.938       123.9292 135.2495 8.071084 139.3059 5.209575 -4.056396      9.606356 
1 1 1 10  11 18 o 62.24336 5.556756 337.8383       58.44205 454.9032       118.9906 300.6213       67.09180 70.79306 10.13179 58.35876 6.863396 12.43430       12.23762 
1 1 1 10  11 19 o 28.29741 9.196962 69.67204       50.89416 -55.56572      123.6232 95.22992       55.84634 26.98886 12.27049 32.32736 9.492603 -5.338501      15.51368 
1 1 1 10  11 20 o 91.96423 4.544029 731.1324       71.36118 687.8149       128.5969 750.4069       85.78066 87.38699 8.734507 92.77168 5.438435 -5.384689      10.28923 
1 1 1 10  11 21 o 93.83517 4.599808 763.0438       73.70675 891.2489       145.6041 718.8718       85.46619 99.24194 8.678922 90.61704 5.549837 8.624901       10.30167 
1 1 1 10  11 22 o 65.43602 5.456501 376.4362       60.41635 383.2035       113.4078 373.7545       71.39034 63.49876 10.84825 64.79912 6.541139 -1.300354      12.66771 
1 1 1 10  11 23 o 37.25637 9.326556 132.4058       59.19992 229.5381       120.7675 101.6830       67.92007 47.05135 13.99672 32.90671 10.61818 14.14464       17.56855 
1 1 1 10  12 0  o 231.0065 5.105299 4571.390       201.3944 4723.007       291.4489 4432.833       278.6138 234.4087 7.280929 227.1137 7.183852 7.294983       10.22837 
1 1 1 10  12 1  o 54.03604 5.128411 252.3977       46.75560 138.4144       72.09189 335.1491       61.42619 39.30382 10.52917 62.24158 5.847809 -22.93776      12.04410 
1 1 1 10  12 2  o 118.1852 4.008555 1195.221       80.90079 1241.003       130.9834 1166.984       102.8671 120.0548 6.412229 116.6968 5.161968 3.357948       8.231804 
1 1 1 10  12 3  o 49.95729 5.394989 216.4272       45.29406 198.0770       71.01159 229.0134       58.81059 47.10603 9.157593 51.16525 6.907552 -4.059223      11.47065 
1 1 1 10  12 4  o 97.25359 4.249837 809.7103       70.57970 766.7908       111.2634 838.6103       91.30058 94.17950 6.967667 98.74343 5.435495 -4.563927      8.837024 
1 1 1 10  12 5  o 62.45667 4.981806 336.4196       52.69136 184.4650       84.16866 434.3503       67.56983 45.18461 11.00944 70.93484 5.624273 -25.75023      12.36286 
1 1 1 10  12 6  o 107.5287 4.116912 989.8718       75.59582 958.6127       122.9215 1008.886       95.86895 105.3481 6.870416 108.4727 5.175540 -3.124535      8.601677 
1 1 1 10  12 7  o 148.6250 12.51302 1946.954       314.6274 2460.845       612.0302 1762.367       366.8067 161.8640 22.77186 140.1472 15.59104 21.71678       27.59779 
1 1 1 10  12 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  12 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  12 10 o 74.53925 5.014193 478.6358       63.45343 559.8174       102.2921 427.8594       80.89918 80.22305 7.555932 70.17410 6.837828 10.04894       10.19058 
1 1 1 10  12 11 o 114.3611 4.361687 1120.644       85.17946 1134.718       139.8570 1112.345       107.3960 114.5112 7.188579 113.8152 5.525684 0.6959686      9.066911 
1 1 1 10  12 12 o 191.9311 4.435728 3158.467       145.3825 3357.908       255.8530 3063.364       176.6769 197.1042 7.601383 188.8126 5.479577 8.291641       9.370527 
1 1 1 10  12 13 o 181.8062 4.387030 2835.904       136.2012 2862.652       241.4042 2823.414       164.9654 181.7230 7.779166 181.1968 5.331389 0.5261841      9.430755 
1 1 1 10  12 14 o 241.0374 4.926681 4997.354       202.7873 4635.614       353.8555 5174.254       247.4525 230.1824 9.002269 244.8689 5.917745 -14.68658      10.77314 
1 1 1 10  12 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  12 16 o 136.7321 4.448592 1608.888       103.8711 1611.854       197.1813 1607.749       122.2011 135.1757 8.586657 136.4759 5.243454 -1.300156      10.06104 
1 1 1 10  12 17 o 64.85240 5.688622 367.0970       62.36274 422.7073       120.6969 346.8439       72.83892 67.87683 10.77278 62.69549 6.918631 5.181343       12.80313 
1 1 1 10  12 18 o 123.4732 4.377355 1314.727       92.29677 1508.556       176.5312 1241.810       108.2744 130.5656 7.955498 119.7261 5.295845 10.83953       9.556983 
1 1 1 10  12 19 o 126.9886 4.254597 1392.350       92.26250 1234.892       162.9733 1466.615       111.9252 117.6076 8.165425 130.0406 5.040192 -12.43297      9.595713 
1 1 1 10  12 20 o 69.00137 5.282575 416.9484       61.77230 384.5418       113.4837 430.5930       73.63725 63.81981 10.79816 69.78754 6.245009 -5.967728      12.47399 
1 1 1 10  12 21 o 28.92721 8.609820 77.03759       45.68768 18.33112       96.86553 93.83434       51.81300 27.46720 11.71438 31.69460 9.096862 -4.227402      14.83171 
1 1 1 10  12 22 o 45.30607 6.827449 186.1530       51.18233 178.0464       102.9261 188.8161       58.99339 42.02594 13.00910 45.19728 7.932803 -3.171333      15.23700 
1 1 1 10  13 0  o 188.0437 4.222599 3027.495       135.5940 3005.856       226.9990 3039.499       169.0713 186.8997 7.112353 188.2738 5.258696 -1.374054      8.845306 
1 1 1 10  13 1  o 331.6872 5.625762 9439.893       318.6486 9313.963       549.1821 9503.805       391.2405 327.8289 9.809959 332.3994 6.892578 -4.570465      11.98928 
1 1 1 10  13 2  o 118.4568 4.034335 1201.215       81.60822 1123.677       135.7037 1245.142       102.1418 114.0629 7.000840 120.5231 4.962852 -6.460159      8.581472 
1 1 1 10  13 3  o 267.9194 5.136904 6155.288       235.0214 6385.073       402.1558 6036.106       289.6268 271.8002 8.664481 264.9989 6.400188 6.801300       10.77198 
1 1 1 10  13 4  o 18.24110 7.640467 4.757589       39.99048 48.00658       63.51189 -23.65270      51.47601 27.09336 10.15641 17.99510 8.073592 9.098253       12.97442 
1 1 1 10  13 5  o 180.9502 14.29520 2909.530       438.1270 2683.053       767.2524 3019.112       533.6981 164.8991 28.26406 182.7156 17.31130 -17.81654      33.14420 
1 1 1 10  13 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  13 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  13 8  o 137.2281 4.491829 1613.814       105.2612 1577.216       169.5681 1636.758       134.2616 135.0476 7.380796 138.0464 5.695407 -2.998856      9.322758 
1 1 1 10  13 9  o 273.8374 5.206042 6435.586       243.4459 6313.141       413.3159 6500.632       301.2466 269.8629 8.968854 274.8520 6.418319 -4.989075      11.02883 
1 1 1 10  13 10 o 94.84480 5.236107 774.8317       84.47700 789.8766       132.4960 764.5267       109.6558 95.16160 8.234564 93.91179 6.885696 1.249809       10.73410 
1 1 1 10  13 11 o 173.8596 4.038178 2591.154       119.8909 2759.684       233.2352 2530.630       139.7704 178.5111 7.651154 171.6833 4.767442 6.827850       9.014914 
1 1 1 10  13 12 f 51.38577 6.904033 232.4757       59.04987 221.1199       115.0117 236.5407       68.81190 48.82782 13.39150 51.56524 8.079989 -2.737415      15.64029 
1 1 1 10  13 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  13 14 f 16.44602 7.783003 -65.91541      57.98531 -80.14386      129.4937 -62.34693      64.85027 26.86327 12.34285 17.97544 8.419888 8.887835       14.94123 
1 1 1 10  13 15 o 118.9599 4.427685 1218.495       89.94547 1177.637       163.3710 1236.266       107.7455 115.4502 8.342806 119.6146 5.274885 -4.164413      9.870502 
1 1 1 10  13 16 o 51.38690 6.577638 233.6978       56.39505 159.8367       107.6885 261.6085       66.19830 41.57206 13.36551 54.19269 7.342314 -12.62063      15.24948 
1 1 1 10  13 17 o 33.22240 9.047666 101.7803       52.71665 182.6403       114.3907 79.97655       59.40041 43.77137 13.74174 30.21449 9.941514 13.55687       16.96081 
1 1 1 10  13 18 o 76.61022 4.957379 511.1828       64.50700 417.6752       118.0397 550.9996       77.02618 66.83714 10.70327 79.29394 5.727008 -12.45679      12.13914 
1 1 1 10  13 19 o 80.62351 4.766029 566.2416       65.32603 504.3534       121.3015 591.5233       77.52928 73.71661 9.885048 82.11911 5.561446 -8.402504      11.34213 
1 1 1 10  13 20 o 76.84146 5.278511 517.7919       68.84415 474.3512       137.2563 532.3941       79.57804 69.95881 11.91626 77.60564 6.052648 -7.646835      13.36532 
1 1 1 10  13 21 o 54.67759 6.332198 267.8243       58.03004 258.8100       108.0765 271.4758       68.78663 50.58493 12.56740 54.51348 7.595580 -3.928558      14.68442 
1 1 1 10  14 0  o 95.00951 14.21907 813.8124       223.6040 879.5724       422.8167 788.2802       263.4606 94.45024 25.58245 92.35661 17.34182 2.093628       30.90632 
1 1 1 10  14 1  o 103.5538 15.61262 973.5864       267.5085 841.3962       485.4594 1031.229       320.5700 91.82111 28.22466 105.4552 18.47468 -13.63409      33.73344 
1 1 1 10  14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  14 5  o 47.90301 6.987233 201.7351       55.47468 143.2139       94.08013 232.9278       68.68600 40.33550 12.42954 51.31634 8.107386 -10.98084      14.83992 
1 1 1 10  14 6  o 34.53286 8.933296 107.2299       53.07844 147.1335       91.10308 86.72421       65.30762 40.66509 12.17038 32.03315 10.41854 8.631939       16.02074 
1 1 1 10  14 7  o 185.1302 4.402999 2937.727       139.1964 3010.648       236.6062 2899.131       172.1364 186.7500 7.419315 183.7135 5.486933 3.036469       9.227820 
1 1 1 10  14 8  o 28.63503 9.317659 69.14003       52.23302 -25.83864      92.21780 114.0044       63.38005 24.89778 11.00949 35.63981 10.00439 -10.74203      14.87604 
1 1 1 10  14 9  o 50.53807 8.401888 227.5681       69.96407 400.3199       113.8358 122.7001       88.69292 66.86659 10.30005 37.59666 12.13399 29.26994       15.91618 
1 1 1 10  14 10 o 70.35877 6.315701 430.9438       75.07438 444.7283       123.4127 422.8463       94.58878 70.31142 10.60855 69.24996 8.154989 1.061462       13.38078 
1 1 1 10  14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  14 13 o 125.1218 4.170565 1346.434       89.11069 1592.017       181.4583 1268.387       102.2951 134.5746 7.931144 121.2650 4.939891 13.30959       9.343745 
1 1 1 10  14 14 o 74.75250 5.236966 485.5365       66.42871 660.7587       136.6875 431.3544       76.00848 85.71458 9.498064 70.12514 6.418457 15.58944       11.46341 
1 1 1 10  14 15 o 103.7292 4.241472 927.3660       75.13105 979.4575       139.2032 905.9547       89.24590 105.1754 7.806251 102.3096 5.108223 2.865776       9.329067 
1 1 1 10  14 16 o 35.27170 8.582781 115.1622       51.20488 257.7649       96.54663 59.35112       60.39949 52.15104 11.17711 27.52175 9.975290 24.62930       14.98112 
1 1 1 10  14 17 o 108.7042 4.149640 1021.177       77.02975 733.5308       145.9066 1132.331       90.69980 89.34238 9.720318 114.2936 4.647107 -24.95119      10.77405 
1 1 1 10  14 18 o 23.21334 8.761850 37.96952       47.43604 -28.80652      113.5890 52.07523       52.20635 26.57216 11.95168 25.61425 9.275581 0.9579067      15.12875 
1 1 1 10  14 19 o 48.93563 6.542548 215.2480       53.30434 50.10302       103.2183 275.3088       62.24718 30.27155 12.43909 55.36422 6.721840 -25.09267      14.13910 
1 1 1 10  14 20 o 30.90854 9.090133 90.11333       51.17582 26.32786       99.33222 113.1616       59.71014 27.95952 11.89194 34.34218 9.735187 -6.382666      15.36854 
1 1 1 10  15 0  o 83.45336 5.169983 599.9533       73.31476 442.5053       124.5983 683.3344       90.67286 70.48029 10.68769 88.95499 6.004189 -18.47469      12.25875 
1 1 1 10  15 1  o 133.7800 4.523325 1534.227       103.3358 1547.740       174.6180 1526.943       128.1926 133.6533 7.683136 133.3160 5.630910 0.3372803      9.525635 
1 1 1 10  15 2  o 63.64555 6.683212 352.6714       71.55203 318.4134       99.63066 389.1612       102.8246 59.68068 10.13863 66.32249 9.337437 -6.641819      13.78331 
1 1 1 10  15 3  o 249.7063 4.993067 5350.745       212.9113 5306.650       365.2744 5373.436       262.0260 247.4390 8.644686 249.9145 6.139755 -2.475525      10.60317 
1 1 1 10  15 4  o 31.42801 9.404515 86.92670       54.40273 63.56159       86.50735 102.2129       69.97114 31.25165 11.82352 34.29471 10.74434 -3.043066      15.97612 
1 1 1 10  15 5  o 98.08749 4.677653 825.6091       78.35082 863.4528       140.8825 808.6628       94.27517 99.42915 8.375382 96.78925 5.729360 2.639908       10.14754 
1 1 1 10  15 6  o 88.53501 4.806897 675.1049       72.40207 599.2594       123.8852 714.4486       89.22609 82.49970 8.936418 90.91502 5.777159 -8.415314      10.64120 
1 1 1 10  15 7  o 187.2275 4.472922 3009.923       143.0089 2886.956       244.1143 3074.176       176.4592 182.3056 7.841356 188.9532 5.468753 -6.647522      9.560027 
1 1 1 10  15 8  o 91.11072 5.165107 717.0627       80.03141 686.9807       135.8351 733.0575       99.04862 88.08629 9.164465 91.85563 6.353562 -3.769341      11.15146 
1 1 1 10  15 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  15 10 o 75.43088 11.53544 520.3212       143.8664 0.000000       0.000000 520.3212       143.8664 ?        ?        75.43088 11.53544 0.000000       11.53544 
1 1 1 10  15 11 o 59.77192 6.750650 314.6682       67.69669 365.8218       111.3543 284.6784       85.26211 63.18274 10.70273 56.07781 9.224367 7.104927       14.12931 
1 1 1 10  15 12 o 78.00616 4.756956 527.0001       63.06371 714.5187       117.3431 450.8421       74.78133 89.91802 7.716801 71.77345 6.161096 18.14457       9.874620 
1 1 1 10  15 13 o 65.08409 5.544784 370.0096       61.03808 331.1507       124.7929 382.2294       69.98021 58.85639 12.78238 65.94863 6.290203 -7.092243      14.24626 
1 1 1 10  15 14 o 44.88101 7.115414 181.0379       52.71441 36.67488       116.9483 217.8477       59.05381 31.29343 13.08319 49.28481 7.231809 -17.99138      14.94888 
1 1 1 10  15 15 o 61.57207 5.529437 332.8787       57.51905 122.3160       126.1027 388.1959       64.63441 38.12544 14.30740 66.45504 5.752256 -28.32960      15.42044 
1 1 1 10  15 16 o 14.11168 6.716634 -53.55352      44.41336 -24.24807      87.93517 -63.58926      51.45922 23.59161 10.57063 15.06233 7.185802 8.529283       12.78178 
1 1 1 10  15 17 o 96.12216 4.376180 801.1871       71.83244 876.5011       135.9808 772.0357       84.59970 98.40105 8.166164 93.88393 5.298510 4.517120       9.734498 
1 1 1 10  15 18 o 22.15203 8.368403 34.86473       43.29491 -5.455717      94.18963 45.66594       48.75023 25.33049 11.16741 24.26017 8.935999 1.070326       14.30256 
1 1 1 10  16 0  o 69.20146 5.719983 414.8469       66.98865 236.9911       116.9549 501.6847       81.72199 50.69340 13.33226 76.02753 6.352779 -25.33413      14.76845 
1 1 1 10  16 1  o 176.8686 7.887493 2712.663       238.2273 0.000000       0.000000 2712.663       238.2273 ?        ?        176.8686 7.887493 0.000000       7.887493 
1 1 1 10  16 2  o 29.32336 9.913035 70.63940       58.99150 191.0748       102.7402 11.40521       72.05260 45.63991 12.71145 24.50558 10.25938 21.13433       16.33511 
1 1 1 10  16 3  o 100.3695 5.656669 870.6268       96.55852 789.2563       129.5903 972.1865       144.7771 94.94904 8.068909 105.4363 8.102965 -10.48723      11.43527 
1 1 1 10  16 4  o 103.7681 5.466371 930.3408       96.52283 837.1885       133.5878 1032.095       139.6197 97.73115 8.076836 108.7418 7.565915 -11.01067      11.06699 
1 1 1 10  16 5  o 52.28128 7.313813 241.9031       63.50932 309.2826       113.1645 210.9243       76.73248 57.89119 11.84625 48.15644 9.666825 9.734753       15.28990 
1 1 1 10  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  16 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  16 8  o 45.80421 7.661273 188.0685       57.80854 21.38745       96.89781 280.1780       72.03161 28.42087 11.89789 56.10876 7.722439 -27.68789      14.18435 
1 1 1 10  16 9  o 80.66996 5.309062 565.1318       72.72740 573.7201       117.2256 559.7576       92.73125 80.17553 8.701769 79.83626 6.868677 0.3392715      11.08600 
1 1 1 10  16 10 o 115.0533 4.655653 1142.437       91.47060 1116.458       160.2270 1154.997       111.4092 112.0993 8.431866 115.3919 5.653846 -3.292618      10.15196 
1 1 1 10  16 11 o 38.90664 9.255692 140.2933       60.60029 195.2898       113.4131 118.3165       71.69304 45.11896 13.59618 35.82110 10.81346 9.297859       17.37202 
1 1 1 10  16 12 o 96.05071 4.453146 797.1379       73.04147 700.2775       144.2910 830.5096       84.69453 87.60670 9.813540 97.73735 5.092113 -10.13065      11.05600 
1 1 1 10  16 13 o 72.47389 5.134708 458.6891       63.13625 327.7057       129.7747 499.3047       72.26499 57.53378 13.44989 75.45638 5.649281 -17.92260      14.58814 
1 1 1 10  16 14 o 63.24419 5.697222 352.5655       60.86934 526.9691       127.3849 300.9614       69.29190 75.12559 10.19270 57.86176 7.166047 17.26382       12.45967 
1 1 1 10  16 15 o 50.64578 6.630292 230.2199       55.96561 233.6825       121.3997 229.2854       63.06704 47.82381 13.98233 50.17256 7.598840 -2.348755      15.91376 
1 1 1 10  16 16 o 107.3295 4.057141 998.1310       74.36032 992.8931       161.5204 999.5397       83.76519 103.6315 9.223541 107.1928 4.576105 -3.561333      10.29633 
1 1 1 10  16 17 o 25.97933 8.905184 58.95508       47.61247 75.56937       117.1255 55.66608       52.11254 32.92554 13.35661 25.86140 9.280031 7.064144       16.26401 
1 1 1 10  17 0  o 129.2696 4.333714 1436.438       95.66623 1433.456       167.3250 1437.886       116.6042 128.0009 7.690693 129.1232 5.288200 -1.122360      9.333371 
1 1 1 10  17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  17 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  17 4  o 68.16566 5.935057 405.4884       68.39696 285.2346       107.6520 486.8918       88.57156 55.29019 11.76324 74.43105 7.052633 -19.14085      13.71545 
1 1 1 10  17 5  o 30.67641 11.37552 69.53255       79.25070 30.28509       127.6030 94.17805       101.1169 32.36249 13.60642 34.88983 12.86689 -2.527340      18.72676 
1 1 1 10  17 6  o 29.14694 9.738255 72.57917       56.92302 144.8770       105.8117 43.13414       67.52697 40.02081 13.27344 26.61875 10.34919 13.40206       16.83122 
1 1 1 10  17 7  o 58.34939 6.320695 299.8179       61.97322 531.1069       116.7177 209.0107       73.13402 76.81891 9.072597 47.70691 9.311314 29.11200       13.00048 
1 1 1 10  17 8  o 26.60683 9.473041 56.15358       54.20184 -52.76255      128.8013 79.59187       59.74990 27.65439 12.55446 30.19836 9.972384 -2.543970      16.03318 
1 1 1 10  17 9  o 44.65138 8.319311 182.1441       61.10034 -5.724191      113.8029 258.2313       72.42394 28.28711 12.37830 53.41176 8.202674 -25.12465      14.84945 
1 1 1 10  17 10 o 33.22915 8.713324 102.4784       50.05132 113.2063       93.15335 98.12441       59.34534 35.72844 12.44423 32.62352 9.836066 3.104923       15.86213 
1 1 1 10  17 11 o 31.18594 8.754768 90.25270       48.53386 62.95692       92.77286 100.5380       56.94842 30.68830 12.07265 32.83433 9.569961 -2.146023      15.40562 
1 1 1 10  17 12 o 24.76525 9.045141 47.64787       49.79773 -76.01344      111.2333 78.64513       55.69030 23.98633 11.16649 29.52081 9.621826 -5.534481      14.74009 
1 1 1 10  17 13 o 21.94650 8.939445 21.62843       52.72679 11.25356       110.8154 24.66459       59.94750 28.42522 12.32964 23.30296 9.516471 5.122265       15.57509 
1 1 1 10  17 14 o 42.83532 7.596687 168.9992       53.53371 295.9264       100.6024 118.8605       63.22917 55.14452 11.06798 35.18801 10.03295 19.95650       14.93855 
1 1 1 10  17 15 o 21.57497 8.587811 26.39830       47.45866 122.8570       93.58355 -6.997201      55.06463 35.82363 12.47319 19.47626 8.564269 16.34736       15.13034 
1 1 1 10  18 0  o 33.07174 9.063164 100.2235       52.70372 134.0064       81.20334 75.63479       69.27776 38.11135 11.50915 30.44125 10.72345 7.670101       15.73063 
1 1 1 10  18 1  o 71.77171 5.055308 447.5263       61.56289 393.4486       102.8201 477.7467       76.86324 65.87612 9.407216 73.86980 6.149128 -7.993683      11.23866 
1 1 1 10  18 2  o 83.73417 4.836681 607.8045       68.86506 572.2850       112.4590 629.1145       87.10687 80.05957 8.348625 84.83858 6.052230 -4.779015      10.31160 
1 1 1 10  18 3  o 109.9949 4.505764 1044.224       84.63364 1004.168       148.6073 1063.453       102.9628 106.2478 8.255472 110.7303 5.445173 -4.482552      9.889526 
1 1 1 10  18 4  f 127.2335 4.458726 1397.531       96.87558 1345.805       169.4974 1422.626       118.0589 123.0724 8.110385 128.0439 5.399305 -4.971489      9.743246 
1 1 1 10  18 5  o 82.13790 8.811776 607.9001       121.6665 0.000000       0.000000 607.9001       121.6665 ?        ?        82.13790 8.811776 0.000000       8.811776 
1 1 1 10  18 6  o 129.3954 5.777343 1459.156       127.6582 1556.536       175.2923 1349.185       186.2802 132.3483 7.790443 122.4068 8.974224 9.941498       11.88393 
1 1 1 10  18 7  o 90.14846 5.106994 708.1892       78.29559 747.9713       155.6940 694.7233       90.58264 89.96964 10.32055 88.94529 5.998804 1.024353       11.93731 
1 1 1 10  18 8  o 63.16717 6.243408 353.4599       66.46499 376.7194       121.4672 343.5195       79.40746 62.55651 11.80340 61.69304 7.705458 0.8634758      14.09589 
1 1 1 10  18 9  o 26.47780 9.626778 55.86839       56.31595 178.1642       132.0464 28.67835       62.26237 42.59809 14.81722 24.06494 9.746655 18.53315       17.73548 
1 1 1 10  18 10 o 46.26175 7.634105 195.9063       58.20513 90.51292       116.7576 230.7597       67.14304 34.48006 13.55022 50.08262 8.129516 -15.60256      15.80182 
1 1 1 10  18 11 o 79.11361 5.246997 549.4821       70.48430 564.2042       133.2320 543.7603       83.05946 77.25677 10.35977 78.24467 6.268951 -0.9879074     12.10886 
1 1 1 10  18 12 o 73.54669 5.514923 477.6623       68.75921 420.4972       133.6955 498.2201       80.17519 64.77496 12.53988 74.72914 6.342628 -9.954178      14.05267 
1 1 1 10  18 13 o 39.90271 8.604859 150.9871       56.90936 215.5215       99.85749 119.9443       69.25722 45.86225 12.43677 35.08170 10.63669 10.78056       16.36498 
1 1 1 10  19 0  o 24.41958 9.263644 40.82909       53.19382 76.74360       92.15179 22.88200       65.14270 32.07532 12.18682 24.06840 9.885085 8.006922       15.69183 
1 1 1 10  19 1  o 81.41758 4.894332 576.8929       67.73163 385.5013       122.1361 661.8931       81.39406 63.63472 11.66957 87.01664 5.505963 -23.38192      12.90328 
1 1 1 10  19 2  o 46.80190 8.462055 201.3580       65.14095 22.61494       125.5702 267.1714       76.19545 30.97502 13.27716 54.04199 8.540258 -23.06697      15.78667 
1 1 1 10  19 3  o 102.8696 5.043768 920.1166       88.60215 882.4267       159.6806 936.8826       106.5011 98.03455 9.664010 103.2241 6.068560 -5.189583      11.41142 
1 1 1 10  19 4  f 74.41229 6.275184 490.0026       78.99540 445.0653       141.6808 510.2742       95.15943 67.37493 12.78196 75.39687 7.490019 -8.021935      14.81482 
1 1 1 10  19 5  o 57.80896 7.223015 301.2498       69.74814 299.6069       116.1424 302.1766       87.22934 54.91402 12.64636 56.96393 9.287329 -2.049908      15.69028 
1 1 1 10  19 6  o 93.71685 5.201009 769.1640       82.90833 599.5460       159.4866 831.9755       97.05274 78.34487 12.32833 97.14690 5.877958 -18.80202      13.65789 
1 1 1 10  19 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  19 8  o 75.90617 5.593049 508.3234       71.98756 527.7007       131.1434 499.9667       86.12260 74.40372 10.62329 74.69537 6.827323 -0.2916412     12.62801 
1 1 1 10  19 9  o 40.54024 9.217233 156.9978       62.36601 114.1369       114.5195 175.0688       74.36005 35.86612 13.59551 42.36406 10.36393 -6.497936      17.09529 
1 1 1 10  19 10 o 36.29423 10.54247 129.1914       69.21584 109.2382       161.3366 133.6923       76.62576 37.44856 15.48682 36.78447 11.19611 0.6640930      19.11006 
1 1 1 10  20 0  o 61.61293 6.484612 339.4630       67.20304 453.8721       110.6223 272.5420       84.60450 69.65776 9.551249 53.72932 9.571969 15.92844       13.52216 
1 1 1 10  20 1  o 56.34285 8.183434 292.1635       76.43388 312.3008       163.9851 286.5744       86.39227 53.25399 16.40992 55.11939 9.522810 -1.865398      18.97286 
1 1 1 10  20 2  o 87.40742 5.563085 673.2800       82.60403 817.1022       180.7333 635.3032       92.87180 91.67289 11.82040 84.42435 6.491651 7.248535       13.48567 
1 1 1 10  20 3  o 64.27298 6.866863 371.6931       74.20183 441.7494       173.3737 355.9830       82.10124 63.70667 15.96775 62.39286 7.881531 1.313812       17.80696 
1 1 1 10  20 4  o 78.85128 5.917059 551.2455       79.09303 738.8085       182.9431 508.1279       87.71427 86.02502 12.84712 75.18641 6.908999 10.83861       14.58708 
1 1 1 10  20 5  o 48.52295 9.027634 222.6673       72.05067 261.6851       174.2556 214.6211       79.13182 48.28153 17.00722 47.05389 10.14659 1.227638       19.80401 
1 1 1 10  20 6  o 17.29103 8.131733 -55.79404      61.52351 58.70906       151.2588 -78.49274      67.34608 33.97360 14.56754 17.16246 8.196798 16.81114       16.71529 
1 1 1 10  20 7  o 68.54887 6.169967 420.8305       71.45068 603.5483       169.6333 381.4219       78.78001 76.24987 13.52294 64.66437 7.259676 11.58550       15.34838 
1 1 1 10  21 0  o 37.80303 11.08443 142.9831       76.19554 140.5886       176.0764 143.5349       84.51915 39.49306 16.23957 37.73144 11.80655 1.761623       20.07781 
1 1 1 10  21 1  f 25.59086 10.50745 35.11502       73.57824 -77.05187      177.2684 58.46130       80.87379 29.74975 13.93057 28.42500 11.24331 1.324751       17.90175 
1 1 1 10  21 2  o 71.90461 7.771924 476.4703       93.91241 732.2139       193.3443 397.5015       107.4376 83.06927 14.13613 64.00227 10.17036 19.06701       17.41454 
1 1 1 10  21 3  o 43.85888 12.22159 199.5647       94.94904 244.7604       154.7177 172.2595       120.2579 46.26702 16.04194 40.43212 14.13602 5.834904       21.38156 
1 1 1 11  0  0  o 382.6396 9.912156 12545.39       646.6969 12545.39       646.6969 12545.39       646.6969 382.6396 9.912156 382.6396 9.912156 0.000000       0.000000 
1 1 1 11  0  1  o 310.5744 8.099029 8260.282       428.8768 8260.282       428.8768 8260.282       428.8768 310.5744 8.099029 310.5744 8.099029 0.000000       0.000000 
1 1 1 11  0  2  o 303.9464 6.632202 7904.123       343.8663 7904.123       343.8663 7904.123       343.8663 303.9464 6.632202 303.9464 6.632202 0.000000       0.000000 
1 1 1 11  0  3  o 630.4942 10.39219 34022.05       1118.212 34022.05       1118.212 34022.05       1118.212 630.4942 10.39219 630.4942 10.39219 0.000000       0.000000 
1 1 1 11  0  4  o 145.4932 5.194547 1815.041       128.6871 1815.041       128.6871 1815.041       128.6871 145.4932 5.194547 145.4932 5.194547 0.000000       0.000000 
1 1 1 11  0  5  o 478.1975 9.153296 19571.98       746.8403 19571.98       746.8403 19571.98       746.8403 478.1975 9.153296 478.1975 9.153296 0.000000       0.000000 
1 1 1 11  0  6  o 60.68435 6.834704 326.4598       68.51502 326.4598       68.51502 326.4598       68.51502 60.68435 6.834704 60.68435 6.834704 0.000000       0.000000 
1 1 1 11  0  7  o 227.2832 4.684992 4418.151       181.6609 4418.151       181.6609 4418.151       181.6609 227.2832 4.684992 227.2832 4.684992 0.000000       0.000000 
1 1 1 11  0  8  o 57.39364 6.861226 293.3890       64.70586 293.3890       64.70586 293.3890       64.70586 57.39364 6.861226 57.39364 6.861226 0.000000       0.000000 
1 1 1 11  0  9  f 20.85458 11.40239 52.03214       57.95078 52.03214       57.95078 52.03214       57.95078 20.85458 11.40239 20.85458 11.40239 0.000000       0.000000 
1 1 1 11  0  10 o 25.24473 12.20282 80.35056       61.24377 80.35056       61.24377 80.35056       61.24377 25.24473 12.20282 25.24473 12.20282 0.000000       0.000000 
1 1 1 11  0  11 o 59.31972 10.02415 326.0170       92.83707 326.0170       92.83707 326.0170       92.83707 59.31972 10.02415 59.31972 10.02415 0.000000       0.000000 
1 1 1 11  0  12 o 196.9686 5.001132 3322.904       167.9709 3322.904       167.9709 3322.904       167.9709 196.9686 5.001132 196.9686 5.001132 0.000000       0.000000 
1 1 1 11  0  13 o 154.3493 4.878278 2042.802       128.2890 2042.802       128.2890 2042.802       128.2890 154.3493 4.878278 154.3493 4.878278 0.000000       0.000000 
1 1 1 11  0  14 o 245.9780 5.799541 5185.227       243.3022 5185.227       243.3022 5185.227       243.3022 245.9780 5.799541 245.9780 5.799541 0.000000       0.000000 
1 1 1 11  0  15 o 21.04089 11.66574 52.28875       61.62861 52.28875       61.62861 52.28875       61.62861 21.04089 11.66574 21.04089 11.66574 0.000000       0.000000 
1 1 1 11  0  16 o 51.35600 25.54500 346.7149       271.4709 346.7149       271.4709 346.7149       271.4709 51.35600 25.54500 51.35600 25.54500 0.000000       0.000000 
1 1 1 11  0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  18 o 188.8141 7.755217 3074.067       249.0932 3074.067       249.0932 3074.067       249.0932 188.8141 7.755217 188.8141 7.755217 0.000000       0.000000 
1 1 1 11  0  19 o 306.5112 6.845648 8068.726       357.9098 8068.726       357.9098 8068.726       357.9098 306.5112 6.845648 306.5112 6.845648 0.000000       0.000000 
1 1 1 11  0  20 o 119.9239 5.973763 1242.280       121.6440 1242.280       121.6440 1242.280       121.6440 119.9239 5.973763 119.9239 5.973763 0.000000       0.000000 
1 1 1 11  0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  22 o 15.10180 10.20282 -34.28217      76.94920 -34.28217      76.94920 -34.28217      76.94920 15.10180 10.20282 15.10180 10.20282 0.000000       0.000000 
1 1 1 11  0  23 o 66.28031 8.349746 397.7747       90.43179 397.7747       90.43179 397.7747       90.43179 66.28031 8.349746 66.28031 8.349746 0.000000       0.000000 
1 1 1 11  0  24 o 55.43676 10.38319 294.3574       88.19767 294.3574       88.19767 294.3574       88.19767 55.43676 10.38319 55.43676 10.38319 0.000000       0.000000 
1 1 1 11  0  25 o 78.63524 8.381634 556.8953       109.3315 556.8953       109.3315 556.8953       109.3315 78.63524 8.381634 78.63524 8.381634 0.000000       0.000000 
1 1 1 11  0  26 o 37.56485 14.43979 172.0933       87.66319 172.0933       87.66319 172.0933       87.66319 37.56485 14.43979 37.56485 14.43979 0.000000       0.000000 
1 1 1 11  0  27 f 37.26216 14.26603 170.1333       85.70643 170.1333       85.70643 170.1333       85.70643 37.26216 14.26603 37.26216 14.26603 0.000000       0.000000 
1 1 1 11  1  0  o 255.5174 4.334642 5577.800       189.1366 5538.126       316.6616 5599.804       235.8223 254.4733 7.287041 255.9805 5.394809 -1.507126      9.066693 
1 1 1 11  1  1  o 144.7308 4.047079 1789.360       100.0241 1709.519       163.6645 1836.961       126.3708 141.4051 6.777781 146.6241 5.047071 -5.219040      8.450518 
1 1 1 11  1  2  o 205.7574 4.568958 3616.925       160.5368 3690.401       267.2074 3575.422       200.8208 207.7316 7.532584 204.5383 5.749526 3.193268       9.476121 
1 1 1 11  1  3  o 373.6252 5.814947 11930.79       371.0085 12337.10       623.9382 11708.54       461.4510 379.6113 9.624996 370.0245 7.302863 9.586792       12.08190 
1 1 1 11  1  4  o 354.3206 4.640882 10726.22       280.8011 10598.70       397.6949 10852.99       396.5331 352.0903 6.614455 356.2959 6.517286 -4.205566      9.285798 
1 1 1 11  1  5  o 222.4433 3.809330 4226.793       144.7004 4093.685       204.8980 4359.225       204.3776 218.8587 5.482417 225.8525 5.299153 -6.993774      7.624822 
1 1 1 11  1  6  o 529.2819 6.521834 23954.20       589.4659 24243.67       834.3324 23665.71       832.9308 532.0882 9.182343 525.6915 9.278464 6.396729       13.05394 
1 1 1 11  1  7  o 106.1980 3.391306 963.3817       61.50145 971.7427       89.92706 956.0347       84.29794 106.6312 4.938603 105.7712 4.667104 0.8600006      6.794973 
1 1 1 11  1  8  o 281.5934 4.578800 6777.046       220.1791 6928.859       312.1350 6626.692       310.6309 284.5958 6.422619 278.3115 6.535992 6.284271       9.163472 
1 1 1 11  1  9  o 556.7285 7.510685 26547.79       714.0439 27405.72       887.5219 24973.40       1202.291 565.2088 9.195348 538.2479 13.08052 26.96088       15.98920 
1 1 1 11  1  10 o 167.3860 3.818179 2394.635       109.1384 2510.183       189.9750 2337.715       133.3374 171.2167 6.497532 165.3415 4.722459 5.875275       8.032406 
1 1 1 11  1  11 o 126.1823 3.778134 1361.062       81.40999 1410.714       135.7313 1333.163       101.7423 128.3366 6.193378 124.8388 4.772543 3.497742       7.818894 
1 1 1 11  1  12 o 109.5223 4.090690 1025.824       76.50697 987.3223       100.9135 1077.868       117.3263 107.2349 5.529579 111.9850 6.158945 -4.750084      8.277007 
1 1 1 11  1  13 o 35.67730 6.897261 112.9221       40.50117 112.3151       56.71397 113.5539       57.85775 35.45838 9.264198 35.65836 9.376848 -0.1999741     13.18145 
1 1 1 11  1  14 o 152.2313 3.460890 1981.588       89.96915 2017.375       133.1269 1951.502       122.0630 153.4707 5.079705 150.9754 4.734520 2.495346       6.943996 
1 1 1 11  1  15 f 321.3183 4.681196 8841.402       256.8586 9112.197       365.1122 8576.055       361.4219 325.7397 6.563774 315.9739 6.698249 9.765839       9.378148 
1 1 1 11  1  16 o 67.16983 17.04541 416.5011       195.8406 367.6865       269.1462 471.4270       285.4973 64.34157 21.16135 71.34898 21.58787 -7.007408      30.22977 
1 1 1 11  1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  1  18 o 284.2832 4.621229 6924.346       224.3420 6759.579       317.9239 7087.760       316.6152 280.3648 6.640452 287.1458 6.456951 -6.780945      9.262171 
1 1 1 11  1  19 o 166.8249 3.869748 2382.990       110.2416 2369.846       153.9609 2396.820       157.9250 166.1375 5.426764 167.0615 5.535700 -0.9240570     7.752016 
1 1 1 11  1  20 o 55.92185 9.699295 280.4278       89.26621 -8.365702      139.1505 482.3901       116.3660 31.92583 13.83218 73.80560 9.449830 -41.87977      16.75197 
1 1 1 11  1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  1  22 o 54.98907 6.466438 265.5291       59.56182 312.8882       88.40067 226.1550       80.60441 59.04180 9.056975 49.80325 9.826610 9.238548       13.36380 
1 1 1 11  1  23 o 89.05758 4.444643 683.0144       67.59425 682.7065       95.14024 683.3282       96.05167 88.43349 6.342190 88.45600 6.402085 -0.2251434E-01 9.011662 
1 1 1 11  1  24 o 45.87053 7.369109 189.0002       55.76891 184.9576       77.20996 193.4099       80.64011 44.47918 10.35827 45.43252 10.58965 -0.9533463     14.81332 
1 1 1 11  1  25 o 29.15762 9.518151 75.21906       54.48882 56.08966       73.10503 99.12989       81.73237 28.33487 10.83331 33.65944 11.66023 -5.324577      15.91608 
1 1 1 11  1  26 o 36.41817 9.845219 125.2924       62.69164 112.9427       93.52190 135.3705       84.48411 35.52622 12.46346 37.74816 11.80285 -2.221943      17.16523 
1 1 1 11  1  27 f 43.67900 8.476119 177.6406       60.94205 169.3389       88.04343 185.2766       84.43964 41.47366 11.84393 43.51672 11.27240 -2.043053      16.35071 
1 1 1 11  2  0  o 508.8750 8.920194 22161.99       775.1528 20988.58       1094.557 23342.61       1097.914 494.5796 12.95986 521.7009 12.32380 -27.12131      17.88391 
1 1 1 11  2  1  o 196.3274 4.007565 3292.551       134.3580 3149.679       222.9075 3374.077       168.3835 191.9381 6.800825 198.7189 4.962019 -6.780823      8.418601 
1 1 1 11  2  2  f 688.6804 9.995311 40611.41       1175.482 40549.57       1981.862 40644.97       1460.019 686.3354 16.90967 688.4310 12.41927 -2.095642      20.98035 
1 1 1 11  2  3  o 305.8939 5.155688 7995.659       269.3142 8257.725       453.0260 7852.424       334.9215 310.6541 8.539729 303.0732 6.471330 7.580902       10.71471 
1 1 1 11  2  4  o 405.7034 5.851641 14068.46       405.4042 14036.28       682.3702 14086.02       503.9943 404.8463 9.870248 405.8402 7.272246 -0.9939880     12.25999 
1 1 1 11  2  5  o 299.6350 5.044649 7672.174       258.1223 7301.297       445.2935 7859.859       316.7716 292.0443 8.928854 303.2186 6.117705 -11.17432      10.82362 
1 1 1 11  2  6  f 72.33655 4.163582 448.5313       51.21409 474.3004       74.69063 425.6647       70.35866 74.24804 5.940617 70.31520 5.914513 3.932838       8.382862 
1 1 1 11  2  7  o 365.2479 5.276758 11403.53       329.1219 11588.54       410.2184 11069.30       551.3770 368.0884 6.526211 359.4693 8.982245 8.619110       11.10280 
1 1 1 11  2  8  o 130.5086 3.701549 1455.266       82.49440 1669.432       155.2057 1370.938       97.39049 139.6842 6.506663 126.6505 4.503061 13.03374       7.912915 
1 1 1 11  2  9  o 272.2653 4.070441 6335.464       189.2499 6202.694       268.6382 6466.278       266.6525 269.2588 5.842463 274.9354 5.679538 -5.676666      8.148099 
1 1 1 11  2  10 o 44.62750 5.209064 172.6856       38.95062 147.5276       57.92003 193.4567       52.62840 40.70017 8.602741 47.05021 6.743027 -6.350040      10.93049 
1 1 1 11  2  11 o 180.7977 3.442112 2793.813       106.2722 2828.169       152.4319 2761.321       148.2391 181.8109 4.909690 179.6551 4.831935 2.155731       6.888589 
1 1 1 11  2  12 o 341.4526 5.521999 9984.676       321.9799 9888.313       541.4811 10037.38       400.4720 338.8535 9.357705 342.0758 6.855639 -3.222260      11.60028 
1 1 1 11  2  13 o 285.8968 4.979937 6998.193       243.1281 7115.104       304.4288 6792.305       403.9926 288.0595 6.188730 280.9428 8.420803 7.116699       10.45037 
1 1 1 11  2  14 o 151.8813 3.509703 1972.627       91.02837 2044.900       136.4010 1914.593       122.2289 154.5006 5.169942 149.5323 4.786709 4.968292       7.045629 
1 1 1 11  2  15 o 126.9799 3.642709 1379.209       78.98806 1292.891       116.2290 1453.287       107.6730 122.7958 5.542796 130.2549 4.840728 -7.459129      7.359024 
1 1 1 11  2  16 o 116.8401 13.09494 1208.683       256.7802 1146.836       353.3561 1277.890       373.7887 111.5554 19.24424 117.8952 19.22938 -6.339806      27.20496 
1 1 1 11  2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  2  18 o 263.2075 4.408000 5934.065       198.1261 5861.965       280.4494 6005.902       279.9366 261.1739 6.288149 264.3846 6.200426 -3.210693      8.830974 
1 1 1 11  2  19 o 173.4396 3.919823 2576.179       116.0958 2700.971       165.2137 2454.449       163.1739 177.3411 5.455502 169.0181 5.653478 8.322983       7.856482 
1 1 1 11  2  20 o 90.58215 4.613491 706.1490       71.12692 757.1386       100.8361 655.6568       100.3431 93.48179 6.354374 86.86209 6.819621 6.619698       9.321229 
1 1 1 11  2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  2  22 o 95.88316 4.642371 791.3017       76.01234 766.8565       113.7507 811.0244       102.1741 93.61597 7.169953 96.57094 6.228946 -2.954971      9.497788 
1 1 1 11  2  23 o 63.25203 6.101496 350.2778       65.08651 353.9258       96.36998 347.2182       88.25668 62.59545 9.298186 62.25521 8.525767 0.3402367      12.61527 
1 1 1 11  2  24 o 63.50707 6.068380 354.2239       65.00967 411.9093       94.94906 303.3176       89.19557 67.72189 8.389919 57.60378 9.391168 10.11811       12.59305 
1 1 1 11  2  25 o 57.18511 6.142687 289.1060       59.04499 331.4817       86.68998 252.4366       80.64210 60.32636 8.663756 52.22216 9.387972 8.104198       12.77477 
1 1 1 11  2  26 o 35.38908 10.00395 118.2677       63.14390 77.25120       97.82801 147.5591       82.67122 32.32838 12.48792 39.16730 11.56335 -6.838921      17.01938 
1 1 1 11  2  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  3  0  o 239.6329 4.940659 4906.482       202.1777 5080.469       290.1809 4742.346       281.8462 243.7599 6.971153 235.5070 7.008199 8.252945       9.884930 
1 1 1 11  3  1  o 160.2010 4.771359 2192.744       130.5297 2183.424       183.0641 2202.383       186.1689 159.8090 6.708107 160.4987 6.792562 -0.6896973     9.546601 
1 1 1 11  3  2  f 240.3639 3.903186 4935.211       160.2103 5506.790       267.9269 4617.090       199.8821 253.8157 6.181529 232.4533 5.035427 21.36238       7.972880 
1 1 1 11  3  3  o 732.0601 11.16469 45932.29       1395.710 44621.24       2416.810 46588.32       1709.612 718.6613 19.69320 736.5956 13.59147 -17.93427      23.92802 
1 1 1 11  3  4  o 204.2313 4.086257 3563.269       142.5115 3600.002       233.0344 3541.324       180.1189 205.1909 6.650588 203.5684 5.181398 1.622513       8.430730 
1 1 1 11  3  5  o 389.9426 6.158953 12999.87       410.1187 12584.64       689.6027 13227.10       510.1391 383.1841 10.53876 393.2024 7.597497 -10.01825      12.99182 
1 1 1 11  3  6  o 117.9029 4.524919 1187.840       91.10392 1212.643       127.9723 1162.351       129.7265 118.9158 6.324677 116.3976 6.553196 2.518227       9.107465 
1 1 1 11  3  7  o 193.2134 4.868595 3190.837       160.6360 3251.731       532.3220 3184.737       168.4906 193.3540 16.27333 193.0182 5.111820 0.3357391      17.05731 
1 1 1 11  3  8  f 422.4897 5.593151 15266.03       403.5288 15104.94       571.7399 15425.92       569.6179 419.8949 7.973629 424.3529 7.860579 -4.457947      11.19676 
1 1 1 11  3  9  f 116.7065 3.310971 1163.760       65.98611 1224.623       98.84837 1114.838       88.62359 119.6724 4.836972 114.1922 4.544762 5.480247       6.637105 
1 1 1 11  3  10 o 346.3301 4.938328 10260.38       292.0600 10828.79       415.9736 9707.746       410.1582 355.4872 6.852355 336.5326 7.137108 18.95462       9.894094 
1 1 1 11  3  11 o 61.60262 4.406159 326.2436       46.04524 348.2770       70.86189 310.1421       60.57667 63.39693 6.644233 59.87354 6.005677 3.523384       8.956226 
1 1 1 11  3  12 o 77.92854 4.043965 520.7825       53.63034 558.8712       82.59104 493.0133       70.52065 80.52782 6.050219 75.67273 5.494743 4.855095       8.172964 
1 1 1 11  3  13 o 217.9251 4.394596 4064.094       163.5416 3970.542       281.6845 4111.663       200.8616 214.9076 7.675548 219.0755 5.369096 -4.167923      9.367028 
1 1 1 11  3  14 o 135.6987 4.398439 1576.198       101.9240 1571.699       142.6975 1580.883       145.6317 135.3409 6.174269 135.7238 6.283450 -0.3829193     8.809276 
1 1 1 11  3  15 o 92.76505 3.564831 736.0629       56.47097 741.5579       85.32378 731.7797       75.33057 92.84775 5.404800 92.30481 4.795607 0.5429382      7.225628 
1 1 1 11  3  16 o 205.5458 19.52455 3840.148       677.0890 4149.740       991.4174 3569.521       926.9290 206.7453 28.86900 191.2115 29.32337 15.53381       41.14948 
1 1 1 11  3  17 o 108.6172 3.797848 1009.555       70.44306 1127.402       110.1329 927.9614       91.64013 114.6307 5.626186 104.0385 5.158101 10.59222       7.632822 
1 1 1 11  3  18 o 68.47233 5.188310 404.3988       60.21497 414.1525       97.62625 398.4098       76.49966 68.72736 8.499492 67.73063 6.702079 0.9967270      10.82401 
1 1 1 11  3  19 o 23.27537 9.600696 14.82521       61.77781 16.26766       96.86710 13.83628       80.20629 28.46239 11.90397 25.99679 10.84887 2.465593       16.10598 
1 1 1 11  3  20 o 53.59305 7.139523 252.7903       63.71461 251.1559       91.84916 254.3063       88.45859 52.56925 10.59752 53.02216 10.13921 -0.4529076     14.66666 
1 1 1 11  3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  3  22 o 177.1471 4.720882 2702.726       142.8102 2819.412       182.6776 2519.334       229.0173 180.4827 5.927175 169.7179 7.902032 10.76486       9.877931 
1 1 1 11  3  23 o 67.46392 5.778361 397.3053       65.92752 432.3631       92.82719 361.6237       93.64943 69.75112 7.934516 63.39152 8.896029 6.359604       11.92040 
1 1 1 11  3  24 o 53.59543 7.697117 258.0457       68.42447 308.6265       105.4633 221.2766       89.91861 57.31592 11.17665 48.37922 11.11732 8.936707       15.76428 
1 1 1 11  3  25 o 19.66119 8.619473 -8.440982      55.40647 -15.34082      99.98255 -5.382981      66.56157 25.86810 11.44984 21.80343 9.505780 4.064671       14.88149 
1 1 1 11  3  26 o 55.76012 7.076051 279.4649       65.86115 391.7226       97.63236 185.7216       89.21872 65.24452 9.002714 43.61019 11.72618 21.63433       14.78351 
1 1 1 11  4  0  o 505.8397 9.426644 21904.47       814.2765 19662.96       1174.753 23977.31       1129.690 478.4321 14.37886 528.7074 12.51244 -50.27533      19.06076 
1 1 1 11  4  1  o 470.7831 8.507478 18965.22       683.9487 17666.44       987.1047 20164.52       948.5462 453.7653 12.73884 485.0126 11.45259 -31.24731      17.13009 
1 1 1 11  4  2  o 311.1476 5.657082 8274.374       300.5805 7814.158       423.8180 8740.135       426.3634 302.2051 8.212506 319.6413 7.811152 -17.43625      11.33399 
1 1 1 11  4  3  o 123.9617 4.064892 1312.737       86.04751 1372.451       143.1846 1278.981       107.6559 126.5190 6.650671 122.3377 5.153182 4.181244       8.413484 
1 1 1 11  4  4  o 688.8279 9.990093 40651.33       1175.120 43046.77       1981.709 39352.22       1459.387 706.7881 16.41907 677.0447 12.62267 29.74347       20.71033 
1 1 1 11  4  5  o 243.6881 5.389064 5075.863       224.2588 5560.869       317.9822 4595.901       316.3241 254.9497 7.303758 231.7306 7.993683 23.21910       10.82792 
1 1 1 11  4  6  o 394.7866 7.130548 13336.27       480.7146 12735.48       1690.152 13389.15       501.4236 379.8744 26.21500 395.5327 7.423700 -15.65833      27.24587 
1 1 1 11  4  7  o 210.0412 4.266435 3770.330       153.0282 3750.085       255.0620 3781.715       191.2789 209.3039 7.136189 210.3042 5.326197 -1.000229      8.904695 
1 1 1 11  4  8  o 38.97306 6.405753 133.4054       41.15050 88.08906       60.31016 172.8802       56.28892 32.11555 9.960952 44.28269 7.724600 -12.16714      12.60516 
1 1 1 11  4  9  o 206.9682 3.797456 3661.196       134.2142 3964.975       223.7877 3490.553       167.7267 215.2109 6.089336 202.0215 4.861861 13.18941       7.792157 
1 1 1 11  4  10 o 213.8903 4.512778 3912.932       164.8303 4058.211       276.7715 3833.085       205.1862 217.5018 7.451719 211.5905 5.678713 5.911270       9.368879 
1 1 1 11  4  11 f 317.9796 4.529673 8650.412       245.9620 8808.266       353.1985 8501.783       342.7234 320.5390 6.452619 314.9287 6.372789 5.610291       9.069109 
1 1 1 11  4  12 o 54.29641 4.833895 254.3419       44.35104 295.5102       72.28986 229.4928       56.16319 58.18988 7.445657 51.31284 6.559619 6.877048       9.923024 
1 1 1 11  4  13 o 95.06855 4.852181 775.9210       78.51044 652.9604       111.1239 898.4689       110.9374 86.82234 7.570799 102.1282 6.393279 -15.30584      9.909138 
1 1 1 11  4  14 o 78.52804 4.379044 529.5123       58.48893 509.0682       99.98607 540.1473       72.11468 76.52380 7.758667 79.20497 5.363357 -2.681175      9.431993 
1 1 1 11  4  15 o 106.5429 4.418272 971.9700       80.38573 940.7259       105.9354 1014.381       123.4231 104.5280 5.959489 108.4406 6.697827 -3.912590      8.965288 
1 1 1 11  4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  4  17 o 105.0533 3.847750 944.5463       69.02694 1086.019       109.5341 851.3514       88.90141 112.3404 5.728708 99.49763 5.250910 12.84276       7.771110 
1 1 1 11  4  18 o 49.00764 6.502966 210.1552       53.07839 247.0063       86.05248 187.5249       67.43463 52.49270 9.964268 45.77626 8.947351 6.716442       13.39185 
1 1 1 11  4  19 o 152.4981 3.913044 1992.527       101.9016 2071.934       153.0513 1929.299       136.5735 155.1915 5.775203 149.8363 5.337618 5.355133       7.864041 
1 1 1 11  4  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  4  21 o 141.8422 4.117280 1727.787       99.72817 1786.534       149.1207 1680.252       134.1397 143.7473 6.074862 139.5285 5.629791 4.218750       8.282421 
1 1 1 11  4  22 o 144.2194 3.995378 1787.533       98.39739 1801.773       147.6626 1776.159       131.9664 144.2065 5.996306 143.3780 5.389880 0.8284454      8.062661 
1 1 1 11  4  23 o 37.77751 9.914675 132.2518       64.76753 144.1852       104.9488 124.9113       82.31163 39.88790 13.21872 37.02722 11.66198 2.860680       17.62771 
1 1 1 11  4  24 o 48.49646 9.429254 217.7348       75.27674 244.5799       185.6467 212.4524       82.35047 49.78337 17.55235 47.53236 10.43181 2.251007       20.41832 
1 1 1 11  4  25 o 20.51679 8.829314 0.5460052      55.93079 169.5141       108.3982 -60.75996      65.29368 41.87271 13.40395 17.93130 8.414956 23.94141       15.82648 
1 1 1 11  4  26 f 68.63562 6.494928 419.1208       75.21954 429.6382       117.1567 411.7448       98.11209 67.41902 10.51959 66.93374 8.796773 0.4852829      13.71295 
1 1 1 11  5  0  o 284.8718 5.600372 6935.804       272.4384 7265.206       393.0824 6631.298       377.9358 291.4168 7.898909 278.4098 7.949349 13.00702       11.20647 
1 1 1 11  5  1  o 294.8076 5.473169 7427.888       275.5367 7094.856       397.3289 7736.417       382.4333 287.9602 8.080081 300.7453 7.446547 -12.78510      10.98812 
1 1 1 11  5  2  o 432.3968 7.908227 15997.05       583.9337 15258.25       842.8489 16678.97       809.7585 421.7732 11.70224 441.1286 10.74950 -19.35544      15.89006 
1 1 1 11  5  3  o 374.8330 7.275543 12018.62       465.6988 12120.36       672.4124 11924.82       645.6007 376.0425 10.47121 373.0421 10.13455 3.000458       14.57241 
1 1 1 11  5  4  o 318.5124 6.511745 8676.063       354.1814 9656.878       500.3003 7690.625       501.4779 335.8198 8.724138 299.5744 9.802689 36.24542       13.12263 
1 1 1 11  5  5  o 351.5203 6.744782 10571.02       404.8744 10288.24       1418.063 10596.11       422.4592 341.9773 24.44377 351.9079 7.029976 -9.930542      25.43459 
1 1 1 11  5  6  f 200.9250 3.807497 3449.489       130.6398 3629.715       216.2687 3345.944       163.9274 205.9872 6.148249 197.8417 4.852123 8.145493       7.832245 
1 1 1 11  5  7  o 230.0608 4.218912 4523.835       165.7467 4192.212       275.8111 4711.292       207.3670 221.2399 7.300396 234.7178 5.173584 -13.47800      8.947723 
1 1 1 11  5  8  o 224.6130 3.918932 4312.191       150.3157 3906.567       249.7479 4542.587       188.2254 213.5578 6.848326 230.4761 4.782451 -16.91826      8.352928 
1 1 1 11  5  9  o 68.72614 3.998982 405.1766       46.72958 377.9335       78.91432 419.8878       57.98986 66.01758 7.112209 69.88844 4.889787 -3.870857      8.630963 
1 1 1 11  5  10 o 226.7863 4.188664 4398.692       162.2162 4097.899       270.1696 4568.263       202.8509 218.5365 7.239533 231.0195 5.141931 -12.48308      8.879769 
1 1 1 11  5  11 o 195.4917 4.741021 3270.805       158.2713 3280.128       224.2274 3261.547       223.4336 195.5382 6.715141 194.9842 6.710380 0.5540009      9.493278 
1 1 1 11  5  12 o 225.2536 4.250844 4341.557       163.5117 4462.775       272.7586 4273.558       204.2889 227.9582 7.006825 223.3423 5.356388 4.615952       8.819665 
1 1 1 11  5  13 o 144.3444 3.881555 1782.488       95.67704 1823.779       158.9505 1759.027       119.8136 145.7624 6.385789 143.3082 4.895908 2.454254       8.046628 
1 1 1 11  5  14 o 117.0158 3.633723 1171.304       72.61034 1170.793       110.2596 1171.696       96.48624 116.8478 5.525787 116.9520 4.831211 -0.1041641     7.339953 
1 1 1 11  5  15 o 184.9681 13.37861 3014.143       419.7296 3097.271       562.1744 2909.438       630.9324 185.2545 17.99769 177.6791 21.21375 7.575394       27.81978 
1 1 1 11  5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5  17 o 37.70527 7.615092 126.8877       47.34351 45.58981       83.18269 165.8409       57.57919 29.24889 11.45447 43.15099 8.111778 -13.90210      14.03588 
1 1 1 11  5  18 o 68.06360 4.705913 399.1663       54.36083 338.6851       88.22045 436.1873       69.02129 61.97056 8.565450 71.01418 5.740718 -9.043613      10.31129 
1 1 1 11  5  19 o 22.83025 8.908084 28.27045       50.16845 92.21208       79.11108 -14.74030      64.88347 33.54295 11.47902 21.20458 9.311041 12.33836       14.78050 
1 1 1 11  5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5  21 o 140.0913 4.188296 1686.584       100.1960 1769.752       148.5290 1617.130       135.7313 142.9925 6.082695 136.7684 5.811555 6.224121       8.412690 
1 1 1 11  5  22 o 69.09109 5.626431 415.8708       65.80645 499.4413       103.5694 359.2895       85.21996 74.96574 8.225479 63.51277 8.037267 11.45296       11.50027 
1 1 1 11  5  23 o 71.60439 5.762539 448.1628       69.86552 517.7750       116.6592 409.2325       87.24088 75.71405 9.212674 67.79425 7.670690 7.919800       11.98803 
1 1 1 11  5  24 f 26.10663 9.756174 49.67514       58.51596 110.4291       96.29136 14.10193       73.68199 35.61668 12.63212 24.47563 10.31749 11.14105       16.31015 
1 1 1 11  5  25 o 47.06984 11.46366 214.2606       91.28809 570.8231       231.9704 148.9213       99.30062 71.91167 18.71082 39.50153 12.84694 32.41014       22.69666 
1 1 1 11  5  26 o 35.97704 10.05469 123.7309       64.16623 102.7213       104.1135 136.5990       81.48058 34.74141 13.00755 37.58229 11.56505 -2.840881      17.40536 
1 1 1 11  6  0  o 542.4480 9.242550 25197.16       856.1539 24853.19       1235.744 25514.69       1187.279 537.8592 13.45420 545.1397 12.75390 -7.280518      18.53854 
1 1 1 11  6  1  o 483.5706 8.054077 20011.85       665.0856 19608.92       959.5894 20384.35       922.6444 478.0595 11.75443 487.5522 11.08183 -9.492645      16.15467 
1 1 1 11  6  2  o 296.2789 6.085497 7505.359       307.8922 7788.822       444.4981 7243.914       426.8864 301.6123 8.630163 290.8739 8.594205 10.73837       12.17949 
1 1 1 11  6  3  o 301.1385 8.170620 7763.712       420.1682 7752.795       456.6689 7823.926       1072.543 300.8528 8.888848 299.3315 21.11811 1.521301       22.91258 
1 1 1 11  6  4  o 586.4286 12.75268 29579.20       1277.082 22968.64       4735.548 30097.67       1326.218 480.3438 58.97051 591.4155 13.13168 -111.0717      60.41491 
1 1 1 11  6  5  o 153.0515 3.666783 2001.476       95.83511 2227.612       159.5517 1873.842       119.8673 161.3822 5.789536 148.0563 4.741020 13.32593       7.483047 
1 1 1 11  6  6  o 230.6413 4.501676 4547.477       177.3019 4548.146       304.4477 4547.133       218.1044 230.3868 7.738434 230.5611 5.539574 -0.1742859     9.516840 
1 1 1 11  6  7  f 187.9931 3.971121 3020.849       127.4844 3122.719       212.0146 2963.158       159.5502 190.9618 6.501556 186.1287 5.019751 4.833099       8.213899 
1 1 1 11  6  8  o 101.8002 3.717271 885.8389       64.62115 780.3096       100.9612 959.0745       84.10646 95.24516 6.241924 105.8913 4.651224 -10.64612      7.784311 
1 1 1 11  6  9  o 199.6975 4.115404 3410.399       140.3418 3226.854       233.4796 3514.229       175.6066 193.9528 7.049383 202.6311 5.074962 -8.678375      8.686140 
1 1 1 11  6  10 f 194.7758 4.762542 3246.873       158.4075 3573.431       223.7365 2918.643       224.3086 204.1401 6.418101 184.4003 7.123319 19.73988       9.588206 
1 1 1 11  6  11 o 235.3834 4.423355 4741.428       177.7991 4828.144       299.3448 4694.160       221.0074 237.0443 7.395035 234.0580 5.529444 2.986359       9.233705 
1 1 1 11  6  12 o 33.41243 7.489313 99.77029       41.67485 96.82613       67.47852 101.5858       52.98835 33.60816 10.55481 33.73765 9.022263 -0.1294861     13.88544 
1 1 1 11  6  13 o 247.2258 4.549928 5233.709       192.0880 5044.852       323.1270 5336.925       238.8796 242.0463 7.817589 249.4658 5.607459 -7.419525      9.620722 
1 1 1 11  6  14 o 316.2996 16.74266 8920.347       901.1066 8832.581       1265.945 9010.483       1282.939 307.6813 24.29174 310.6859 24.37713 -3.004639      34.41414 
1 1 1 11  6  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  6  16 o 219.4841 4.583219 4127.339       171.7812 3723.615       298.0484 4328.158       210.2069 207.6333 8.405972 224.5947 5.480820 -16.96144      10.03493 
1 1 1 11  6  17 o 150.3048 5.022550 1937.767       128.9137 2131.116       183.0909 1747.676       181.5420 157.3240 6.815065 142.1515 7.505261 15.17247       10.13775 
1 1 1 11  6  18 o 96.89887 4.303627 805.0669       71.21233 808.2893       112.2530 802.8966       92.12322 96.54779 6.853055 96.46622 5.616625 0.8156586E-01  8.860634 
1 1 1 11  6  19 o 80.27613 6.444390 560.2755       87.59795 578.0197       116.6055 537.2891       132.7168 81.00356 8.559355 77.54092 10.27604 3.462639       13.37384 
1 1 1 11  6  20 o 180.2824 4.175635 2791.529       128.5517 2588.832       194.3808 2949.099       171.3825 172.8591 6.585050 184.9260 5.427083 -12.06691      8.533236 
1 1 1 11  6  21 o 34.91149 8.474293 111.2293       50.01193 106.6926       90.07656 113.2511       60.13172 35.50885 12.24438 35.19113 9.696019 0.3177223      15.61850 
1 1 1 11  6  22 o 59.12811 6.063842 306.7128       60.36082 229.2402       104.5883 345.4043       73.91236 49.12453 12.45133 62.50361 7.047886 -13.37908      14.30763 
1 1 1 11  6  23 o 68.10812 5.924970 407.0004       68.22418 485.2262       122.1933 371.5701       82.23557 72.68390 10.11933 64.48924 7.614299 8.194656       12.66405 
1 1 1 11  6  24 o 54.69705 7.327807 268.9242       66.72422 456.3580       121.7663 188.4919       79.76611 69.91381 10.52544 44.48158 10.64354 25.43224       14.96896 
1 1 1 11  6  25 o 108.1723 4.698441 1016.215       86.79039 1245.600       146.4586 892.0657       107.7470 118.1687 7.293547 100.4925 6.310735 17.67616       9.644751 
1 1 1 11  7  0  o 179.3390 5.134272 2748.966       157.2373 2638.921       220.7496 2862.297       224.0206 175.6172 7.360901 182.9088 7.172185 -7.291565      10.27731 
1 1 1 11  7  1  o 231.6645 4.705639 4586.588       186.1573 4679.854       268.5138 4500.272       258.3146 233.8963 6.722662 229.3728 6.594854 4.523499       9.417339 
1 1 1 11  7  2  o 514.1858 12.12572 22724.33       1064.706 22841.87       1152.327 22038.38       2783.651 515.2304 13.09702 494.9664 33.12464 20.26398       35.61985 
1 1 1 11  7  3  o 367.9655 8.694912 11604.88       546.3541 9649.392       1990.981 11764.13       568.1651 323.7318 36.66096 370.4343 8.981759 -46.70258      37.74517 
1 1 1 11  7  4  o 338.0957 6.357014 9782.324       367.0242 9858.627       530.2536 9712.145       508.5289 338.9962 9.159818 336.5213 8.849142 2.474915       12.73615 
1 1 1 11  7  5  o 62.29645 5.296988 334.3404       55.81535 365.1615       80.51798 305.8296       77.44153 64.86703 7.401387 59.22094 7.851225 5.646091       10.78992 
1 1 1 11  7  6  o 146.4725 3.941422 1833.904       98.58501 1827.984       164.9061 1837.197       122.9812 146.0858 6.610386 146.5578 4.913917 -0.4720306     8.236734 
1 1 1 11  7  7  o 179.4702 4.119105 2754.079       126.2401 3038.056       214.6413 2603.898       156.0917 188.2778 6.675937 174.4315 5.240262 13.84631       8.486959 
1 1 1 11  7  8  o 143.7581 4.571332 1768.092       112.2217 1674.654       162.5664 1853.152       155.1072 139.7377 6.812638 147.0543 6.176644 -7.316589      9.195813 
1 1 1 11  7  9  o 95.79707 3.807978 784.7649       62.29434 746.1117       100.3465 809.0015       79.45959 93.06787 6.351886 97.22214 4.786072 -4.154266      7.953172 
1 1 1 11  7  10 o 49.75315 5.439417 214.5884       45.46125 305.8463       73.08891 157.0038       58.05903 59.21168 7.389235 41.97931 8.392375 17.23237       11.18180 
1 1 1 11  7  11 o 148.2519 3.722107 1879.922       94.23038 1630.417       157.1406 2020.017       117.7501 137.7941 6.678146 153.6150 4.488752 -15.82095      8.046523 
1 1 1 11  7  12 o 91.16515 3.913266 711.1299       60.92144 653.1161       100.9289 744.3819       76.41145 86.91260 6.856012 93.09749 4.822922 -6.184891      8.382451 
1 1 1 11  7  13 o 124.8894 3.783237 1334.586       80.68467 1422.518       135.1235 1285.861       100.5851 128.7139 6.147570 122.5083 4.808017 6.205597       7.804463 
1 1 1 11  7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  7  15 o 204.8474 4.449626 3594.252       155.6524 3452.659       269.7463 3664.932       190.5821 200.0935 7.894427 206.6973 5.399397 -6.603851      9.564281 
1 1 1 11  7  16 o 189.3540 4.328653 3071.371       139.9681 2782.959       242.4492 3215.546       171.4191 179.5649 7.906736 193.6108 5.184749 -14.04587      9.455056 
1 1 1 11  7  17 o 73.64182 5.201304 467.9625       64.98853 509.1360       112.3270 447.2453       79.67835 76.11925 8.803932 71.75583 6.575650 4.363419       10.98856 
1 1 1 11  7  18 o 60.18158 5.822799 314.8862       59.09275 316.5313       102.9023 314.0767       72.18118 59.18958 10.56845 59.82036 7.211379 -0.6307755     12.79438 
1 1 1 11  7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  7  20 f 89.65549 4.724662 694.0186       72.07983 693.4047       133.3165 694.2721       85.68317 88.36699 8.958529 89.46324 5.637360 -1.096252      10.58466 
1 1 1 11  7  21 o 54.77456 6.590119 264.6607       60.40457 318.5280       132.6883 250.5789       67.84206 57.66835 13.68038 52.96037 7.729154 4.707981       15.71282 
1 1 1 11  7  22 o 43.32777 8.077312 170.6790       57.56473 193.9180       128.5266 164.8475       64.38340 45.13942 14.61084 42.24947 9.185737 2.889950       17.25846 
1 1 1 11  7  23 o 71.96947 5.855376 454.8197       71.33838 491.9404       147.3654 443.4581       81.52798 71.62294 12.50366 70.70767 6.837445 0.9152679      14.25104 
1 1 1 11  7  24 o 105.3058 4.815741 962.6212       86.59988 1127.923       145.2469 871.4482       107.8700 112.3926 7.612655 99.39140 6.389359 13.00117       9.938633 
1 1 1 11  7  25 o 54.17552 7.678379 267.3764       69.04709 271.1396       134.8618 266.0395       80.38125 50.94775 14.69188 53.36841 9.149281 -2.420658      17.30782 
1 1 1 11  8  0  o 226.2554 5.822075 4378.303       224.9462 4570.960       245.9320 3391.775       556.5152 231.1513 6.230411 197.2668 16.67666 33.88448       17.80250 
1 1 1 11  8  1  o 291.1420 7.101644 7257.083       353.0739 7903.630       1270.699 7202.990       367.5471 298.2320 25.18650 290.0186 7.421390 8.213379       26.25713 
1 1 1 11  8  2  o 212.8219 4.902931 3872.709       178.1862 4179.640       257.4117 3590.327       246.9032 220.9494 6.822344 204.7615 7.061165 16.18787       9.818576 
1 1 1 11  8  3  o 163.2200 4.572044 2277.721       127.4341 2237.054       183.7385 2315.414       176.8943 161.6351 6.656753 164.4661 6.298478 -2.830978      9.164234 
1 1 1 11  8  4  o 89.67898 4.646201 689.5781       70.90857 776.7538       102.7960 610.4443       97.93986 95.02966 6.371426 84.13424 6.876988 10.89542       9.374862 
1 1 1 11  8  5  o 81.63950 5.292454 572.7448       73.38596 613.7872       106.0909 535.0886       101.6203 84.27256 7.448778 78.60918 7.667792 5.663383       10.69015 
1 1 1 11  8  6  o 319.4348 5.999448 8740.840       327.2619 8922.858       474.0829 8575.149       452.3201 322.1864 8.616783 315.9027 8.384760 6.283722       12.02303 
1 1 1 11  8  7  o 127.0844 3.866575 1381.049       83.91130 1234.039       139.6525 1464.112       104.9736 119.7438 6.858110 130.8034 4.699583 -11.05959      8.313828 
1 1 1 11  8  8  o 413.8407 6.620002 14693.19       467.8355 15223.08       809.7562 14427.70       573.1771 419.3217 11.30850 409.5645 8.195295 9.757202       13.96585 
1 1 1 11  8  9  o 38.36292 6.798544 130.0783       42.90741 172.6103       69.97832 104.4547       54.31563 43.88274 9.604886 34.21243 9.127914 9.670315       13.25038 
1 1 1 11  8  10 o 266.2370 4.683250 6069.431       212.9206 6056.697       367.8185 6075.849       261.1186 265.2000 8.121910 266.1864 5.744472 -0.9863892     9.948085 
1 1 1 11  8  11 o 76.25163 4.265644 499.2584       55.32108 538.2031       94.08640 478.6799       68.39268 78.80820 7.066288 74.52782 5.410788 4.280380       8.899946 
1 1 1 11  8  12 o 89.57363 4.058522 686.7599       62.07975 704.1289       104.2010 677.2028       77.29482 90.24612 6.811662 88.73714 5.122638 1.508980       8.522920 
1 1 1 11  8  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  8  14 o 168.8470 4.226340 2441.169       121.8596 2191.203       209.8657 2568.318       149.6772 159.4414 7.707940 173.0810 5.064125 -13.63956      9.222672 
1 1 1 11  8  15 o 165.7884 4.180046 2353.908       118.3415 2194.245       205.7551 2432.835       144.6641 159.5240 7.553053 168.4314 5.029628 -8.907394      9.074457 
1 1 1 11  8  16 o 100.4090 4.479146 864.3614       76.80149 874.2941       133.9350 859.4953       93.74506 100.2571 7.886741 99.87087 5.518177 0.3862152      9.625537 
1 1 1 11  8  17 o 104.8183 4.428480 942.7886       79.26722 903.9236       138.0649 961.8986       96.81326 101.7622 8.009768 105.6151 5.385821 -3.852966      9.652122 
1 1 1 11  8  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  8  19 o 69.92081 5.398789 424.2621       63.96290 339.3850       122.2441 456.2601       75.05746 60.46607 12.25856 72.36115 6.131828 -11.89508      13.70663 
1 1 1 11  8  20 f 191.8938 5.631503 3186.839       184.5386 3118.573       259.7423 3256.418       262.2295 188.5005 8.069161 192.6857 7.969482 -4.185196      11.34125 
1 1 1 11  8  21 o 58.30117 6.215732 298.9571       60.92887 312.5484       134.3795 295.4399       68.35936 56.76403 13.96000 57.70449 7.086149 -0.9404678     15.65551 
1 1 1 11  8  22 o 80.47404 5.188438 564.2167       70.92085 489.3707       147.3905 586.7670       80.90225 71.60667 12.50879 81.86306 5.825240 -10.25639      13.79867 
1 1 1 11  8  23 o 54.57982 7.102554 267.2159       64.63021 502.6377       136.7451 199.5007       73.33845 72.87544 11.35849 46.12342 9.622529 26.75203       14.88652 
1 1 1 11  8  24 o 103.0367 4.744387 922.7206       83.47833 908.9976       150.1121 928.8646       100.4418 99.75705 8.905553 102.8118 5.743942 -3.054703      10.59725 
1 1 1 11  9  0  o 66.41682 6.392160 381.1222       71.60295 353.5663       251.9072 383.5442       74.68349 63.99752 20.42789 66.59628 6.656241 -2.598755      21.48498 
1 1 1 11  9  1  o 227.7065 5.136394 4435.354       199.7265 4486.242       289.7894 4389.309       275.6523 228.7790 7.417616 226.3269 7.132201 2.452103       10.29025 
1 1 1 11  9  2  o 132.7967 4.571756 1508.133       103.6746 1437.070       149.5971 1573.803       143.8100 129.3286 6.797557 135.5657 6.212087 -6.237091      9.208518 
1 1 1 11  9  3  o 139.8285 4.008550 1671.659       95.71610 1763.823       142.2592 1595.425       129.3814 143.5257 5.804286 136.5189 5.549798 7.006760       8.030567 
1 1 1 11  9  4  o 214.2379 5.197045 3928.648       190.1318 3920.199       274.7086 3936.417       263.4204 213.7167 7.527172 214.2054 7.201403 -0.4886627     10.41722 
1 1 1 11  9  5  o 411.0739 7.662858 14513.33       537.9137 14530.52       777.2108 14497.52       745.2454 409.9981 11.10082 409.7313 10.65119 0.2668152      15.38428 
1 1 1 11  9  6  o 99.13686 4.366570 840.8818       73.92264 835.7357       108.0779 845.4056       101.3326 98.50428 6.460897 99.13177 6.014403 -0.6274948     8.827018 
1 1 1 11  9  7  o 233.9078 5.277410 4686.656       210.7984 4844.848       305.6389 4543.138       291.1189 237.4249 7.538421 229.9380 7.414087 7.486893       10.57339 
1 1 1 11  9  8  o 91.87514 4.049810 722.2247       63.53815 700.6025       105.5288 734.5204       79.57925 90.05003 6.915356 92.46323 5.059161 -2.413200      8.568387 
1 1 1 11  9  9  o 154.1871 3.946058 2034.180       103.8995 1853.080       174.8248 2133.074       129.1899 146.8339 6.972281 157.8111 4.793902 -10.97719      8.461335 
1 1 1 11  9  10 o 127.1981 3.890507 1384.480       84.50623 1482.101       144.3614 1333.590       104.2310 131.3562 6.435739 124.7589 4.892415 6.597298       8.084210 
1 1 1 11  9  11 f 145.1803 14.42085 1873.435       352.7892 1340.800       601.8890 2152.194       435.4281 115.3580 30.19977 154.6803 16.75233 -39.32236      34.53500 
1 1 1 11  9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  9  13 o 267.1248 5.059972 6117.933       230.8151 5894.909       400.2586 6229.049       282.5222 261.0506 8.978712 269.2751 6.144045 -8.224487      10.87964 
1 1 1 11  9  14 o 104.3309 4.349030 932.4619       77.48313 699.2909       127.1138 1070.322       97.74065 89.56723 8.409236 111.7061 5.123849 -22.13890      9.847288 
1 1 1 11  9  15 o 123.5020 4.356955 1307.372       91.88802 1273.525       156.6644 1325.121       113.4519 121.1844 7.609072 124.2161 5.348502 -3.031715      9.300776 
1 1 1 11  9  16 o 75.38384 5.232752 490.8467       66.94407 631.8898       135.5195 445.3206       76.99387 84.56302 9.552120 71.58116 6.365184 12.98186       11.47861 
1 1 1 11  9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  9  18 o 112.5597 4.421730 1089.291       84.99178 1223.751       156.1174 1032.653       101.3231 118.2157 7.776881 109.4042 5.423412 8.811523       9.481206 
1 1 1 11  9  19 o 145.1716 4.358029 1813.756       108.0373 1708.055       191.4557 1863.140       130.8633 139.3280 8.081604 146.8836 5.217262 -7.555557      9.619363 
1 1 1 11  9  20 o 77.20326 5.253015 517.9836       68.84240 512.6145       126.3412 520.2510       82.10128 75.07946 10.11134 77.08251 6.292119 -2.003052      11.90924 
1 1 1 11  9  21 o 33.45115 11.32753 98.39426       77.02892 280.9721       107.0841 -97.37819      110.8860 54.27040 11.88395 23.34149 10.95782 30.92891       16.16484 
1 1 1 11  9  22 f 24.81617 10.73817 1.605875       83.64800 -27.55542      126.8092 24.06853       111.2955 28.32703 12.69305 29.63132 12.59500 -1.304291      17.88148 
1 1 1 11  9  23 o 28.88961 9.380750 74.93546       52.95315 4.452927       126.9858 89.77145       58.26030 29.85827 13.07047 31.23868 9.806875 -1.380417      16.34050 
1 1 1 11  9  24 o 61.28837 6.136922 334.2182       63.36580 216.8872       110.0954 392.3385       77.48664 46.15736 13.26405 66.07798 6.972288 -19.92062      14.98492 
1 1 1 11  10 0  o 190.7132 4.176122 3110.311       136.0053 3105.562       221.8115 3113.171       172.1671 190.3224 6.824834 190.7123 5.286516 -0.3898163     8.632822 
1 1 1 11  10 1  o 237.3515 4.768664 4820.394       193.2817 4710.498       330.3585 4877.589       238.3294 234.1312 8.262742 238.6272 5.848651 -4.496002      10.12322 
1 1 1 11  10 2  o 150.1352 4.120878 1927.850       105.6511 1770.134       170.1905 2026.737       134.7619 143.6399 6.938385 153.8660 5.128880 -10.22615      8.628244 
1 1 1 11  10 3  o 171.2007 4.710650 2508.420       137.7172 2526.754       199.4290 2491.708       190.4072 171.6070 6.805365 170.4443 6.541824 1.162689       9.439728 
1 1 1 11  10 4  o 33.03428 7.195817 97.33164       39.44378 111.9543       60.18594 86.32279       52.22184 35.45754 9.672001 31.36779 9.170442 4.089756       13.32834 
1 1 1 11  10 5  o 233.5900 5.127409 4673.338       204.5286 4637.486       302.5783 4703.500       277.5358 232.2562 7.629016 234.0405 6.944263 -1.784286      10.31623 
1 1 1 11  10 6  o 53.86438 5.974700 251.8780       54.03073 266.2673       79.10371 239.2938       73.97578 54.91932 8.726621 52.01982 8.630056 2.899490       12.27321 
1 1 1 11  10 7  o 94.85329 4.795785 772.5444       77.42867 783.1417       112.8358 763.1136       106.4448 95.20622 6.989171 94.02370 6.672906 1.182526       9.663136 
1 1 1 11  10 8  o 86.97544 4.323662 647.6299       64.21705 707.2717       103.9268 610.7938       81.67494 90.46776 6.776387 84.19051 5.714830 6.277245       8.864463 
1 1 1 11  10 9  o 56.66813 5.433447 277.9124       51.93486 211.9089       82.25426 321.6694       66.97279 48.54845 10.24362 60.83622 6.549887 -12.28777      12.15865 
1 1 1 11  10 10 o 150.0142 23.65115 2128.139       585.8096 0.000000       0.000000 2128.139       585.8096 ?        ?        150.0142 23.65115 0.000000       23.65115 
1 1 1 11  10 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  10 12 o 69.87912 4.826972 420.5397       57.24711 379.0346       98.56795 441.6663       70.32343 65.58773 9.040881 71.48679 5.810953 -5.899063      10.74731 
1 1 1 11  10 13 o 153.6855 4.262809 2023.253       111.8744 1998.670       187.8655 2036.761       139.2593 152.2869 7.224081 154.0622 5.293295 -1.775345      8.955798 
1 1 1 11  10 14 o 122.9122 4.345130 1295.059       91.20101 1224.352       157.3711 1330.815       111.9097 118.7401 7.804617 124.4818 5.264532 -5.741737      9.414209 
1 1 1 11  10 15 o 22.03575 8.721884 23.63785       48.69765 -78.83954      104.6082 51.99034       55.02340 23.78435 10.98770 26.46913 9.531713 -2.684778      14.54589 
1 1 1 11  10 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  10 17 o 33.10843 8.747766 99.57867       50.20009 86.80437       108.7430 103.0383       56.59105 35.06793 13.25892 33.71274 9.449867 1.355194       16.28186 
1 1 1 11  10 18 o 143.9590 4.349145 1783.545       106.9165 1770.867       192.0973 1789.236       128.6914 141.9353 7.957628 143.9340 5.235813 -1.998718      9.525627 
1 1 1 11  10 19 o 34.68686 9.640120 110.6243       59.15676 351.7064       128.4036 45.66624       66.65168 60.88716 12.75783 26.77526 10.31759 34.11190       16.40777 
1 1 1 11  10 20 o 86.64946 5.066864 652.6416       74.64686 659.5048       134.1993 649.5668       89.82532 85.33073 9.363513 86.08585 6.150841 -0.7551117     11.20304 
1 1 1 11  10 21 o 68.23695 5.729297 409.0617       66.14308 367.0009       123.7812 425.8713       78.25174 61.70944 12.17872 69.28595 6.697258 -7.576508      13.89872 
1 1 1 11  10 22 o 63.25647 5.899999 353.2747       62.99667 169.2659       118.0809 426.4866       74.48200 41.76009 14.02541 69.37514 6.357751 -27.61505      15.39913 
1 1 1 11  10 23 o 19.71974 9.253662 -67.96793      78.93629 -81.91924      110.5027 -53.43098      112.7982 23.51653 11.00762 25.08052 11.52225 -1.563988      15.93518 
1 1 1 11  11 0  o 164.1040 4.099353 2303.733       114.8779 2260.478       189.5782 2328.833       144.4114 162.2825 6.840922 164.9075 5.128129 -2.625015      8.549616 
1 1 1 11  11 1  f 209.7402 4.329926 3764.275       155.0829 4080.112       258.0390 3585.683       194.0369 217.9916 6.931761 204.5606 5.554696 13.43102       8.882791 
1 1 1 11  11 2  o 263.2174 5.044841 5933.723       226.7587 6193.542       379.9416 5789.970       282.6108 268.2228 8.295055 259.7741 6.370756 8.448700       10.45918 
1 1 1 11  11 3  f 87.74755 4.105959 658.8278       61.52499 608.7394       96.53633 693.0892       79.84086 83.92015 6.794635 89.78960 5.229762 -5.869453      8.574233 
1 1 1 11  11 4  o 81.07418 4.730425 564.8084       65.20709 528.1207       99.59986 592.3296       86.26453 77.98888 7.574193 82.85743 6.140461 -4.868546      9.750572 
1 1 1 11  11 5  o 156.2158 4.111067 2088.561       109.6684 2074.260       179.0771 2097.143       138.7257 155.3698 6.749501 156.4265 5.193313 -1.056793      8.516235 
1 1 1 11  11 6  o 280.0033 5.538507 6724.249       264.8243 6592.327       392.5868 6834.401       358.7346 276.4691 8.315475 281.7765 7.455324 -5.307373      11.16821 
1 1 1 11  11 7  o 181.7023 4.896401 2829.354       151.9285 2865.528       225.5477 2799.308       205.5594 182.4641 7.238673 180.4520 6.670734 2.012115       9.843632 
1 1 1 11  11 8  o 121.9274 10.74830 1302.228       221.5018 1433.921       499.9553 1270.065       247.0739 121.9654 24.84813 119.9565 12.23267 2.008850       27.69599 
1 1 1 11  11 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  11 11 o 34.21118 8.232137 105.1371       47.51006 75.19527       78.87271 122.1881       59.51988 31.76985 11.41498 36.84460 9.422609 -5.074755      14.80160 
1 1 1 11  11 12 o 146.8127 4.310488 1846.846       108.0667 1831.314       185.6875 1854.801       132.8903 145.4887 7.499483 146.9970 5.293987 -1.508255      9.179790 
1 1 1 11  11 13 o 121.1520 4.455247 1258.816       92.17315 1314.938       160.6350 1231.267       112.5446 123.0565 7.682639 119.6791 5.506866 3.377403       9.452435 
1 1 1 11  11 14 o 113.9246 4.532194 1114.399       88.17142 914.5314       158.6375 1203.742       106.0628 101.9299 9.213454 118.2902 5.250643 -16.36034      10.60457 
1 1 1 11  11 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  11 16 o 15.45292 7.110612 -31.68118      43.19275 -123.8383      102.8270 -11.93681      47.59532 21.43138 10.20587 18.04650 7.948177 3.384876       12.93574 
1 1 1 11  11 17 o 48.22400 6.314924 205.1973       50.75401 209.2342       111.4678 204.1414       57.00612 47.02689 13.29098 47.87388 7.195605 -0.8469925     15.11379 
1 1 1 11  11 18 o 73.03065 5.459116 464.4610       67.58920 435.3018       143.8757 472.7184       76.56349 67.80972 12.89622 73.48727 6.157861 -5.677559      14.29096 
1 1 1 11  11 19 o 42.99539 7.897583 168.1369       55.84850 272.2717       110.4831 132.3951       64.72710 53.21775 12.38906 37.63766 9.927772 15.58009       15.87607 
1 1 1 11  11 20 o 56.55462 6.610303 284.6408       62.63529 284.2852       118.0135 284.7803       73.90331 53.74200 13.00074 56.08208 7.938566 -2.340080      15.23286 
1 1 1 11  11 21 o 53.16750 6.804003 253.2635       60.35793 282.4591       112.0218 241.3205       71.64738 53.58507 12.47535 51.23467 8.486086 2.350395       15.08801 
1 1 1 11  11 22 o 84.64722 4.739573 625.4802       68.23464 483.4412       124.9455 685.8458       81.45377 71.33359 10.57759 88.35471 5.424821 -17.02112      11.88756 
1 1 1 11  12 0  o 136.8954 4.150379 1603.916       97.02383 1670.637       143.0173 1547.026       132.0614 139.5330 6.002190 134.2982 5.758424 5.234787       8.317796 
1 1 1 11  12 1  o 55.79665 5.418551 269.4047       50.97789 228.8864       77.18090 300.7602       67.89563 50.70509 9.254684 58.75930 6.897691 -8.054214      11.54241 
1 1 1 11  12 2  o 190.5242 4.277393 3107.589       139.1654 3324.047       230.5111 2983.445       174.5694 196.6383 6.864704 186.5215 5.480719 10.11688       8.784215 
1 1 1 11  12 3  o 100.9098 3.878842 871.3979       66.84016 935.9001       103.9957 825.9988       87.24723 104.2647 5.864668 98.01791 5.231390 6.246788       7.858865 
1 1 1 11  12 4  o 171.8896 4.523313 2530.736       132.7725 2613.088       211.4545 2477.136       170.5944 174.2598 7.105879 169.8742 5.880786 4.385620       9.223728 
1 1 1 11  12 5  o 182.2970 4.101802 2845.114       127.6898 2553.046       210.3389 3015.566       160.6867 172.2152 7.152307 187.5533 5.017104 -15.33813      8.736523 
1 1 1 11  12 6  o 153.0831 10.57935 2046.999       274.8625 2521.623       600.2330 1921.063       309.1852 164.3547 21.93369 147.6631 12.37566 16.69157       25.18420 
1 1 1 11  12 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  12 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  12 9  o 202.7501 5.444964 3528.409       188.5202 3763.327       269.5858 3303.591       263.7265 208.8836 7.557718 195.6196 7.894770 13.26396       10.92916 
1 1 1 11  12 10 o 140.8389 4.447880 1699.861       106.9738 1656.151       169.9148 1728.562       137.6859 138.4205 7.213310 141.8582 5.683723 -3.437714      9.183494 
1 1 1 11  12 11 o 209.5753 4.713889 3767.870       168.7025 3865.450       295.8240 3720.840       205.3714 211.2695 8.199638 208.0172 5.781476 3.252304       10.03292 
1 1 1 11  12 12 o 136.6326 4.453193 1601.876       103.9029 1592.149       181.1442 1606.645       126.8438 135.2905 7.874765 136.6709 5.434896 -1.380341      9.568177 
1 1 1 11  12 13 o 156.4578 4.507010 2102.847       120.4169 1938.445       220.4752 2172.737       143.7515 148.7488 8.717761 158.8524 5.299277 -10.10359      10.20204 
1 1 1 11  12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  12 15 o 66.28883 5.716609 382.6584       64.07860 233.3750       142.0208 420.8167       71.80260 49.69177 15.26469 69.44303 6.117409 -19.75126      16.44486 
1 1 1 11  12 16 o 65.68599 5.466308 375.7733       60.75849 471.9928       119.6032 342.3056       70.53812 72.18108 9.969359 62.35002 6.731810 9.831059       12.02936 
1 1 1 11  12 17 o 77.76894 5.084683 525.2814       67.15442 405.4472       147.3501 556.6968       75.44515 64.89730 13.72484 79.93979 5.561337 -15.04249      14.80877 
1 1 1 11  12 18 o 84.51249 4.891991 620.5318       70.29868 541.0581       134.0305 650.6918       82.56717 76.53799 10.53387 86.30933 5.632947 -9.771339      11.94540 
1 1 1 11  12 19 o 55.09200 6.493135 270.0579       59.91317 353.9443       134.5417 249.3082       66.91406 59.75585 13.50285 52.48194 7.694846 7.273907       15.54148 
1 1 1 11  12 20 o 20.24141 8.544310 7.857541       50.64388 20.31235       91.48621 2.354606       60.81130 27.04421 11.45362 21.42968 9.214087 5.614531       14.69982 
1 1 1 11  12 21 o 22.46583 9.150703 23.36330       55.24620 2.871518       115.1776 29.48680       62.96194 28.29297 12.41499 24.14303 9.793220 4.149942       15.81263 
1 1 1 11  13 0  o 185.1452 4.993842 2938.655       157.8881 2768.177       223.0337 3109.911       223.5421 179.2881 7.284790 190.1193 6.885432 -10.83116      10.02384 
1 1 1 11  13 1  o 37.06458 8.758320 123.4770       54.55556 99.01611       91.53728 136.9521       67.94056 35.41293 12.33573 39.00210 10.11541 -3.589172      15.95280 
1 1 1 11  13 2  o 235.9317 4.571933 4769.395       184.1994 4655.870       309.4669 4831.682       229.2273 232.3332 7.800114 237.2473 5.658003 -4.914063      9.636118 
1 1 1 11  13 3  o 120.6852 14.10303 1301.211       285.1673 1268.201       501.9152 1316.947       346.5313 113.4001 26.41076 120.0843 17.40615 -6.684235      31.63072 
1 1 1 11  13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  13 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  13 6  o 279.4673 5.190202 6699.973       247.6950 6627.269       420.5728 6738.583       306.4880 276.6918 8.901086 279.9267 6.411611 -3.234924      10.96987 
1 1 1 11  13 7  o 171.0929 4.646494 2509.365       135.7561 2558.245       222.3015 2480.293       171.4365 172.1890 7.560232 169.8908 5.909237 2.298141       9.595634 
1 1 1 11  13 8  o 125.3452 4.482470 1346.635       95.94604 1422.517       152.2000 1296.592       123.5980 128.2966 6.973195 122.8234 5.892889 5.473190       9.129709 
1 1 1 11  13 9  o 156.1874 4.592359 2092.256       122.4853 1897.056       188.8141 2234.085       160.9451 147.9894 7.495854 161.1701 5.847786 -13.18073      9.507072 
1 1 1 11  13 10 o 146.8518 4.236320 1849.432       106.2356 1847.265       206.4984 1850.212       123.8880 145.6251 8.338496 146.7665 4.943110 -1.141357      9.693547 
1 1 1 11  13 11 o 102.7367 4.679415 906.9185       82.09549 963.7733       146.4873 880.8851       99.12478 104.9117 8.242999 100.9253 5.775469 3.986351       10.06494 
1 1 1 11  13 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  13 13 o 149.0239 4.506707 1910.482       114.6878 1754.806       198.2207 1988.822       140.6141 141.3655 8.246943 151.7941 5.424652 -10.42862      9.871116 
1 1 1 11  13 14 o 155.3684 4.424145 2078.145       117.3800 1860.689       205.0777 2184.094       143.1469 145.3053 8.299278 159.0060 5.271892 -13.70068      9.832134 
1 1 1 11  13 15 o 107.8443 4.708931 1003.547       86.72046 1103.294       167.6514 967.1087       101.3297 111.2761 8.897145 105.4837 5.645826 5.792358       10.53729 
1 1 1 11  13 16 o 84.17958 5.027548 615.3687       71.94096 617.8665       132.6155 614.3270       85.63686 82.58041 9.582152 83.80408 6.024222 -1.223671      11.31852 
1 1 1 11  13 17 f 73.44114 4.983460 469.7839       62.12900 484.5284       125.6628 465.0137       71.47602 72.27383 10.48808 72.81432 5.796326 -0.5404816     11.98321 
1 1 1 11  13 18 o 74.54498 5.231030 486.0592       66.16806 380.7959       137.6581 517.6870       75.45664 61.97935 13.39688 76.73683 5.801114 -14.75748      14.59895 
1 1 1 11  13 19 o 35.31172 8.620770 116.8133       51.53056 206.1655       97.32561 82.00768       60.74342 45.70514 12.22960 30.23506 10.05834 15.47007       15.83456 
1 1 1 11  13 20 o 20.35269 8.717681 4.065772       54.06477 -87.28073      113.9482 30.60394       61.41820 23.67295 11.11172 24.03060 9.698686 -0.3576508     14.74906 
1 1 1 11  14 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  14 3  o 48.37114 6.975215 205.5851       55.95103 212.2442       89.84933 201.3671       71.50800 48.38337 11.10924 47.42833 9.160707 0.9550323      14.39909 
1 1 1 11  14 4  o 165.6170 4.376256 2350.485       123.7683 2420.729       204.0531 2309.601       155.6745 167.5720 7.130826 163.9882 5.559083 3.583832       9.041686 
1 1 1 11  14 5  o 95.65639 4.506785 784.3465       73.61779 814.5424       116.0887 764.0350       95.21074 96.95475 7.060127 94.08752 5.956607 2.867226       9.237238 
1 1 1 11  14 6  o 107.2985 4.380848 986.8878       80.27008 1124.569       128.3027 898.3380       102.8946 114.0661 6.615250 102.0364 5.930802 12.02975       8.884590 
1 1 1 11  14 7  o 107.2561 4.568093 986.9351       83.66793 1087.637       140.1854 931.2152       104.2770 111.9344 7.375260 103.8552 5.904129 8.079254       9.447392 
1 1 1 11  14 8  o 163.2919 4.741959 2289.916       132.2283 2209.232       226.8919 2331.413       162.7166 159.2089 8.374891 164.5312 5.791376 -5.322311      10.18228 
1 1 1 11  14 9  o 75.60751 6.168799 496.7893       78.95248 524.4188       124.8212 478.3629       101.9346 76.73176 9.745831 73.67726 8.243152 3.054497       12.76443 
1 1 1 11  14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  14 12 o 35.28319 9.973386 113.7885       62.76068 143.2924       129.2764 104.6905       71.78806 41.10942 14.63062 34.31216 10.90010 6.797268       18.24465 
1 1 1 11  14 13 o 131.5306 4.081062 1488.568       91.66466 1743.010       175.7753 1393.525       107.4289 140.9561 7.327781 127.0324 4.952272 13.92364       8.844285 
1 1 1 11  14 14 o 83.45047 4.930916 604.0742       69.95610 558.7927       131.2974 622.0246       82.66724 78.35084 10.04447 84.44543 5.767131 -6.094597      11.58237 
1 1 1 11  14 15 o 101.7161 4.286377 893.0128       74.45296 696.5118       146.5588 961.3635       86.43726 87.29504 10.01260 105.3920 4.802766 -18.09693      11.10490 
1 1 1 11  14 16 o 96.05076 4.892400 802.6278       79.98050 542.6508       152.8487 900.6508       93.85515 75.21308 12.32776 101.5456 5.432156 -26.33250      13.47152 
1 1 1 11  14 17 o 31.31643 9.454690 90.86118       54.80547 127.3691       95.23344 72.78323       67.01476 37.00016 12.59482 29.48618 10.52963 7.513983       16.41653 
1 1 1 11  14 18 o 23.71911 8.898586 40.93233       48.77361 186.8760       94.59386 -11.91791      56.92379 43.42002 12.23398 19.53046 8.642287 23.88956       14.97863 
1 1 1 11  14 19 o 22.09543 8.818166 27.07175       50.15995 187.6854       115.4681 -10.28722      55.68887 42.82433 13.84740 19.36717 8.560120 23.45716       16.27962 
1 1 1 11  15 0  o 52.14100 7.346942 239.1094       63.60294 337.1857       106.5325 184.7885       79.28366 61.34640 10.54965 45.14874 10.48439 16.19766       14.87339 
1 1 1 11  15 1  o 143.9151 4.454914 1775.550       109.4832 1854.654       186.3114 1733.827       135.3105 146.3676 7.479025 142.0522 5.578041 4.315460       9.330078 
1 1 1 11  15 2  o 36.48402 10.02428 119.6862       64.37668 151.6244       102.4611 98.85452       82.74973 41.49620 13.00188 34.65627 11.74061 6.839931       17.51830 
1 1 1 11  15 3  o 136.5350 5.153016 1601.084       120.1455 1527.727       168.4451 1677.051       171.4166 132.7428 7.461229 139.1586 7.238398 -6.415894      10.39540 
1 1 1 11  15 4  f 95.37930 4.940341 783.3470       80.19027 839.7491       126.1825 745.1348       103.8610 98.21709 7.582022 92.70775 6.603621 5.509346       10.05459 
1 1 1 11  15 5  o 37.04331 7.988882 123.5561       49.04979 34.54747       76.16593 186.6256       64.11424 27.16971 10.85849 45.61439 8.544971 -18.44468      13.81750 
1 1 1 11  15 6  f 27.67262 9.579045 61.19146       55.15497 39.66669       73.65594 88.66794       83.21832 27.29287 10.75068 33.36687 11.75307 -6.074003      15.92833 
1 1 1 11  15 7  o 233.5183 4.918159 4692.825       196.1216 4539.222       334.9028 4772.994       241.9477 227.8280 8.608150 235.0418 6.028016 -7.213837      10.50891 
1 1 1 11  15 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  15 9  o 13.03808 6.535875 -177.0326      62.56512 -213.5378      97.88340 -151.8162      81.35302 17.75480 8.778555 17.04778 8.343306 0.7070198      12.11089 
1 1 1 11  15 10 o 108.3732 5.084063 1013.880       94.08810 1031.482       166.1943 1005.577       114.1411 107.6687 9.124930 107.4578 6.247129 0.2108994      11.05853 
1 1 1 11  15 11 o 70.50150 6.258477 435.4131       74.56409 358.1010       141.5866 465.0839       87.71285 60.99733 13.90225 72.60373 7.168195 -11.60640      15.64147 
1 1 1 11  15 12 o 90.13539 4.635377 703.1921       71.10658 598.0919       136.0164 742.7183       83.41261 81.08912 10.03702 92.44913 5.305780 -11.36002      11.35311 
1 1 1 11  15 13 o 78.14581 4.998326 531.0466       66.35159 643.8423       122.4577 484.1694       78.94429 84.66135 8.589217 74.20688 6.288969 10.45448       10.64546 
1 1 1 11  15 14 o 92.46725 4.384276 739.3764       69.22895 842.5075       129.3001 697.9311       81.96748 97.07704 7.867411 89.39620 5.394608 7.680840       9.539285 
1 1 1 11  15 15 o 78.45245 4.824868 536.5361       64.32553 625.4215       119.2349 500.0463       76.39658 82.99688 8.534380 75.30831 5.990089 7.688568       10.42674 
1 1 1 11  15 16 o 23.75360 9.091436 38.37426       51.52034 -172.3489      92.97296 131.7577       61.89215 17.90232 8.793778 37.23816 9.653057 -19.33583      13.05803 
1 1 1 11  15 17 o 32.50001 9.412921 99.91480       55.25038 84.77190       117.1376 104.2476       62.65816 33.90017 13.49249 33.16887 10.13079 0.7313042      16.87247 
1 1 1 11  16 0  o 22.79866 9.315500 17.64366       57.48079 29.82787       96.41724 10.92545       71.59502 29.31348 12.03116 24.38924 10.21977 4.924242       15.78583 
1 1 1 11  16 1  o 138.3957 8.531554 1674.953       200.6459 0.000000       0.000000 1674.953       200.6459 ?        ?        138.3957 8.531554 0.000000       8.531554 
1 1 1 11  16 2  o 167.4191 4.421995 2407.322       126.4227 2344.963       211.2305 2442.128       157.8078 164.3253 7.527491 168.3585 5.488979 -4.033188      9.316223 
1 1 1 11  16 3  o 140.8338 4.544853 1704.872       109.3021 1727.111       183.3136 1692.604       136.1523 140.6926 7.658792 140.0607 5.692546 0.6318512      9.542650 
1 1 1 11  16 4  o 119.2587 4.615718 1223.404       94.00072 1101.744       161.0821 1286.229       115.7542 111.8956 8.493462 122.0811 5.552471 -10.18551      10.14736 
1 1 1 11  16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  16 7  o 84.29749 5.431620 616.7423       77.77286 578.6221       129.0450 638.4865       97.46181 80.26948 9.605087 85.40972 6.736986 -5.140244      11.73221 
1 1 1 11  16 8  o 108.2708 4.786278 1011.504       88.49343 1043.168       149.1837 994.3136       109.9206 108.6239 8.100813 106.8515 6.048987 1.772423       10.11007 
1 1 1 11  16 9  o 78.06928 5.626759 531.2455       74.51078 747.2573       125.6850 414.1854       92.52296 91.73055 8.107023 68.10158 8.115767 23.62897       11.47125 
1 1 1 11  16 10 o 51.37086 7.661126 237.0122       65.15150 265.2530       105.7099 219.7140       82.73277 52.79730 11.99723 48.54131 10.29967 4.255989       15.81192 
1 1 1 11  16 11 o 93.08203 5.068618 753.3186       80.26346 777.5995       128.4884 737.7805       102.7852 93.27589 8.148434 91.53834 6.620106 1.737549       10.49870 
1 1 1 11  16 12 f 51.88418 7.121648 241.6404       61.43381 192.4055       101.1210 270.4434       77.34350 44.39695 12.69807 54.36508 8.618592 -9.968128      15.34670 
1 1 1 11  16 13 o 66.70714 5.427697 390.7448       61.29253 416.7555       109.9726 379.0244       73.82133 66.86409 9.933291 65.21562 6.725205 1.648468       11.99578 
1 1 1 11  16 14 o 123.8692 3.971450 1326.661       84.00681 1386.308       161.0543 1304.367       98.46239 124.3563 7.620829 122.5150 4.706297 1.841377       8.956912 
1 1 1 11  16 15 o 17.99147 7.939458 -9.451824      47.72006 27.51464       90.47430 -23.69938      56.16832 27.24587 11.45627 18.45703 8.343346 8.788834       14.17242 
1 1 1 11  16 16 o 21.23665 8.493024 24.39783       46.63020 138.4320       93.50612 -13.34799      53.79687 37.55843 12.47877 18.75217 8.344567 18.80626       15.01171 
1 1 1 11  17 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  17 2  o 104.3958 8.611409 964.9566       152.1478 0.000000       0.000000 964.9566       152.1478 ?        ?        104.3958 8.611409 0.000000       8.611409 
1 1 1 11  17 3  o 122.2424 5.398967 1291.955       112.7027 0.000000       0.000000 1291.955       112.7027 ?        ?        122.2424 5.398967 0.000000       5.398967 
1 1 1 11  17 4  o 59.90070 7.105466 317.5000       71.26473 351.0425       128.3015 302.5341       85.70090 60.93038 12.74079 57.86639 8.962539 3.063984       15.57738 
1 1 1 11  17 5  o 66.05199 5.703338 381.0975       63.69956 400.3693       113.6284 372.2654       76.92348 66.07590 10.41520 64.89192 7.055397 1.183983       12.57995 
1 1 1 11  17 6  o 30.47729 11.05819 72.99793       74.25336 1.642581       100.9805 156.9995       109.5641 27.34536 11.81549 41.22210 13.49883 -13.87674      17.93946 
1 1 1 11  17 7  o 89.41463 5.134951 694.6852       78.07661 866.8986       151.1481 632.0095       91.18405 98.18369 9.119067 84.88472 6.336202 13.29897       11.10427 
1 1 1 11  17 8  o 61.30352 6.550133 332.4360       67.50910 256.4691       139.7382 355.5645       77.10400 50.75115 15.04656 63.17218 7.280668 -12.42103      16.71547 
1 1 1 11  17 9  o 14.94332 7.074586 -53.55506      48.00105 30.08586       82.87281 -95.78236      58.88428 26.97030 11.12163 15.03778 7.301067 11.93252       13.30400 
1 1 1 11  17 10 o 22.11069 8.894844 23.93810       51.47732 -30.06152      88.10355 51.92820       63.43081 23.31691 10.50309 26.78270 10.12643 -3.465784      14.58970 
1 1 1 11  17 11 o 43.29509 8.383572 173.7420       59.74302 242.1680       97.65291 132.8113       75.52650 49.79283 11.68542 37.22974 11.06740 12.56308       16.09461 
1 1 1 11  17 12 o 32.89075 9.349349 101.9254       54.99292 -22.84411      94.09739 166.6465       67.77140 24.41082 10.93642 41.84519 9.677091 -17.43437      14.60313 
1 1 1 11  17 13 o 33.45990 9.048208 106.1174       52.94279 3.898798       95.89777 150.9309       63.49623 26.17378 11.41054 39.74659 9.486741 -13.57281      14.83909 
1 1 1 11  17 14 o 18.19164 8.038394 -9.440291      49.07530 6.558532       90.95595 -16.01045      58.28743 25.62138 11.14192 19.33452 8.638663 6.286865       14.09854 
1 1 1 11  18 0  o 31.89568 9.209234 92.92143       52.95888 29.05379       79.47331 143.9346       71.02678 26.68650 10.93448 39.25742 10.42108 -12.57092      15.10503 
1 1 1 11  18 1  o 57.36582 6.093653 289.5636       58.78030 327.9804       93.59399 264.5415       75.53511 59.93940 9.457562 54.06754 8.458282 5.871861       12.68811 
1 1 1 11  18 2  o 76.24261 5.391912 506.7039       69.74813 464.1145       120.2489 528.2974       85.62318 71.11636 10.19320 77.49418 6.531116 -6.377815      12.10606 
1 1 1 11  18 3  o 49.20433 7.570756 217.9046       61.57370 215.0036       108.0294 219.3006       74.93776 47.13819 12.99953 48.76472 9.339053 -1.626530      16.00642 
1 1 1 11  18 4  o 31.57860 10.02520 89.86519       60.73400 141.9414       125.6867 74.00121       69.37061 40.07128 14.40848 30.06417 10.71554 10.00711       17.95626 
1 1 1 11  18 5  o 37.81746 13.04746 129.5126       102.2866 0.000000       0.000000 129.5126       102.2866 ?        ?        37.81746 13.04746 0.000000       13.04746 
1 1 1 11  18 6  f 25.66095 9.985752 41.95072       62.91098 85.93583       126.6369 27.53874       72.48852 35.29749 14.03513 25.41841 10.43215 9.879082       17.48756 
1 1 1 11  18 7  o 33.67886 11.45843 102.4411       78.82316 88.77465       107.6695 118.2248       115.7099 34.02254 13.11260 37.02291 13.74207 -3.000362      18.99434 
1 1 1 11  18 8  o 37.47651 9.374455 132.9963       59.84230 206.6220       110.5991 102.5190       71.15824 45.34791 13.37086 33.29111 10.87753 12.05679       17.23660 
1 1 1 11  18 9  o 28.14998 9.787910 68.34390       57.61736 -35.09723      131.3095 93.00913       64.11978 28.07626 12.71828 31.75786 10.32308 -3.681601      16.38050 
1 1 1 11  18 10 o 15.54229 7.322459 -50.13831      50.29348 -155.1242      129.6200 -31.53148      54.56858 23.14524 11.13738 17.60272 8.060004 5.542522       13.74790 
1 1 1 11  18 11 o 52.01019 6.491597 243.4105       56.40026 250.8242       102.9492 240.2312       67.41769 49.92483 12.18296 51.01487 8.002079 -1.090042      14.57593 
1 1 1 11  18 12 o 26.07595 9.150212 58.46895       50.40929 107.9284       94.36514 38.71917       59.63043 34.27714 12.46166 24.52934 9.669606 9.747793       15.77322 
1 1 1 11  19 0  o 37.25699 9.094376 129.9910       57.35426 69.36680       97.15405 162.4209       71.05756 31.68112 12.38681 41.38743 10.13494 -9.706310      16.00469 
1 1 1 11  19 1  o 101.4480 5.054217 894.9462       87.55872 931.5505       154.6036 877.6616       106.2387 101.1759 9.043622 99.80127 6.265474 1.374680       11.00197 
1 1 1 11  19 2  o 77.86066 6.114402 535.0909       80.64305 584.3031       139.2317 510.2472       98.92606 78.94888 10.59471 75.25433 7.811810 3.694550       13.16329 
1 1 1 11  19 3  o 58.91043 6.786685 310.6143       67.02515 524.2396       113.0472 194.8125       83.23215 75.59669 8.929409 44.87405 10.95675 30.72265       14.13452 
1 1 1 11  19 4  o 30.77990 10.27681 85.64885       63.39271 352.8309       124.6918 -7.478792      73.61624 59.64562 12.63513 22.56734 9.913445 37.07829       16.05998 
1 1 1 11  19 5  o 21.48719 8.946783 14.96194       54.37297 111.5230       101.8427 -23.53504      64.30463 35.39865 12.93429 19.92327 8.973877 15.47538       15.74250 
1 1 1 11  19 6  o 57.43082 6.856141 296.8253       65.91068 361.3148       137.8006 277.6953       75.05252 59.30200 13.85705 54.90858 8.260121 4.393417       16.13219 
1 1 1 11  19 7  o 61.65374 10.32149 362.6975       104.8272 0.000000       0.000000 362.6975       104.8272 ?        ?        61.65374 10.32149 0.000000       10.32149 
1 1 1 11  19 8  o 53.66780 10.81654 280.9792       95.70538 271.4695       142.4538 288.8026       129.2091 49.99303 15.27642 52.28231 14.13414 -2.289284      20.81209 
1 1 1 11  19 9  o 55.22842 6.983161 277.2254       64.38749 262.3712       120.8784 283.1095       76.07872 49.77515 13.76082 55.13992 8.340227 -5.364765      16.09097 
1 1 1 11  20 0  o 43.04470 9.764255 177.8991       70.12392 248.5150       122.5004 143.4809       85.52241 48.78724 13.98310 38.19750 11.86402 10.58974       18.33800 
1 1 1 11  20 1  o 45.36366 8.951526 194.1141       66.88120 81.76165       124.4245 239.7669       79.31377 34.02647 13.77933 50.21847 9.598659 -16.19200      16.79298 
1 1 1 11  20 2  o 53.25403 8.229147 262.3816       72.42320 349.3875       129.7659 223.0204       87.28112 58.38388 13.31122 47.67888 10.95065 10.70500       17.23675 
1 1 1 11  20 3  o 26.79267 10.07711 55.64349       62.62512 194.9462       102.7763 -26.62220      78.98102 43.63275 12.89617 21.90499 9.898560 21.72776       16.25708 
1 1 1 11  20 4  o 55.71886 7.445336 284.0611       69.06970 263.2617       115.2446 295.7201       86.28308 50.27200 13.24066 55.83300 9.382455 -5.560997      16.22792 
1 1 1 11  20 5  o 22.48337 9.592275 10.88880       64.99131 -41.27340      127.2310 29.30478       75.59840 26.84333 12.29705 25.41083 10.56239 1.432499       16.21054 
1 1 1 11  20 6  o 20.31153 8.963704 -7.620430      60.83378 147.5799       104.9529 -86.14501      74.65363 38.22981 13.21490 17.99261 8.603486 20.23720       15.76875 
1 1 1 11  21 0  o 31.23909 11.24989 89.34918       76.64901 202.6018       159.2746 55.21609       87.43999 42.92775 16.08537 28.63640 11.56712 14.29135       19.81256 
1 1 1 11  21 1  o 36.98038 10.85912 136.9017       73.08191 -50.75905      166.4791 181.6981       81.33821 29.73476 13.78039 42.38671 11.10434 -12.65194      17.69761 
1 1 1 12  0  0  o 350.8076 8.799262 10539.17       526.3800 10539.17       526.3800 10539.17       526.3800 350.8076 8.799262 350.8076 8.799262 0.000000       0.000000 
1 1 1 12  0  1  o 488.1087 10.69871 20405.45       890.7968 20405.45       890.7968 20405.45       890.7968 488.1087 10.69871 488.1087 10.69871 0.000000       0.000000 
1 1 1 12  0  2  o 325.2220 6.151438 9045.688       341.3563 9045.688       341.3563 9045.688       341.3563 325.2220 6.151438 325.2220 6.151438 0.000000       0.000000 
1 1 1 12  0  3  o 277.3127 5.625127 6577.470       266.1342 6577.470       266.1342 6577.470       266.1342 277.3127 5.625127 277.3127 5.625127 0.000000       0.000000 
1 1 1 12  0  4  o 404.0105 6.828146 13959.18       470.7796 13959.18       470.7796 13959.18       470.7796 404.0105 6.828146 404.0105 6.828146 0.000000       0.000000 
1 1 1 12  0  5  o 120.6787 5.221109 1251.028       107.1376 1251.028       107.1376 1251.028       107.1376 120.6787 5.221109 120.6787 5.221109 0.000000       0.000000 
1 1 1 12  0  6  o 91.86289 5.193471 727.8018       80.87482 727.8018       80.87482 727.8018       80.87482 91.86289 5.193471 91.86289 5.193471 0.000000       0.000000 
1 1 1 12  0  7  o 121.1671 4.675525 1259.794       96.41532 1259.794       96.41532 1259.794       96.41532 121.1671 4.675525 121.1671 4.675525 0.000000       0.000000 
1 1 1 12  0  8  o 64.00788 8.353787 367.9299       87.00734 367.9299       87.00734 367.9299       87.00734 64.00788 8.353787 64.00788 8.353787 0.000000       0.000000 
1 1 1 12  0  9  o 143.4256 6.297378 1768.908       153.5603 1768.908       153.5603 1768.908       153.5603 143.4256 6.297378 143.4256 6.297378 0.000000       0.000000 
1 1 1 12  0  10 o 124.9696 5.189920 1341.814       110.3216 1341.814       110.3216 1341.814       110.3216 124.9696 5.189920 124.9696 5.189920 0.000000       0.000000 
1 1 1 12  0  11 o 376.9268 7.329885 12175.41       471.3955 12175.41       471.3955 12175.41       471.3955 376.9268 7.329885 376.9268 7.329885 0.000000       0.000000 
1 1 1 12  0  12 o 123.1438 4.861218 1302.444       101.8637 1302.444       101.8637 1302.444       101.8637 123.1438 4.861218 123.1438 4.861218 0.000000       0.000000 
1 1 1 12  0  13 o 60.93168 7.842510 333.4892       77.88809 333.4892       77.88809 333.4892       77.88809 60.93168 7.842510 60.93168 7.842510 0.000000       0.000000 
1 1 1 12  0  14 o 47.72163 10.23936 220.2700       73.25925 220.2700       73.25925 220.2700       73.25925 47.72163 10.23936 47.72163 10.23936 0.000000       0.000000 
1 1 1 12  0  15 o 161.3210 18.26995 2355.790       486.6546 2355.790       486.6546 2355.790       486.6546 161.3210 18.26995 161.3210 18.26995 0.000000       0.000000 
1 1 1 12  0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0  17 o 118.7042 5.711306 1214.527       115.1610 1214.527       115.1610 1214.527       115.1610 118.7042 5.711306 118.7042 5.711306 0.000000       0.000000 
1 1 1 12  0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0  19 o 13.09613 9.019371 -48.76937      66.67902 -48.76937      66.67902 -48.76937      66.67902 13.09613 9.019371 13.09613 9.019371 0.000000       0.000000 
1 1 1 12  0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0  21 o 99.73437 5.852993 862.9454       98.89802 862.9454       98.89802 862.9454       98.89802 99.73437 5.852993 99.73437 5.852993 0.000000       0.000000 
1 1 1 12  0  22 o 25.61917 13.72727 83.93597       82.39877 83.93597       82.39877 83.93597       82.39877 25.61917 13.72727 25.61917 13.72727 0.000000       0.000000 
1 1 1 12  0  23 o 41.52522 13.71649 193.7998       86.42879 193.7998       86.42879 193.7998       86.42879 41.52522 13.71649 41.52522 13.71649 0.000000       0.000000 
1 1 1 12  0  24 o 101.5942 6.830704 905.3663       117.2753 905.3663       117.2753 905.3663       117.2753 101.5942 6.830704 101.5942 6.830704 0.000000       0.000000 
1 1 1 12  0  25 o 149.5680 6.035113 1942.856       153.5735 1942.856       153.5735 1942.856       153.5735 149.5680 6.035113 149.5680 6.035113 0.000000       0.000000 
1 1 1 12  0  26 o 102.7804 6.800897 930.1611       118.1662 930.1611       118.1662 930.1611       118.1662 102.7804 6.800897 102.7804 6.800897 0.000000       0.000000 
1 1 1 12  1  0  o 173.7689 4.131826 2579.459       122.6072 2786.973       174.1860 2375.683       172.6103 180.5851 5.648453 166.7168 6.062970 13.86824       8.286411 
1 1 1 12  1  1  o 138.6516 4.513633 1642.402       106.8693 1660.872       175.7869 1631.573       134.6001 139.1615 7.423991 138.1693 5.704688 0.9921875      9.362644 
1 1 1 12  1  2  o 129.8266 4.128696 1439.864       91.53318 1471.434       142.2578 1417.559       119.5725 131.1964 6.349684 128.7930 5.436724 2.403458       8.359214 
1 1 1 12  1  3  o 250.6548 4.374073 5367.631       187.2251 5314.664       309.9073 5398.074       234.9465 249.2837 7.280077 251.3223 5.474394 -2.038528      9.108706 
1 1 1 12  1  4  o 375.2189 4.928638 12030.68       315.8011 11306.49       446.7682 12753.86       446.4522 363.5851 7.195720 386.1942 6.769668 -22.60904      9.879615 
1 1 1 12  1  5  o 153.0606 3.108626 2001.010       81.25195 2025.094       116.0693 1977.867       113.7801 153.9518 4.415001 152.1469 4.379264 1.804871       6.218536 
1 1 1 12  1  6  o 185.4730 3.472632 2938.647       109.9870 2850.109       160.0033 3017.961       151.4399 182.6043 5.131166 187.9200 4.719166 -5.315735      6.971327 
1 1 1 12  1  7  f 415.5163 5.836804 14766.29       414.1571 14913.19       515.7724 14499.65       694.8941 417.3914 7.236234 411.1062 9.898347 6.285217       12.26134 
1 1 1 12  1  8  f 112.0506 4.032278 1073.024       77.15543 1096.655       140.8643 1062.895       92.21881 112.9178 7.345229 111.4973 4.843434 1.420570       8.798366 
1 1 1 12  1  9  o 302.6458 5.104513 7834.790       263.8098 7978.897       436.1631 7751.658       331.2755 304.9501 8.375644 300.8739 6.447670 4.076202       10.56995 
1 1 1 12  1  10 o 414.2724 6.204471 14700.67       438.9274 14867.92       550.0333 14407.42       728.3223 416.2523 7.738030 408.9258 10.42983 7.326477       12.98686 
1 1 1 12  1  11 o 370.9302 5.112301 11777.27       323.8251 11615.65       458.0905 11938.71       457.8252 367.9002 7.291543 373.0081 7.187528 -5.107880      10.23851 
1 1 1 12  1  12 o 256.1107 4.072946 5610.498       178.1305 5571.491       254.2715 5648.090       249.6220 254.9793 5.839703 256.7494 5.693398 -1.770020      8.155789 
1 1 1 12  1  13 o 244.2014 3.966667 5101.440       165.4153 5068.139       236.0757 5133.558       231.8468 243.1600 5.685350 244.7472 5.547298 -1.587158      7.943281 
1 1 1 12  1  14 o 236.1546 4.015588 4771.928       161.9376 4867.085       233.1754 4683.273       225.0684 238.2337 5.731620 233.7080 5.639479 4.525726       8.040845 
1 1 1 12  1  15 o 141.9299 12.14004 1768.223       291.4049 1714.392       402.7012 1827.396       422.2081 137.7502 17.51549 142.1606 17.78073 -4.410370      24.95891 
1 1 1 12  1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  1  17 o 28.30623 10.65370 51.75122       70.02003 13.40143       82.43278 151.1096       132.6847 26.35626 10.99862 43.09145 14.86067 -16.73519      18.48808 
1 1 1 12  1  18 o 148.8531 3.935870 1897.188       100.0462 2058.032       149.0839 1765.408       134.9437 154.8056 5.639523 143.3968 5.510759 11.40877       7.884966 
1 1 1 12  1  19 o 50.21987 10.91149 229.3525       90.90037 121.1612       151.2417 290.5366       113.7351 41.51289 15.65083 56.36129 12.17308 -14.84841      19.82756 
1 1 1 12  1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  1  21 o 41.43711 8.514888 155.4573       58.23716 144.8681       81.11458 166.7226       83.66415 39.77801 11.37132 42.50436 11.32320 -2.726357      16.04749 
1 1 1 12  1  22 o 44.94758 7.844478 181.6456       58.02017 66.64759       80.83219 303.8625       83.33067 30.57736 11.45879 58.18537 8.649827 -27.60800      14.35700 
1 1 1 12  1  23 o 57.59014 6.496546 292.5125       62.77349 343.2574       83.95014 228.1567       94.54074 61.92112 8.136237 49.21698 11.46226 12.70414       14.05637 
1 1 1 12  1  24 o 51.65322 7.270470 239.2481       62.35530 234.3542       83.07639 245.5624       94.36594 50.10012 10.05985 50.87112 11.16882 -0.7709961     15.03140 
1 1 1 12  1  25 o 47.28277 9.524520 208.8151       74.24502 182.6030       105.7196 234.3239       104.2916 43.26004 13.14737 48.95834 12.44699 -5.698296      18.10473 
1 1 1 12  1  26 o 68.04123 6.523944 412.1529       74.87329 397.9082       102.1790 428.6707       110.0299 65.44959 9.413084 67.75461 9.794007 -2.305016      13.58414 
1 1 1 12  2  0  o 355.6615 6.224607 10812.70       378.0512 11143.91       533.4415 10478.47       535.8571 360.8785 8.656131 349.9101 8.967895 10.96841       12.46402 
1 1 1 12  2  1  o 377.9170 6.263809 12208.73       404.2377 11788.43       677.7268 12440.83       503.6339 370.9413 10.69911 381.3761 7.733207 -10.43478      13.20126 
1 1 1 12  2  2  o 554.0821 7.215410 26255.03       682.7112 24370.54       1147.743 27286.90       849.2997 532.9556 12.61107 564.6451 8.808125 -31.68951      15.38252 
1 1 1 12  2  3  o 13.59810 6.561019 -72.39552      45.70657 -97.79507      66.01420 -49.00767      63.34602 16.63649 7.990706 18.71544 8.611592 -2.078957      11.74780 
1 1 1 12  2  4  o 534.8212 7.403915 24468.08       676.1950 23392.50       1138.863 25053.71       840.3563 521.9723 12.77680 540.9266 9.097524 -18.95435      15.68476 
1 1 1 12  2  5  o 280.0305 4.597211 6700.775       219.8374 6813.392       362.5949 6635.318       276.4401 282.1872 7.524585 278.5938 5.810690 3.593384       9.507024 
1 1 1 12  2  6  o 129.2092 4.400898 1426.664       97.10391 1440.478       137.3256 1412.850       137.3258 129.7801 6.196429 128.5274 6.256832 1.252686       8.805889 
1 1 1 12  2  7  o 350.9953 5.309896 10534.22       318.2652 10466.45       541.4050 10570.00       393.4206 349.3800 9.074491 351.4579 6.555138 -2.077850      11.19447 
1 1 1 12  2  8  o 207.1111 3.556679 3665.316       125.7911 3779.764       180.3636 3556.925       175.5259 210.2396 5.023803 203.9470 5.039901 6.292557       7.116122 
1 1 1 12  2  9  o 174.2691 3.419533 2595.277       101.7628 2583.102       146.7799 2606.546       141.2104 173.7789 4.946153 174.5787 4.736676 -0.7997284     6.848396 
1 1 1 12  2  10 o 28.74035 7.669320 73.34947       38.33945 81.23062       57.98640 67.22817       51.10378 30.96053 9.792282 28.42258 9.214465 2.537954       13.44601 
1 1 1 12  2  11 o 262.0114 4.808374 5874.901       215.1396 5975.086       269.5194 5698.960       357.1690 264.0725 5.976747 257.5165 8.122071 6.556030       10.08412 
1 1 1 12  2  12 o 142.4016 3.543014 1733.828       86.15683 1748.224       125.7738 1721.101       118.2612 142.8807 5.154834 141.7893 4.884240 1.091385       7.101275 
1 1 1 12  2  13 o 86.88705 3.744293 645.7013       55.55547 750.5532       83.88968 563.7954       74.14435 93.44930 5.278506 80.93656 5.395446 12.51274       7.548077 
1 1 1 12  2  14 o 50.10796 5.342496 217.6230       45.00947 197.4176       65.92027 235.2694       61.60466 47.15287 8.499355 51.83569 7.149884 -4.682812      11.10675 
1 1 1 12  2  15 o 50.55345 16.83844 217.7251       170.2164 168.6169       218.7558 293.0856       270.9908 49.65142 18.79773 59.76163 21.19185 -10.11021      28.32753 
1 1 1 12  2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  2  17 o 67.03364 5.440094 387.9999       61.73601 361.0993       96.92918 406.3611       80.07982 63.98696 9.129638 68.37677 6.955061 -4.389812      11.47707 
1 1 1 12  2  18 o 230.5701 4.205181 4554.290       165.5730 4554.216       240.3350 4554.357       228.4296 230.1433 6.115287 230.2251 5.810291 -0.8177185E-01 8.435414 
1 1 1 12  2  19 o 176.4211 3.975810 2667.621       119.7783 2697.461       175.8236 2641.780       163.6183 177.0226 5.816298 175.2686 5.466709 1.753952       7.982119 
1 1 1 12  2  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  2  21 o 68.59830 6.861644 412.3619       79.30104 620.1141       155.6146 339.4850       92.16636 82.70226 11.31554 61.57450 9.034008 21.12776       14.47946 
1 1 1 12  2  22 f 45.63275 8.078126 187.6897       60.64538 237.5950       94.67210 152.9599       78.97679 50.50680 11.26349 40.59930 11.08150 9.907494       15.80081 
1 1 1 12  2  23 o 50.37689 7.276051 226.7014       60.77940 310.1395       91.25630 160.1801       81.48189 58.29669 9.493514 41.29449 11.24949 17.00220       14.71998 
1 1 1 12  2  24 o 30.22324 10.55696 77.06277       67.06383 146.8312       104.2359 27.78367       87.60301 39.69093 13.17472 27.40410 11.37879 12.28683       17.40833 
1 1 1 12  2  25 o 61.90639 6.483472 340.0837       67.52340 297.8952       98.58942 377.3583       92.67023 56.14250 10.67353 64.34499 8.653167 -8.202492      13.74050 
1 1 1 12  2  26 o 34.96618 10.48825 116.1440       67.60397 58.30611       101.7814 161.8046       90.43427 30.87965 12.47744 40.61760 12.11871 -9.737949      17.39396 
1 1 1 12  3  0  o 299.6682 6.074883 7675.977       310.8712 7398.936       436.6548 7960.721       442.6838 294.0404 8.696197 305.0145 8.499066 -10.97415      12.15969 
1 1 1 12  3  1  f 326.5764 5.518872 9114.820       307.7776 8315.089       429.5096 9958.889       441.2546 311.7549 8.067847 341.2219 7.572695 -29.46698      11.06507 
1 1 1 12  3  2  o 229.3005 4.414790 4492.110       172.8689 4512.182       282.6988 4480.123       218.4763 229.6940 7.207296 228.9517 5.588027 0.7422943      9.119823 
1 1 1 12  3  3  o 463.0635 7.208520 18340.39       570.0181 17874.01       985.4508 18574.90       698.7834 456.3146 12.64645 465.8182 8.784644 -9.503601      15.39814 
1 1 1 12  3  4  o 549.6157 7.626248 25846.25       715.7675 24563.03       1205.328 26545.27       889.6100 534.6855 13.20094 556.7047 9.357781 -22.01910      16.18125 
1 1 1 12  3  5  f 124.9024 4.450472 1333.090       94.92459 1266.552       129.2455 1411.019       139.8705 121.5385 6.248434 128.4474 6.376743 -6.908913      8.927810 
1 1 1 12  3  6  o 132.1668 4.487520 1492.898       101.2817 1451.583       310.7379 1497.809       107.1321 128.9882 14.35051 132.3768 4.739207 -3.388565      15.11282 
1 1 1 12  3  7  o 280.9349 4.498583 6746.388       215.8159 6503.880       362.1259 6879.965       268.7596 275.5415 7.696098 283.6195 5.549143 -8.077972      9.488040 
1 1 1 12  3  8  o 258.5857 4.621352 5717.282       204.0683 5793.298       342.0263 5675.264       254.2890 259.9754 7.704160 257.5318 5.782224 2.443604       9.632663 
1 1 1 12  3  9  o 171.4675 3.508342 2512.782       102.7272 2525.399       152.4984 2502.301       138.9952 171.7984 5.198097 171.0402 4.758823 0.7581787      7.047454 
1 1 1 12  3  10 o 97.38070 3.471970 810.5848       57.73655 793.5193       87.68552 823.6468       76.71364 96.12785 5.363041 98.12207 4.578297 -1.994225      7.051455 
1 1 1 12  3  11 o 127.4980 3.773102 1389.998       82.14930 1242.673       132.5420 1481.896       104.6806 120.2082 6.480749 131.5948 4.658282 -11.38664      7.981209 
1 1 1 12  3  12 o 214.2878 4.475063 3929.863       163.7565 3879.017       205.6563 4017.954       270.6939 212.7487 5.660740 216.2536 7.330158 -3.504898      9.261490 
1 1 1 12  3  13 o 69.21468 4.223854 411.4982       49.68501 510.6068       78.05266 343.9801       64.42315 76.92494 5.989012 63.03671 6.059417 13.88824       8.519670 
1 1 1 12  3  14 o 87.79980 5.051062 662.6954       75.41249 635.2267       106.2803 690.5488       107.0223 85.62708 7.339346 89.34832 7.072120 -3.721237      10.19220 
1 1 1 12  3  15 o 137.0356 15.62002 1679.823       358.9933 1637.341       431.7366 1775.005       646.2409 133.6334 19.49296 134.0848 29.06227 -0.4514160     34.99416 
1 1 1 12  3  16 o 231.6075 4.170393 4592.109       164.9421 4801.129       241.3338 4408.884       225.9519 236.4951 5.975774 226.6563 5.837761 9.838791       8.354001 
1 1 1 12  3  17 f 235.6371 4.257124 4754.998       171.3018 4620.644       247.3109 4878.904       237.5013 231.8879 6.245442 238.3768 5.834452 -6.488922      8.546717 
1 1 1 12  3  18 o 94.85268 4.594867 771.4210       74.42596 864.8311       115.0802 704.2606       97.57991 99.96179 6.781749 90.23624 6.373524 9.725555       9.306660 
1 1 1 12  3  19 o 98.58027 4.612795 834.2975       77.65261 772.4818       113.7762 888.2005       106.2450 94.24651 7.121999 101.3158 6.170265 -7.069275      9.423111 
1 1 1 12  3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  3  21 o 52.75129 7.534070 247.1588       65.93987 174.5310       104.3320 295.4662       85.08892 43.46542 13.02759 57.34607 8.983993 -13.88065      15.82499 
1 1 1 12  3  22 o 124.9619 5.859086 1353.343       125.0286 1597.736       223.4309 1241.927       150.8600 133.6615 9.858507 118.9442 7.465112 14.71732       12.36600 
1 1 1 12  3  23 o 87.55327 5.256683 666.4477       78.22945 676.8092       124.0668 659.6093       100.7911 87.02275 8.455495 86.55491 6.875769 0.4678421      10.89824 
1 1 1 12  3  24 o 52.03448 7.216805 242.9173       62.40008 193.2536       96.17521 279.0231       82.00343 44.69581 12.24077 55.14196 9.020576 -10.44616      15.20550 
1 1 1 12  3  25 o 77.38283 5.982033 527.3190       78.43490 424.0029       119.4790 605.5645       103.9770 67.07589 10.79736 82.27587 7.482316 -15.19998      13.13651 
1 1 1 12  3  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  4  0  o 121.4243 4.971200 1259.856       103.0787 970.6409       143.5181 1568.008       148.1424 106.2175 7.970526 135.4278 6.405741 -29.21034      10.22560 
1 1 1 12  4  1  o 302.9770 5.882350 7846.521       304.3424 7514.651       439.4769 8152.336       421.8730 296.3051 8.685501 308.6779 8.003395 -12.37280      11.81068 
1 1 1 12  4  2  o 495.0021 8.336430 20970.44       704.6753 20381.60       975.5625 21612.86       1018.977 487.4441 11.72002 501.9178 11.88858 -14.47369      16.69423 
1 1 1 12  4  3  f 695.8098 8.981973 41458.43       1067.245 41949.69       1798.015 41191.19       1326.127 698.0825 15.08289 693.0052 11.20590 5.077332       18.79004 
1 1 1 12  4  4  o 109.0129 4.287051 1015.415       79.80656 950.7141       108.3266 1092.217       118.0229 105.2713 6.051373 112.8502 6.147555 -7.578896      8.626213 
1 1 1 12  4  5  o 205.2842 4.530002 3601.549       158.8020 2964.217       517.7350 3667.736       166.8441 184.4470 16.61580 207.1538 4.716459 -22.70680      17.27223 
1 1 1 12  4  6  o 60.85428 4.518027 318.2784       46.61560 379.9265       70.52568 270.4493       62.12022 66.33870 6.301207 55.82283 6.647278 10.51587       9.159231 
1 1 1 12  4  7  o 242.8231 4.294964 5040.193       178.0949 4999.706       296.1997 5063.118       222.8836 241.5988 7.179396 243.2970 5.364626 -1.698196      8.962306 
1 1 1 12  4  8  o 87.05683 3.936266 647.8469       58.51797 646.1542       93.80592 648.9251       74.87250 86.62920 6.386120 86.94990 5.064494 -0.3206940     8.150559 
1 1 1 12  4  9  o 156.1847 3.666151 2085.222       97.78014 1970.651       160.1658 2153.294       123.4564 151.6712 6.183932 158.6634 4.556538 -6.992203      7.681345 
1 1 1 12  4  10 o 61.28816 4.546030 323.1281       47.23941 205.5896       73.84635 404.5425       61.45957 48.06101 9.334215 68.53603 5.292318 -20.47502      10.73015 
1 1 1 12  4  11 o 176.0867 4.142550 2652.381       124.5650 2557.771       205.5875 2707.260       156.5788 172.6226 6.974244 177.8079 5.156796 -5.185287      8.673674 
1 1 1 12  4  12 o 173.3409 4.580806 2572.065       135.5953 2716.841       190.6992 2424.020       192.8403 177.9539 6.275371 168.0317 6.720545 9.922150       9.194890 
1 1 1 12  4  13 o 170.2805 4.254426 2481.672       123.7109 2339.335       157.7544 2709.010       199.3699 165.1811 5.592671 177.6139 6.573259 -12.43285      8.630510 
1 1 1 12  4  14 o 54.07959 5.239190 253.0202       47.77703 376.8164       72.83025 159.4992       63.30127 65.90898 6.557991 42.18427 9.057933 23.72471       11.18273 
1 1 1 12  4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  4  16 o 76.39808 4.375663 501.4766       56.84830 553.3439       91.85032 469.2712       72.37659 79.93108 6.793587 73.71662 5.796257 6.214462       8.930253 
1 1 1 12  4  17 o 24.93826 8.554334 49.22420       43.93738 -21.05314      68.26741 98.92115       57.40776 21.40962 9.469533 33.38030 9.573877 -11.97068      13.46593 
1 1 1 12  4  18 o 195.0013 3.984264 3257.912       132.6745 3247.983       192.5837 3266.882       183.0401 194.3303 5.803326 194.9674 5.497716 -0.6370544     7.993965 
1 1 1 12  4  19 o 177.6247 4.119431 2706.592       124.9518 2710.484       183.8972 2703.254       170.3019 177.2641 6.075086 177.1547 5.629436 0.1094055      8.282344 
1 1 1 12  4  20 o 40.41530 9.438925 149.0399       63.96407 24.02410       103.0301 227.4435       81.59244 29.54134 12.30929 50.00427 9.905512 -20.46293      15.79993 
1 1 1 12  4  21 o 104.1942 4.667323 934.9023       83.04495 932.2118       132.6259 936.6376       106.5095 103.0674 7.588761 103.8279 6.033221 -0.7605209     9.694795 
1 1 1 12  4  22 o 90.65038 4.916237 711.4557       75.81887 759.3548       116.8541 676.6296       99.63971 92.85709 7.431583 87.88028 6.689801 4.976807       9.999094 
1 1 1 12  4  23 o 88.70406 7.268546 696.1045       109.1346 639.7065       210.3211 716.8849       127.6670 80.02692 15.95007 89.48640 8.454659 -9.459480      18.05231 
1 1 1 12  4  24 o 66.81804 6.402160 394.8255       72.15601 475.7347       108.6154 330.9103       96.53712 72.26620 8.996201 59.74683 9.801893 12.51937       13.30446 
1 1 1 12  4  25 o 24.08576 9.717320 29.31428       61.62954 51.91279       97.41073 14.23099       79.58199 30.10617 12.19198 25.11653 10.66237 4.989641       16.19662 
1 1 1 12  5  0  o 257.3242 5.723475 5659.978       251.5025 5574.728       353.4947 5747.366       357.9029 255.2365 8.110324 259.1601 8.087143 -3.923599      11.45335 
1 1 1 12  5  1  o 241.7324 5.719155 4995.073       236.0851 4775.188       339.9358 5199.947       328.1268 236.1926 8.428081 246.5182 7.794544 -10.32561      11.47987 
1 1 1 12  5  2  o 370.8558 8.010842 11771.18       507.3238 12201.58       550.9078 9369.387       1301.399 377.5128 8.545655 327.1348 23.45162 50.37793       24.96010 
1 1 1 12  5  3  o 217.2490 6.540500 4036.856       242.6446 3247.823       852.1111 4106.482       253.1240 190.5307 26.94089 219.1012 6.765295 -28.57050      27.77734 
1 1 1 12  5  4  f 77.66277 6.408533 519.4668       84.23197 964.5941       229.0972 449.8886       90.57624 105.0887 13.04691 72.11233 7.463362 32.97635       15.03075 
1 1 1 12  5  5  o 252.3080 4.535629 5441.376       195.4207 5402.013       324.3925 5463.800       244.8332 251.1496 7.563737 252.7495 5.672546 -1.599915      9.454518 
1 1 1 12  5  6  o 369.4101 5.841552 11676.01       368.5012 11185.47       618.4520 11946.03       458.8485 360.8346 10.03682 373.4563 7.194948 -12.62170      12.34929 
1 1 1 12  5  7  o 190.5345 4.023456 3103.282       130.9106 2964.073       223.4014 3176.082       161.5542 185.9911 7.033830 192.7020 4.909420 -6.710907      8.577714 
1 1 1 12  5  8  o 293.2286 4.883229 7356.140       244.5206 7337.081       410.4994 7366.621       304.4208 292.3149 8.223556 293.2771 6.078468 -0.9622192     10.22617 
1 1 1 12  5  9  o 403.8990 6.055975 13977.80       417.6945 13884.08       702.7000 14029.01       519.4175 401.2341 10.25581 404.2540 7.524199 -3.019897      12.71988 
1 1 1 12  5  10 o 199.9823 4.245711 3421.220       144.9919 3535.845       241.7626 3356.835       181.1938 202.9774 6.974926 197.9799 5.359450 4.997421       8.796209 
1 1 1 12  5  11 o 66.31095 5.449070 379.2831       61.15769 338.8381       84.31221 424.1946       88.84583 62.23728 8.127048 69.84631 7.570050 -7.609032      11.10651 
1 1 1 12  5  12 o 337.5224 5.638606 9767.248       324.9947 9836.715       547.1781 9729.386       403.9688 337.4452 9.495625 336.4829 7.030447 0.9622803      11.81499 
1 1 1 12  5  13 f 75.56047 4.264215 490.2705       54.79712 550.0399       86.85005 450.7412       70.63012 79.77773 6.429678 72.26144 5.771926 7.516289       8.640365 
1 1 1 12  5  14 o 38.65745 16.10242 37.55880       176.2281 96.72634       187.3402 -417.2702      519.4137 43.06087 17.08691 50.90417 23.83929 -7.843296      29.33043 
1 1 1 12  5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  5  16 o 151.0285 3.868473 1952.343       99.77013 1939.521       155.5972 1961.296       130.0161 150.2636 6.063819 151.2459 5.033983 -0.9823151     7.881046 
1 1 1 12  5  17 o 120.7360 3.852027 1248.197       79.41965 1212.058       124.9050 1272.724       102.8991 118.5503 6.191342 121.8039 4.947073 -3.253601      7.925039 
1 1 1 12  5  18 o 103.5098 4.187614 918.7271       74.02016 922.6993       114.5153 915.8765       97.00983 103.2197 6.530454 103.0406 5.533474 0.1790848      8.559566 
1 1 1 12  5  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  5  20 f 102.2096 4.825871 899.3367       84.23051 947.8105       136.4376 869.4844       107.0703 103.9939 7.738282 100.0220 6.300817 3.971870       9.979043 
1 1 1 12  5  21 o 78.79587 5.289697 538.7109       70.76363 621.3152       114.5848 487.7837       89.97059 83.79025 8.109594 74.46006 7.164224 9.330185       10.82089 
1 1 1 12  5  22 o 81.23202 5.157772 573.0971       71.17603 550.4557       113.4388 587.7981       91.40777 78.43628 8.610867 81.83875 6.596691 -3.402473      10.84727 
1 1 1 12  5  23 o 58.58727 6.382638 303.6317       62.82338 246.0842       120.8894 324.9233       73.53241 49.98514 13.73791 60.32315 7.285854 -10.33801      15.55036 
1 1 1 12  5  24 o 163.8856 4.344694 2322.943       121.5911 2297.063       187.4175 2341.754       159.7816 161.4841 6.796395 163.7869 5.712757 -2.302795      8.878433 
1 1 1 12  5  25 o 57.91141 7.130260 301.9356       69.02395 317.8484       110.4207 291.7297       88.43046 57.14223 11.70949 55.77840 9.632199 1.363831       15.16217 
1 1 1 12  6  0  f 319.0868 6.080075 8705.587       331.2987 8474.007       478.6000 8918.647       459.0646 314.5616 8.909740 322.7699 8.328731 -8.208313      12.19636 
1 1 1 12  6  1  o 341.0977 8.359635 9962.019       486.9317 10113.04       528.7993 9120.002       1248.622 343.5954 9.012423 322.7126 22.80438 20.88281       24.52068 
1 1 1 12  6  2  o 350.1790 9.430673 10511.14       563.9423 11422.41       2058.445 10437.19       586.3773 355.2422 34.36150 348.8843 9.842237 6.357910       35.74328 
1 1 1 12  6  3  o 222.1298 5.057238 4218.270       191.8325 3895.656       277.7357 4512.588       265.2770 213.2952 7.625157 229.6340 6.764904 -16.33878      10.19348 
1 1 1 12  6  4  o 276.4730 5.535139 6537.592       261.3263 6463.462       376.1909 6606.724       363.2891 274.6438 8.021149 277.7145 7.660409 -3.070648      11.09147 
1 1 1 12  6  5  o 363.7845 5.805489 11323.55       360.6492 10516.71       620.3622 11735.45       443.2476 349.7690 10.38633 370.1617 7.012179 -20.39270      12.53182 
1 1 1 12  6  6  o 137.1820 3.902173 1608.598       91.41251 1656.325       145.6771 1577.599       117.4039 139.0891 6.133331 135.8025 5.062591 3.286591       7.952835 
1 1 1 12  6  7  o 161.0894 3.755715 2218.305       103.3146 2250.121       168.7224 2199.219       130.6789 162.0835 6.095815 160.3365 4.772778 1.747040       7.741987 
1 1 1 12  6  8  o 199.3163 4.157519 3397.616       141.5074 3280.259       234.0344 3465.247       177.6623 195.5470 7.008523 201.1996 5.170902 -5.652512      8.709628 
1 1 1 12  6  9  o 240.5539 5.220373 4954.960       214.4450 4957.396       302.7586 4952.508       303.7861 240.2706 7.378940 240.1467 7.407801 0.1238403      10.45582 
1 1 1 12  6  10 o 101.0369 4.250936 873.4740       73.34436 997.5169       119.5349 798.5767       92.88426 107.6232 6.535028 96.36388 5.669485 11.25936       8.651569 
1 1 1 12  6  11 o 27.15520 8.486034 62.98849       43.67951 22.99200       63.81756 98.23883       59.91160 24.49253 9.885896 33.43712 9.835897 -8.944588      13.94546 
1 1 1 12  6  12 o 169.7398 3.880861 2465.151       112.4900 2502.268       189.0167 2444.796       139.9777 170.6951 6.484511 168.9387 4.852079 1.756454       8.098861 
1 1 1 12  6  13 o 172.5250 12.40158 2611.501       362.9308 2511.155       489.7158 2733.769       540.5670 167.0102 17.42787 173.7689 18.50150 -6.758713      25.41724 
1 1 1 12  6  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  6  15 o 117.3408 5.028681 1180.416       100.7639 1207.537       141.4357 1152.461       143.5921 118.2475 7.036087 115.4555 7.320945 2.792068       10.15395 
1 1 1 12  6  16 o 207.4300 4.567546 3687.335       161.7918 3406.468       280.6082 3827.204       198.0209 198.5430 8.276443 211.1549 5.491715 -12.61188      9.932696 
1 1 1 12  6  17 o 135.2109 4.204898 1567.017       97.08882 1609.208       166.2815 1545.193       119.5913 136.3372 7.167283 134.1260 5.221374 2.211182       8.867508 
1 1 1 12  6  18 o 70.47565 5.320632 429.7934       63.56107 322.5412       108.6479 485.5998       78.37180 59.58083 11.08657 74.76775 6.194017 -15.18692      12.69953 
1 1 1 12  6  19 o 80.47001 5.127209 559.8366       70.08892 568.7330       135.9570 556.6165       81.79588 79.68203 10.22779 80.04814 6.028063 -0.3661118     11.87204 
1 1 1 12  6  20 o 90.97813 4.400453 712.0649       68.36539 767.8887       109.5052 676.4096       87.51608 93.72954 6.889874 88.23393 5.841362 5.495605       9.032823 
1 1 1 12  6  21 f 82.15640 4.806993 584.2813       67.14598 628.7030       105.8289 554.3495       86.87067 84.46256 7.412267 79.58178 6.447728 4.880783       9.824200 
1 1 1 12  6  22 o 19.34629 8.428201 -6.287138      52.23825 -98.46614      97.17579 31.17639       61.95073 21.41543 10.11656 24.55358 9.799701 -3.138147      14.08470 
1 1 1 12  6  23 o 104.9114 4.639009 953.0081       83.10936 1081.163       136.6152 877.7148       104.7150 110.4085 7.286913 99.97681 6.163545 10.43169       9.544024 
1 1 1 12  6  24 o 84.41282 5.618083 625.0174       80.52133 446.6461       140.4177 712.4098       98.28705 67.72456 12.60542 89.77224 6.454472 -22.04768      14.16181 
1 1 1 12  6  25 o 92.69200 7.719552 774.6246       121.0792 780.5638       165.6185 767.8058       177.4575 90.74935 10.90557 89.13801 11.95980 1.611343       16.18543 
1 1 1 12  7  0  o 373.7607 8.560337 11968.23       546.3694 12325.71       592.8499 9952.873       1407.643 379.2095 9.155110 335.8719 24.71604 43.33755       26.35713 
1 1 1 12  7  1  o 360.7755 8.421061 11153.10       518.8069 7761.747       1886.529 11430.56       539.6130 288.4618 39.32230 365.1994 8.652677 -76.73761      40.26303 
1 1 1 12  7  2  o 142.2340 4.504840 1729.278       109.4170 1747.190       159.2570 1713.265       150.5848 142.8808 6.527136 141.5015 6.231868 1.379288       9.024394 
1 1 1 12  7  3  o 279.9732 6.068044 6707.807       290.1130 6667.167       418.9132 6745.263       402.1627 278.7791 8.799581 280.4661 8.396911 -1.687042      12.16309 
1 1 1 12  7  4  o 306.8699 6.038577 8060.442       316.4395 7989.968       455.9536 8125.928       439.5246 305.1094 8.751110 307.7637 8.363033 -2.654297      12.10464 
1 1 1 12  7  5  o 119.4027 4.757913 1219.447       97.01358 1131.756       137.2273 1307.063       137.1686 114.6963 7.040353 123.3506 6.535263 -8.654312      9.606051 
1 1 1 12  7  6  o 21.17529 8.050887 26.85520       40.23421 82.17829       59.92499 -18.55396      54.29084 31.22192 9.963120 19.03609 8.430972 12.18582       13.05163 
1 1 1 12  7  7  o 51.37561 5.527880 228.6344       47.73407 237.8554       74.26737 222.1438       62.30867 51.90186 8.686371 50.33039 7.476857 1.571465       11.46108 
1 1 1 12  7  8  o 302.5609 6.334828 7849.834       327.3027 7755.482       472.9056 7936.586       453.4584 300.0168 9.230537 303.6401 8.745332 -3.623352      12.71549 
1 1 1 12  7  9  o 300.9570 5.203561 7758.346       267.4281 7690.358       448.4622 7795.864       333.1420 298.7529 8.790463 301.4208 6.472235 -2.667877      10.91614 
1 1 1 12  7  10 o 92.80620 4.015542 736.9225       63.63896 583.7075       101.8823 834.9478       81.49239 82.07752 7.346673 98.74044 4.833036 -16.66292      8.793853 
1 1 1 12  7  11 o 28.27681 8.235438 70.22180       42.18715 132.2711       65.24846 25.64955       55.30116 38.38255 9.892539 23.43706 9.288769 14.94549       13.56995 
1 1 1 12  7  12 o 98.92176 4.000043 837.4941       67.57070 795.3765       110.3041 862.7928       85.48879 95.95680 6.775067 100.3390 4.989277 -4.382156      8.413942 
1 1 1 12  7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7  14 o 233.9076 4.716256 4687.987       188.3838 4655.188       325.6346 4704.487       230.9550 232.2623 8.210126 234.1135 5.776957 -1.851151      10.03889 
1 1 1 12  7  15 o 197.5881 4.386857 3344.395       148.0185 3063.840       255.6307 3485.904       181.5501 188.4171 7.944944 201.5781 5.274134 -13.16101      9.536175 
1 1 1 12  7  16 o 210.7867 5.754679 3819.426       207.1411 3594.608       292.2976 4046.236       293.5901 203.7126 8.402439 216.2936 7.948692 -12.58102      11.56645 
1 1 1 12  7  17 o 149.7311 5.365965 1928.510       137.2024 1936.689       188.9490 1919.388       199.5518 149.5503 7.398698 148.5383 7.895468 1.012085       10.82031 
1 1 1 12  7  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  7  19 o 38.30720 8.232188 133.0637       52.24771 52.14830       91.26048 172.5170       63.72477 30.36554 11.96486 43.59030 8.862769 -13.22476      14.88982 
1 1 1 12  7  20 o 43.76616 7.555033 171.9837       54.42382 160.5696       100.0237 176.7841       64.86637 41.67463 12.81184 44.01750 8.934846 -2.342873      15.61969 
1 1 1 12  7  21 o 21.83421 8.880770 19.11559       51.94136 180.2132       99.63605 -41.00333      60.86639 43.60365 12.64389 18.40641 8.459012 25.19724       15.21259 
1 1 1 12  7  22 o 72.92361 5.315422 464.2903       65.73658 608.0239       122.2896 405.8788       77.95779 82.00820 8.873856 67.66062 6.841161 14.34758       11.20477 
1 1 1 12  7  23 o 16.62706 7.697097 -39.10463      51.72609 152.5563       104.7093 -100.9745      59.49195 40.06191 13.20014 14.91722 7.264380 25.14469       15.06702 
1 1 1 12  7  24 o 30.37017 10.44736 81.36782       65.55798 141.1874       136.8951 63.56642       74.67813 39.60725 14.89854 28.99043 10.98125 10.61682       18.50822 
1 1 1 12  8  0  o 145.2262 4.945809 1803.418       122.6547 2137.410       419.4758 1772.193       128.2602 156.2619 15.94331 143.9516 5.217633 12.31035       16.77536 
1 1 1 12  8  1  o 176.2840 4.532002 2656.868       136.4284 2718.729       196.3039 2599.074       189.7413 178.2041 6.450736 174.2438 6.376799 3.960342       9.070587 
1 1 1 12  8  2  o 190.6474 4.906202 3108.585       159.7270 2891.278       228.4839 3316.290       223.3787 183.6776 7.284462 196.7757 6.647652 -13.09813      9.861778 
1 1 1 12  8  3  o 214.3414 5.379303 3931.476       196.8947 3957.405       277.8000 3905.302       279.1067 214.8115 7.573087 213.3819 7.659685 1.429611       10.77137 
1 1 1 12  8  4  o 81.87080 5.156948 575.8735       71.72963 576.0355       103.5354 575.7241       99.46878 81.59863 7.514707 81.61857 7.210843 -0.1994324E-01 10.41475 
1 1 1 12  8  5  f 134.4894 4.793694 1547.738       110.0931 1476.598       159.4199 1612.596       152.2199 130.9944 7.153753 137.1529 6.499269 -6.158524      9.665230 
1 1 1 12  8  6  o 77.22786 5.083108 512.7924       66.66089 414.9414       102.8292 583.7232       87.54900 68.86354 8.956289 82.27897 6.278432 -13.41543      10.93773 
1 1 1 12  8  7  o 280.6602 4.834790 6743.114       231.7183 6640.712       396.8094 6796.102       285.4422 277.8043 8.364519 281.5756 5.936374 -3.771271      10.25698 
1 1 1 12  8  8  o 97.77817 4.304136 818.1675       71.86705 768.8600       120.6078 845.3136       89.48949 94.26746 7.555743 99.18867 5.302539 -4.921211      9.230719 
1 1 1 12  8  9  o 242.1412 4.579990 5020.043       189.3804 4975.749       325.0821 5042.799       233.0015 240.4126 7.918336 242.5193 5.626138 -2.106750      9.713572 
1 1 1 12  8  10 o 355.6660 5.905956 10853.98       358.7026 10830.84       620.3322 10865.60       439.6594 353.5363 10.27515 355.4176 7.243951 -1.881256      12.57194 
1 1 1 12  8  11 o 72.97466 4.626926 457.9652       57.36062 399.1697       101.9031 485.2349       69.39938 67.37342 9.089193 75.02319 5.454313 -7.649773      10.60014 
1 1 1 12  8  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  8  13 o 52.07083 5.943489 235.7760       51.90224 281.8313       86.39004 209.7630       64.92592 56.35422 9.301639 48.68367 8.093861 7.670547       12.33009 
1 1 1 12  8  14 o 209.5580 4.537750 3762.741       162.3853 3538.258       277.3152 3879.876       200.3204 202.4587 8.021125 212.6167 5.517292 -10.15796      9.735448 
1 1 1 12  8  15 o 109.7815 4.423848 1033.068       82.93375 1052.049       142.5095 1023.347       101.9816 110.1088 7.626102 109.0124 5.495964 1.096405       9.400163 
1 1 1 12  8  16 o 211.1969 4.621144 3828.592       166.6629 3695.638       287.6508 3895.779       204.4823 206.3490 8.163216 212.7716 5.627819 -6.422562      9.915162 
1 1 1 12  8  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  8  18 o 39.50473 11.28100 142.8865       79.87544 182.5016       111.8303 101.6277       114.1266 44.51208 13.52069 36.80296 13.65025 7.709126       19.21297 
1 1 1 12  8  19 o 69.21415 5.900479 417.7843       69.07438 432.6844       133.6592 412.3547       80.68407 68.40329 11.87309 68.47085 6.998879 -0.6755829E-01 13.78240 
1 1 1 12  8  20 o 167.5129 4.484866 2418.961       128.2921 2430.569       231.2931 2413.802       154.1845 166.0986 8.154450 166.9735 5.407436 -0.8748627     9.784449 
1 1 1 12  8  21 o 43.01469 8.635737 170.0351       61.22939 191.1999       129.2331 163.9088       69.52847 44.68730 14.66182 41.86364 9.884114 2.823654       17.68232 
1 1 1 12  8  22 o 58.25576 6.443359 301.2011       63.02607 233.7157       136.1882 319.5936       71.09782 48.20726 14.97111 59.79194 7.102142 -11.58468      16.57029 
1 1 1 12  8  23 o 46.18613 8.348294 196.7025       63.41982 205.1199       112.1888 192.7494       76.88289 45.31064 13.49307 44.97356 10.24028 0.3370743      16.93890 
1 1 1 12  8  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  9  0  o 143.4417 4.226007 1759.254       103.5161 1763.566       149.1659 1755.248       143.7708 143.5101 6.086746 143.1850 5.879916 0.3250427      8.462972 
1 1 1 12  9  1  o 293.5132 5.674552 7375.596       284.4207 7393.819       410.7754 7358.813       394.1997 293.4469 8.197339 292.8130 7.883589 0.6339417      11.37310 
1 1 1 12  9  2  o 262.3601 5.539117 5893.463       248.1649 5912.412       365.4093 5877.241       338.0962 262.3581 8.156112 261.6857 7.565860 0.6723938      11.12494 
1 1 1 12  9  3  o 282.9447 6.005561 6859.688       290.1730 6698.220       419.3079 7008.081       401.9739 279.0328 8.799864 285.5453 8.243677 -6.512482      12.05802 
1 1 1 12  9  4  o 154.4408 4.580825 2041.019       120.8113 1941.714       174.4743 2132.487       167.4483 150.4399 6.791512 157.7184 6.217225 -7.278473      9.207525 
1 1 1 12  9  5  o 14.12502 6.623275 -41.76717      40.30835 -78.55898      58.09404 -7.611339      55.97426 15.94166 7.613528 20.27364 8.778323 -4.331971      11.62002 
1 1 1 12  9  6  o 149.5686 4.380747 1914.478       111.8898 1987.016       161.8105 1848.013       154.8885 152.1977 6.225820 146.7827 6.179342 5.414993       8.771835 
1 1 1 12  9  7  f 38.05698 7.331760 128.6728       45.91977 91.37156       69.27155 157.9131       61.33165 33.00589 10.72983 42.02277 8.827425 -9.016884      13.89434 
1 1 1 12  9  8  o 112.8885 4.002072 1090.512       77.15009 1021.807       125.2361 1132.533       97.94138 108.8448 6.771379 114.9727 4.988497 -6.127838      8.410510 
1 1 1 12  9  9  o 92.08710 4.111938 725.8372       64.66174 611.5606       105.8977 793.7733       81.65035 83.96809 7.463132 96.11610 4.991806 -12.14800      8.978667 
1 1 1 12  9  10 o 172.7235 14.96418 2652.275       437.0126 2234.332       770.9908 2850.117       530.4568 148.9892 31.29872 177.7206 17.71481 -28.73138      35.96421 
1 1 1 12  9  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  9  12 o 152.8917 4.129405 2001.410       107.8135 1752.927       185.0308 2129.139       132.6605 142.4145 7.636132 157.6030 4.929188 -15.18846      9.088861 
1 1 1 12  9  13 f 189.6333 4.389838 3080.692       142.1559 2644.267       241.5182 3312.034       175.8420 174.9941 8.082107 196.4856 5.240708 -21.49153      9.632522 
1 1 1 12  9  14 o 90.93034 4.829863 711.2607       74.72833 689.1552       126.0598 723.2378       92.78999 88.83069 8.410345 91.51710 5.970111 -2.686409      10.31388 
1 1 1 12  9  15 o 134.8471 4.294240 1559.630       98.88489 1463.909       170.6915 1607.983       121.3162 129.7663 7.737980 136.7785 5.193963 -7.012299      9.319527 
1 1 1 12  9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  9  17 o 91.51646 4.700389 722.4246       73.20940 670.8908       126.6742 748.2699       89.70827 87.13435 8.626616 92.92904 5.680277 -5.794685      10.32880 
1 1 1 12  9  18 f 64.44838 5.901314 362.5464       64.22643 599.1907       117.8448 262.5536       76.60316 82.16356 8.523025 54.04170 8.588035 28.12186       12.09943 
1 1 1 12  9  19 o 86.67971 6.480158 657.5144       95.22523 521.4830       131.7258 806.4199       137.8183 75.63055 10.48106 95.21959 8.567491 -19.58904      13.53716 
1 1 1 12  9  20 o 72.84527 5.523177 463.3180       68.19437 537.1553       123.9247 431.2471       81.67241 76.82880 9.659166 69.81583 6.942532 7.012970       11.89530 
1 1 1 12  9  21 o 61.58143 6.802982 337.3315       70.34580 305.2195       118.3927 354.8549       87.45813 55.95956 12.68246 62.54811 8.400458 -6.588554      15.21224 
1 1 1 12  9  22 f 34.14778 9.278600 109.3519       55.51612 -11.15869      130.9296 135.7676       61.29940 29.50624 13.07927 37.94312 9.486085 -8.436876      16.15714 
1 1 1 12  9  23 o 52.85896 7.106732 252.5377       62.52377 337.2784       139.1356 231.0956       69.98844 57.10682 14.29945 49.94612 8.510972 7.160698       16.64064 
1 1 1 12  10 0  o 230.1798 4.691186 4533.970       184.3962 4737.895       298.3414 4407.912       234.5642 234.9022 7.437459 226.7884 6.056740 8.113770       9.591658 
1 1 1 12  10 1  o 222.8044 4.447791 4247.476       169.2271 4492.130       289.4425 4120.409       208.5942 228.7057 7.411112 219.3158 5.569683 9.389923       9.270704 
1 1 1 12  10 2  o 117.9970 4.721527 1191.747       95.13828 1285.152       140.2346 1112.098       129.4976 122.1938 6.746679 113.6489 6.702257 8.544884       9.509886 
1 1 1 12  10 3  o 61.57131 5.083500 326.8538       52.97147 339.4771       78.77266 316.4333       71.57017 62.40442 7.545168 60.29512 7.086154 2.109303       10.35100 
1 1 1 12  10 4  o 175.7530 4.546413 2644.132       136.4500 2519.120       201.5215 2749.967       185.4211 171.2657 6.890475 179.0585 6.064044 -7.792801      9.178849 
1 1 1 12  10 5  o 193.6396 5.047945 3212.245       166.9209 3288.947       241.0775 3141.610       231.3467 195.5981 7.217554 191.1902 7.085911 4.407944       10.11451 
1 1 1 12  10 6  o 196.0650 5.176054 3294.424       173.3009 3268.808       250.2569 3318.026       240.2200 194.9019 7.519138 196.4346 7.161258 -1.532700      10.38369 
1 1 1 12  10 7  f 142.8343 4.615983 1747.355       112.5897 1883.879       163.0269 1622.861       155.6789 148.0921 6.446524 137.4261 6.633745 10.66597       9.250094 
1 1 1 12  10 8  o 103.8190 4.200010 922.7742       74.46105 1057.566       117.8325 833.1646       96.07493 110.7887 6.253831 98.36903 5.744363 12.41968       8.491650 
1 1 1 12  10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  10 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  10 11 o 34.52053 8.221312 106.9885       47.77019 160.4123       78.39970 75.44179       60.24535 42.14055 10.83444 30.20443 10.01553 11.93612       14.75453 
1 1 1 12  10 12 o 122.8350 4.282372 1292.517       89.82734 1204.361       147.1724 1344.856       113.4000 117.9782 7.341436 125.1883 5.304534 -7.210114      9.057304 
1 1 1 12  10 13 o 127.1389 4.506116 1386.026       97.83240 1139.312       175.1416 1497.920       117.9494 114.1982 9.055329 132.0743 5.229685 -17.87614      10.45699 
1 1 1 12  10 14 o 125.0969 4.370669 1342.657       93.36765 1326.562       159.2461 1351.089       115.2564 123.5244 7.586135 125.3325 5.385169 -1.808136      9.303199 
1 1 1 12  10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  10 16 o 37.22355 8.040427 125.4252       49.61518 130.5726       101.7780 123.8207       56.82439 38.79632 13.02130 36.84180 9.088478 1.954517       15.87938 
1 1 1 12  10 17 o 20.71162 8.247597 20.48405       43.78969 66.36265       99.77561 9.538805       48.73400 32.36450 12.58085 20.33399 8.468684 12.03051       15.16563 
1 1 1 12  10 18 o 118.9523 4.463028 1219.373       90.65765 1236.218       163.5257 1211.898       108.9302 118.2538 8.147550 118.3374 5.390444 -0.8358002E-01 9.769312 
1 1 1 12  10 19 o 29.54076 9.700568 76.27748       56.56636 185.2172       126.5977 49.10246       63.22919 44.20879 14.51188 26.66827 10.10380 17.54052       17.68280 
1 1 1 12  10 20 o 23.63986 9.460935 28.82589       57.91006 57.92971       103.1368 15.42571       69.98322 31.36251 12.59963 24.05338 10.09283 7.309130       16.14360 
1 1 1 12  10 21 o 51.39114 9.967121 248.2319       84.31365 194.0475       115.3762 310.3299       123.5144 44.28836 13.78401 55.95988 13.14823 -11.67152      19.04927 
1 1 1 12  10 22 o 59.67876 6.101173 316.4377       61.30344 368.6261       122.0695 298.8362       70.89145 61.31727 12.08765 57.46096 7.396406 3.856312       14.17103 
1 1 1 12  11 0  o 244.3972 4.882580 5114.788       203.7734 5619.268       340.4435 4833.148       254.3722 255.5909 7.800056 237.3484 6.275978 18.24243       10.01143 
1 1 1 12  11 1  o 87.63585 4.816604 659.6578       71.80505 688.6558       100.3827 629.2736       102.7542 89.31618 6.628815 85.28200 7.120837 4.034180       9.728695 
1 1 1 12  11 2  o 209.9042 4.475832 3772.016       160.4342 3678.586       257.6974 3831.148       205.0105 206.8319 7.296097 211.3712 5.679739 -4.539276      9.246213 
1 1 1 12  11 3  o 125.3685 4.085320 1345.072       87.46143 1263.047       132.4565 1408.482       116.4601 121.1136 6.427407 128.1874 5.320225 -7.073822      8.343641 
1 1 1 12  11 4  o 163.5168 4.136661 2288.599       115.5086 2282.963       185.5968 2292.162       147.5716 162.9942 6.668011 163.5165 5.284930 -0.5223236     8.508399 
1 1 1 12  11 5  o 109.6746 4.445362 1030.072       83.25591 1048.227       124.8535 1015.536       111.7212 110.2368 6.663745 108.5958 6.048503 1.641045       8.999439 
1 1 1 12  11 6  o 171.8716 4.585013 2530.470       134.5695 2505.915       202.0898 2550.032       180.3758 170.6772 6.933732 172.3131 6.129966 -1.635910      9.254897 
1 1 1 12  11 7  o 50.36500 17.87518 203.2539       192.8446 361.3484       450.2736 167.7412       213.4076 69.56494 26.81400 49.13633 18.57520 20.42861       32.61946 
1 1 1 12  11 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  11 9  o 121.5939 4.361560 1266.376       90.56397 1303.117       144.4838 1242.599       116.2311 122.8633 6.914559 120.3180 5.657046 2.545242       8.933828 
1 1 1 12  11 10 o 188.8870 4.384093 3056.665       141.4112 2735.037       238.8567 3230.233       175.4670 178.0084 7.857693 194.0251 5.295847 -16.01677      9.475724 
1 1 1 12  11 11 o 74.55146 5.687185 480.2116       71.85658 589.9132       114.0708 408.0438       92.52092 82.19387 8.237941 68.24353 8.097169 13.95034       11.55110 
1 1 1 12  11 12 o 186.5746 4.450326 2985.381       141.7902 2819.502       243.0820 3070.925       174.5636 180.4656 7.887811 189.0299 5.407807 -8.564346      9.563574 
1 1 1 12  11 13 f 196.5647 4.503762 3317.182       151.1760 3205.244       260.6049 3373.955       185.5951 192.1119 7.943766 197.9764 5.489732 -5.864502      9.656116 
1 1 1 12  11 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  11 15 o 50.11253 7.456090 223.1772       61.86178 -117.1740      113.7310 366.1838       73.72132 23.25858 10.97413 64.61715 6.782183 -41.35857      12.90076 
1 1 1 12  11 16 o 51.78886 6.407652 236.2867       55.45860 166.6734       112.0886 258.8522       63.81729 42.62576 13.62865 54.06398 7.082748 -11.43822      15.35921 
1 1 1 12  11 17 o 51.40002 6.468595 233.4463       55.51984 203.8796       133.7064 239.6063       61.03004 46.42216 14.88946 51.91924 7.067196 -5.497086      16.48154 
1 1 1 12  11 18 o 95.68144 4.583514 790.8584       74.89076 785.8306       139.3132 792.9019       88.81538 93.56023 8.823869 95.42094 5.473461 -1.860710      10.38361 
1 1 1 12  11 19 o 84.40069 4.905884 619.8482       70.40238 682.1091       133.3646 595.7949       82.89360 86.61916 9.154953 82.38566 5.931759 4.233498       10.90866 
1 1 1 12  11 20 o 55.78577 7.322291 280.1148       68.06975 406.8807       138.6422 239.8515       78.13564 64.32024 13.06824 50.74741 9.361293 13.57283       16.07522 
1 1 1 12  11 21 o 30.81163 9.981999 86.96127       59.97980 229.2338       110.5328 27.58298       71.40761 47.65176 13.15262 25.09675 10.33337 22.55502       16.72633 
1 1 1 12  12 0  o 49.23684 6.679759 212.0899       54.71339 242.1790       74.41309 176.6803       80.72453 52.30375 8.632524 44.24533 10.78261 8.058418       13.81250 
1 1 1 12  12 1  o 120.0775 4.156818 1234.318       85.23632 1232.492       136.1970 1235.494       109.2832 119.5569 6.697958 120.0340 5.331471 -0.4771347     8.560795 
1 1 1 12  12 2  o 193.6989 4.486135 3213.462       148.3889 3164.230       241.7395 3243.228       187.9691 191.7027 7.384438 194.4156 5.661788 -2.712891      9.305147 
1 1 1 12  12 3  o 123.5297 4.187358 1306.532       88.33109 1294.452       136.5754 1315.218       115.8143 122.5407 6.550370 123.8178 5.477435 -1.277084      8.538714 
1 1 1 12  12 4  o 107.8764 4.382120 996.7465       80.72587 921.0626       132.7094 1041.199       101.7064 103.1070 7.590605 110.1659 5.406291 -7.058907      9.319081 
1 1 1 12  12 5  o 55.45427 15.38851 281.3478       150.8611 -29.86330      395.5555 334.3216       163.1964 52.43889 23.00886 60.24107 15.70351 -7.802181      27.85691 
1 1 1 12  12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  12 7  o 48.26277 19.14322 130.0773       235.0549 0.000000       0.000000 130.0773       235.0549 ?        ?        48.26277 19.14322 0.000000       19.14322 
1 1 1 12  12 8  o 151.1144 5.034226 1958.649       129.9094 1977.112       183.9682 1940.286       183.4720 151.4835 7.111736 150.0568 7.159983 1.426620       10.09169 
1 1 1 12  12 9  o 140.9504 4.572546 1702.975       110.0592 1662.414       170.4615 1731.971       144.1263 138.6737 7.223289 141.9534 5.945596 -3.279694      9.355535 
1 1 1 12  12 10 o 143.7074 4.485241 1770.949       110.0694 1515.410       178.3794 1928.071       139.8734 132.0997 7.944472 149.7900 5.468275 -17.69023      9.644515 
1 1 1 12  12 11 o 193.0536 4.560164 3198.849       150.3351 3101.149       254.3436 3251.309       186.3767 189.1094 7.875998 194.3693 5.615158 -5.259903      9.672711 
1 1 1 12  12 12 o 115.5689 4.732699 1148.047       93.40104 1178.492       165.9884 1133.941       112.9855 115.9647 8.439953 114.5239 5.796165 1.440765       10.23857 
1 1 1 12  12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  12 14 o 193.2498 4.604061 3214.600       151.9365 3050.725       271.6832 3289.176       183.2757 186.4375 8.533508 195.1428 5.499844 -8.705353      10.15229 
1 1 1 12  12 15 o 90.54884 4.876944 709.3380       75.13261 763.7538       135.6918 685.2788       90.22600 92.69911 8.672667 88.70013 5.991830 3.998978       10.54121 
1 1 1 12  12 16 o 39.84665 8.188381 144.7767       53.85458 101.1062       108.0611 159.2076       62.11863 35.86637 13.28658 41.61520 9.002803 -5.748825      16.04942 
1 1 1 12  12 17 o 73.94470 5.000426 475.7010       62.77053 438.6472       125.7562 487.9961       72.43992 68.56542 11.12145 74.68613 5.723390 -6.120705      12.50775 
1 1 1 12  12 18 o 15.02170 7.073496 -47.93668      46.81979 -279.6678      102.3891 13.32845       52.64635 16.60690 8.329883 21.19687 8.812867 -4.589972      12.12656 
1 1 1 12  12 19 o 23.15737 9.143783 30.82958       53.40322 109.8517       129.5157 14.64248       58.61821 37.10059 14.35828 22.22079 9.273993 14.87980       17.09290 
1 1 1 12  12 20 o 69.26140 5.886086 424.2175       68.95803 585.0305       126.4558 356.1586       82.26601 79.38506 9.517971 62.56950 7.873749 16.81557       12.35264 
1 1 1 12  13 0  o 49.99204 7.334723 219.7858       60.75409 128.1301       94.65921 283.9890       79.22488 38.72403 12.53941 56.73521 8.433818 -18.01119      15.11178 
1 1 1 12  13 1  o 112.7354 15.21006 1145.867       285.3401 655.5427       546.4895 1329.642       334.5669 83.90266 30.05760 120.9842 16.63395 -37.08156      34.35328 
1 1 1 12  13 2  o 106.7700 22.74359 1092.840       401.9789 1109.495       529.1498 1070.113       618.1349 104.8070 28.71587 101.9179 31.93534 2.889015       42.94725 
1 1 1 12  13 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  13 5  o 159.0081 4.611100 2166.980       125.2062 2168.538       200.9047 2165.991       160.0993 158.5900 7.418436 158.7800 5.904619 -0.1899719     9.481440 
1 1 1 12  13 6  o 148.3752 4.449245 1886.646       112.7326 1908.614       178.0156 1871.938       145.6630 148.8336 7.004146 147.6099 5.778723 1.223694       9.080292 
1 1 1 12  13 7  o 131.5607 4.550315 1483.784       102.2279 1391.387       161.1899 1545.954       132.2205 126.7529 7.480089 134.1246 5.772826 -7.371742      9.448664 
1 1 1 12  13 8  o 51.35296 7.847614 233.2131       66.63377 301.7744       86.61801 133.8159       104.2932 58.29428 8.990314 39.67274 13.17880 18.62154       15.95326 
1 1 1 12  13 9  o 77.35239 6.028478 518.5657       79.00243 417.3800       113.7801 612.7615       109.7798 68.38802 10.04189 83.74210 7.765075 -15.35407      12.69393 
1 1 1 12  13 10 f 95.40253 4.980631 784.8672       80.86064 919.8110       134.3933 708.2974       101.2348 102.6217 7.725634 90.26966 6.613320 12.35208       10.16963 
1 1 1 12  13 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  13 12 o 158.9756 4.478325 2173.887       121.5760 2348.351       209.8965 2085.804       149.1416 164.1518 7.487857 155.3934 5.620361 8.758423       9.362503 
1 1 1 12  13 13 o 144.0824 4.486789 1787.487       110.3948 1540.324       188.8684 1915.750       136.0565 132.1233 8.414814 148.8994 5.350870 -16.77615      9.972006 
1 1 1 12  13 14 o 77.74577 5.746330 526.8325       75.74972 552.2045       145.3222 517.3669       88.76207 77.45334 11.32159 76.71471 6.847567 0.7386246      13.23131 
1 1 1 12  13 15 o 47.04589 7.414417 198.7366       57.59410 176.4079       110.7376 207.0162       67.43185 43.19043 13.51422 47.66455 8.600994 -4.474117      16.01909 
1 1 1 12  13 16 o 88.30470 5.073461 678.4802       76.18366 802.4622       153.2611 637.7912       87.79930 93.84596 9.703588 85.26337 6.069763 8.582596       11.44559 
1 1 1 12  13 17 o 100.5250 4.570530 875.5286       78.45895 790.4765       146.8865 909.4825       92.80779 92.99583 9.377480 102.0536 5.344010 -9.057747      10.79331 
1 1 1 12  13 18 o 70.64089 5.568279 438.6138       66.62598 211.1473       147.9460 496.4813       74.62109 45.75682 15.69705 75.06683 5.867853 -29.31002      16.75796 
1 1 1 12  13 19 o 55.84275 6.045451 277.5816       56.72939 274.6034       113.5210 278.5729       65.49348 52.18238 12.82949 55.54126 7.065188 -3.358875      14.64625 
1 1 1 12  14 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  14 1  o 105.3927 4.878194 952.5472       87.79530 1074.595       133.9342 860.5906       116.2565 111.4561 7.073624 99.73348 6.867993 11.72261       9.859284 
1 1 1 12  14 2  o 37.41699 9.867701 126.0964       63.95399 96.54102       84.71602 165.2597       97.51842 34.57897 11.87726 42.91774 12.52721 -8.338768      17.26268 
1 1 1 12  14 3  o 74.23155 5.807370 476.3888       73.02894 415.2946       108.5852 526.8462       98.68085 68.52023 9.538758 77.77651 7.523905 -9.256279      12.14895 
1 1 1 12  14 4  o 45.91566 8.023087 187.4240       60.61791 215.2863       92.68050 166.5943       80.13480 48.65375 11.36105 42.85624 10.91882 5.797512       15.75735 
1 1 1 12  14 5  o 98.97119 4.792007 840.4809       80.98940 907.2836       122.3309 788.3515       108.0639 102.3034 7.045311 95.40652 6.674913 6.896851       9.705198 
1 1 1 12  14 6  o 84.11308 4.892927 609.5312       69.97674 587.6584       107.7288 625.4963       92.03745 82.02237 7.784530 84.94733 6.391572 -2.924965      10.07229 
1 1 1 12  14 7  o 19.04348 8.895517 -66.80506      71.54675 18.85812       105.8819 -138.7850      97.05778 29.65121 12.42666 20.10591 9.665451 9.545305       15.74302 
1 1 1 12  14 8  o 100.3751 5.406209 870.3888       92.32443 901.9421       143.5746 848.1425       120.5545 101.3751 8.368435 98.63464 7.207245 2.740463       11.04423 
1 1 1 12  14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  14 10 o 38.52723 10.53057 136.2761       71.26106 395.4669       111.7152 -41.53806      92.53065 66.09996 10.22739 23.77890 10.73256 42.32106       14.82522 
1 1 1 12  14 11 o 66.06100 6.680808 383.1584       74.33015 258.6259       137.8548 434.2036       88.25889 51.91523 14.81845 70.13033 7.485365 -18.21510      16.60172 
1 1 1 12  14 12 o 119.2321 4.160089 1223.546       84.70283 1290.709       161.6299 1198.117       99.45325 120.9977 7.865151 117.7939 4.944179 3.203743       9.290075 
1 1 1 12  14 13 o 23.65560 9.890665 14.12086       66.84380 32.63284       100.3131 -0.6635440     89.64647 29.45507 12.19887 25.73582 11.12633 3.719255       16.51084 
1 1 1 12  14 14 o 125.4496 4.251365 1357.933       91.07506 1331.198       183.2378 1366.705       104.9576 121.8130 8.869781 125.6413 4.891922 -3.828308      10.12936 
1 1 1 12  14 15 o 65.16934 6.126460 374.7961       67.37933 401.9834       120.1072 362.3105       81.39368 65.22157 11.18661 63.49439 7.661609 1.727177       13.55878 
1 1 1 12  14 16 o 86.00104 5.013768 645.3693       73.31323 689.0622       135.0600 627.1169       87.29333 86.71216 9.264441 84.33922 6.102289 2.372940       11.09359 
1 1 1 12  14 17 o 50.56667 6.401957 228.7144       54.04315 200.0713       108.9638 238.0590       62.23748 44.64724 13.29822 51.26118 7.317554 -6.613937      15.17858 
1 1 1 12  14 18 f 25.01625 8.678483 53.17083       45.28371 89.33869       94.70122 42.44959       51.56043 32.78671 12.37884 24.15818 9.130885 8.628532       15.38209 
1 1 1 12  15 0  o 111.9258 4.657132 1074.551       89.01246 960.2270       138.0096 1155.984       116.4771 105.1064 7.743681 115.7800 5.910913 -10.67356      9.741843 
1 1 1 12  15 1  o 54.06636 7.035415 256.4278       63.41714 349.8100       93.45010 176.7115       86.34183 62.85234 8.960431 44.04444 11.39357 18.80790       14.49492 
1 1 1 12  15 2  o 57.35502 7.104208 288.3954       68.09188 259.1394       95.92624 318.1074       96.67101 53.43973 10.88144 59.62750 9.837047 -6.187771      14.66878 
1 1 1 12  15 3  o 53.19640 6.966624 248.5871       61.76490 218.7444       93.61652 271.5905       82.19189 48.88046 11.42118 55.15813 9.039255 -6.277672      14.56542 
1 1 1 12  15 4  o 147.0861 4.483604 1857.483       112.6162 2004.035       182.4826 1767.335       143.1213 152.1678 7.022582 143.1938 5.852996 8.973969       9.141893 
1 1 1 12  15 5  o 70.64061 6.421038 434.8627       76.61124 487.2500       97.13802 348.6506       124.6120 74.47952 7.751035 61.52005 12.29155 12.95947       14.53137 
1 1 1 12  15 6  o 133.1982 5.507677 1530.362       125.2762 1540.575       174.6205 1519.531       179.8290 132.7780 7.734856 131.7480 8.031427 1.030060       11.15042 
1 1 1 12  15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  15 8  o 72.83069 6.787000 464.8377       83.43794 599.4817       141.9101 393.6982       103.1515 81.49264 10.43732 66.18214 9.390456 15.31049       14.03988 
1 1 1 12  15 9  o 27.51740 10.63755 47.19842       71.02669 23.62097       121.9225 59.31040       87.38623 31.37774 13.25190 30.46953 11.79347 0.9082031      17.73976 
1 1 1 12  15 10 o 121.1886 4.762403 1267.474       98.55753 1403.029       162.8358 1189.107       123.8113 126.2679 7.587084 116.7847 6.230807 9.483170       9.817677 
1 1 1 12  15 11 o 85.14394 5.390333 630.6875       77.96943 580.7715       131.5448 657.7214       96.80744 79.98646 9.838030 86.56259 6.598734 -6.576134      11.84610 
1 1 1 12  15 12 o 25.38182 9.549161 45.20478       56.24279 154.1385       102.4448 -1.794537      67.29065 40.54789 13.03603 22.30027 9.640368 18.24762       16.21341 
1 1 1 12  15 13 o 59.86156 6.684159 318.4936       67.16109 142.3149       136.6370 374.6184       77.12034 40.31293 14.93911 64.82874 7.081429 -24.51581      16.53250 
1 1 1 12  15 14 o 52.11016 7.289785 244.9616       63.09353 194.1051       135.3848 259.0713       71.31079 44.30273 15.01727 53.30209 8.088470 -8.999352      17.05702 
1 1 1 12  15 15 o 60.17184 6.236031 321.6287       63.14690 412.1349       114.5078 282.0763       75.69767 66.07420 10.49974 55.51771 8.234093 10.55648       13.34334 
1 1 1 12  15 16 o 19.96265 8.365303 10.48835       47.97307 -142.4057      91.71447 68.07677       56.28727 18.61628 9.055378 27.98050 9.677369 -9.364218      13.25335 
1 1 1 12  15 17 o 31.44556 10.43156 91.59664       65.35172 41.94575       97.37640 132.2872       88.15298 28.92186 12.00186 36.87901 12.10977 -7.957153      17.04966 
1 1 1 12  16 0  o 45.22170 9.639374 186.0066       72.16347 76.27239       87.96293 411.8833       126.2015 32.43394 11.99297 67.30598 11.38625 -34.87204      16.53717 
1 1 1 12  16 1  o 145.2388 4.538292 1813.180       112.5582 1800.381       187.7381 1820.362       140.6382 143.6427 7.681454 145.2550 5.669835 -1.612320      9.547343 
1 1 1 12  16 2  o 46.70064 8.147937 195.6249       62.61549 316.5910       106.2022 131.1702       77.52275 58.83739 10.97376 37.99970 11.19152 20.83770       15.67397 
1 1 1 12  16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  16 5  o 63.61847 6.631701 355.3067       70.98701 430.0368       113.2043 306.8791       91.13016 69.00160 9.890148 58.22934 9.491723 10.77227       13.70795 
1 1 1 12  16 6  o 95.50658 6.097949 794.4681       98.93420 730.0388       134.3032 870.9142       146.2926 90.57305 8.794164 99.01575 8.741756 -8.442703      12.39982 
1 1 1 12  16 7  o 31.54976 11.03878 82.27486       73.33987 -63.38383      100.4107 248.8420       107.3758 23.61198 10.85630 51.20874 12.40901 -27.59676      16.48766 
1 1 1 12  16 8  o 37.40021 10.06356 129.8780       65.68446 178.4137       103.1178 96.73824       85.20750 43.41039 12.93810 33.89532 11.89625 9.515072       17.57599 
1 1 1 12  16 9  o 54.11694 7.765622 262.9384       69.70820 330.4331       111.4732 219.5962       89.32874 59.31271 11.42017 48.25912 11.07433 11.05359       15.90789 
1 1 1 12  16 10 o 20.01123 9.055179 -30.52788      66.35752 -63.13565      98.40719 -3.337588      89.86139 23.14726 10.68063 25.42480 11.06558 -2.277536      15.37930 
1 1 1 12  16 11 f 65.51694 6.337821 379.6678       70.02207 259.8265       118.6613 443.6937       86.73290 51.18723 13.41332 70.48455 7.312300 -19.29732      15.27700 
1 1 1 12  16 12 f 69.56397 5.621738 425.4972       66.21090 461.7925       122.4458 410.4993       78.71080 70.09441 10.55710 67.83092 6.890915 2.263481       12.60703 
1 1 1 12  16 13 o 33.82238 10.12343 107.7944       63.03252 177.6357       119.2781 80.73354       74.24635 42.37484 14.09464 30.84214 11.07583 11.53270       17.92576 
1 1 1 12  16 14 o 25.35632 9.661887 46.06025       58.02759 109.3195       112.3208 23.02940       67.77242 35.67219 13.47818 24.16373 10.01878 11.50846       16.79396 
1 1 1 12  16 15 o 25.32218 9.319897 50.71984       53.01418 75.36597       94.45345 39.38478       64.05535 31.39362 12.23033 25.18821 9.992492 6.205408       15.79338 
1 1 1 12  17 0  o 68.00589 6.487119 405.3138       74.42209 369.7887       117.4882 429.1208       96.17873 63.32771 11.27764 69.45249 8.272145 -6.124779      13.98619 
1 1 1 12  17 1  o 138.9668 4.308612 1662.188       102.2469 1533.016       170.6304 1734.556       127.7166 132.1487 7.593117 141.6762 5.278963 -9.527435      9.247858 
1 1 1 12  17 2  o 125.5596 5.396310 1363.892       115.7041 1485.226       157.2048 1220.473       170.9141 130.2280 7.095789 117.3246 8.590473 12.90343       11.14210 
1 1 1 12  17 3  o 98.04292 6.407956 840.1960       106.6945 0.000000       0.000000 840.1960       106.6945 ?        ?        98.04292 6.407956 0.000000       6.407956 
1 1 1 12  17 4  o 38.97711 9.735266 140.9650       64.60620 253.0026       118.2593 93.30155       77.13407 51.24215 13.37266 33.02697 11.33393 18.21518       17.52958 
1 1 1 12  17 5  o 50.54288 7.128130 228.0063       59.81473 143.9393       103.7895 269.8129       73.19183 39.67469 13.14538 54.75154 8.070263 -15.07685      15.42499 
1 1 1 12  17 6  o 32.47245 9.870743 96.10395       59.58638 57.29774       97.55338 119.1981       75.25635 31.01328 12.32263 35.97365 11.12194 -4.960375      16.59954 
1 1 1 12  17 7  o 54.33277 9.054122 270.4924       81.04957 219.4633       108.0320 336.1961       122.5852 47.50131 12.95860 59.09555 12.53577 -11.59424      18.02972 
1 1 1 12  17 8  o 30.17545 11.54708 65.44447       83.10086 52.87869       120.3301 76.90224       114.9025 32.50519 13.40240 33.81979 13.39382 -1.314606      18.94779 
1 1 1 12  17 9  o 30.70935 10.50193 82.83752       66.21606 271.6902       119.6431 -0.5506304     79.50206 52.14946 13.37156 24.02851 10.43295 28.12095       16.96010 
1 1 1 12  17 10 o 27.00419 10.19973 53.85485       64.31078 187.4127       114.4221 -7.818320      77.75414 43.35855 13.75995 23.19036 10.18766 20.16819       17.12089 
1 1 1 12  17 11 o 18.12791 8.376428 -41.92070      60.84491 -39.63671      104.9279 -43.07777      74.68320 24.87329 11.30711 20.42087 9.379348 4.452419       14.69091 
1 1 1 12  17 12 o 33.24354 10.07948 104.8414       62.19088 11.33308       114.1175 144.3454       74.17329 28.63240 12.46579 38.50381 10.82784 -9.871410      16.51175 
1 1 1 12  17 13 o 52.71422 7.205672 253.0675       63.16546 294.8076       122.1194 237.8214       73.80537 53.32192 13.42130 50.27297 8.923944 3.048954       16.11732 
1 1 1 12  18 0  o 83.34259 4.851879 602.8721       68.75365 573.7067       109.9594 621.5939       88.09899 80.12098 8.150302 84.21535 6.168937 -4.094368      10.22170 
1 1 1 12  18 1  o 56.50582 7.135197 284.6008       67.31477 333.9423       106.6773 251.9555       86.77129 59.79176 10.84738 52.04451 10.12782 7.747242       14.84043 
1 1 1 12  18 2  o 56.35509 6.736090 282.0661       63.54038 212.2659       103.5940 324.1629       80.45084 46.84598 12.65219 60.00019 8.055379 -13.15421      14.99890 
1 1 1 12  18 3  o 42.82829 9.217301 170.4908       65.41480 301.9068       118.3844 112.7305       78.48477 55.77879 12.71175 35.13430 11.42107 20.64449       17.08887 
1 1 1 12  18 4  o 80.68444 6.372473 574.0487       87.08640 575.7197       142.4008 573.0504       110.0689 78.50167 10.91822 79.80403 8.193021 -1.302361      13.65039 
1 1 1 12  18 5  o 56.76801 7.825387 291.6750       73.84328 0.000000       0.000000 291.6750       73.84328 ?        ?        56.76801 7.825387 0.000000       7.825387 
1 1 1 12  18 6  o 26.66586 9.910774 54.10767       60.22300 4.564900       124.9105 69.11142       68.73986 29.65432 12.97266 29.17709 10.63157 0.4772301      16.77261 
1 1 1 12  18 7  o 36.76423 9.774421 128.6603       62.42286 -89.29252      131.1792 192.4613       70.97368 25.78216 12.04387 45.13699 9.508152 -19.35483      15.34469 
1 1 1 12  18 8  o 52.66157 7.510330 252.1891       65.62560 274.1186       116.3495 241.9574       79.47410 52.09195 13.09417 50.66481 9.535731 1.427139       16.19838 
1 1 1 12  18 9  o 89.23074 6.742900 710.4885       101.9872 763.2820       140.3186 651.3661       148.4914 90.89428 9.165284 82.75455 10.76240 8.139732       14.13619 
1 1 1 12  18 10 o 56.73595 6.787650 290.3520       64.45712 354.6489       121.2004 264.9946       76.11346 59.51846 12.33023 53.30350 8.659052 6.214951       15.06697 
1 1 1 12  18 11 o 102.3396 4.735505 914.6139       82.75834 1062.991       152.6126 852.8060       98.49843 107.5566 8.375075 98.05684 5.909948 9.499779       10.25033 
1 1 1 12  19 0  o 34.17689 10.27795 109.8279       64.85852 -6.962892      117.4618 161.0544       77.79287 28.22470 12.45573 40.87256 10.93256 -12.64786      16.57305 
1 1 1 12  19 1  o 97.09262 5.155502 823.9751       85.17262 858.1711       136.6841 802.2681       108.9004 97.34010 8.302256 95.02023 6.755390 2.319878       10.70340 
1 1 1 12  19 2  o 92.96040 5.289922 757.0380       83.62763 820.7647       150.8983 728.7890       100.4675 94.24368 9.506140 90.60297 6.537448 3.640709       11.53711 
1 1 1 12  19 3  o 55.71128 7.246825 280.7127       67.31120 156.2797       111.8154 351.4340       84.29630 40.02879 13.64723 61.99281 8.161158 -21.96403      15.90131 
1 1 1 12  19 4  o 35.72553 10.26726 122.4400       65.96412 118.2655       105.2667 125.1391       84.64422 36.13488 13.15803 36.18935 11.86549 -0.5446625E-01 17.71789 
1 1 1 12  19 5  o 26.04932 9.919739 49.43529       61.14214 -53.99823      104.0576 103.9758       75.56189 23.93419 11.02192 33.43361 11.21965 -9.499418      15.72779 
1 1 1 12  19 6  o 29.62547 11.24660 68.86768       78.43986 167.4216       130.6819 13.36326       98.07142 41.04061 14.69887 26.98872 11.65275 14.05189       18.75749 
1 1 1 12  19 7  f 57.02669 8.986382 305.1584       84.61446 0.000000       0.000000 305.1584       84.61446 ?        ?        57.02669 8.986382 0.000000       8.986382 
1 1 1 12  19 8  o 66.45355 6.647939 397.7864       74.42883 496.6123       147.4781 364.0137       86.21352 69.86962 12.83346 62.67978 8.255496 7.189838       15.25945 
1 1 1 12  20 0  o 69.49453 6.246588 430.8077       73.33830 450.0572       116.2744 418.0904       94.50830 68.72040 10.21932 67.32037 8.404001 1.400032       13.23109 
1 1 1 12  20 1  o 48.96384 8.876854 225.7608       71.48948 176.0574       106.7555 266.1716       96.25993 41.52343 13.30304 51.97156 11.17810 -10.44813      17.37587 
1 1 1 12  20 2  o 99.59226 5.280941 873.1136       89.49200 687.5859       157.6733 961.2845       108.6966 84.01855 11.27399 103.9642 6.149877 -19.94561      12.84227 
1 1 1 12  20 3  f 37.82569 10.14918 140.1214       66.91955 255.3051       128.0538 96.84647       78.49022 48.65709 14.39874 32.38643 11.41360 16.27066       18.37373 
1 1 1 12  20 4  o 46.58383 8.318886 203.8923       63.74823 253.7287       112.1843 180.1257       77.47163 49.16086 13.11921 42.58761 10.67366 6.573250       16.91273 
1 1 1 12  20 5  o 23.11600 10.38994 -19.38267      85.66803 35.88423       126.6156 -66.04408      116.3412 30.69783 13.24732 24.51141 11.41396 6.186422       17.48628 
1 1 1 13  0  0  o 475.4407 11.82557 19376.94       958.7669 19376.94       958.7669 19376.94       958.7669 475.4407 11.82557 475.4407 11.82557 0.000000       0.000000 
1 1 1 13  0  1  o 360.5348 7.727316 11124.14       475.2556 11124.14       475.2556 11124.14       475.2556 360.5348 7.727316 360.5348 7.727316 0.000000       0.000000 
1 1 1 13  0  2  o 225.9189 7.865581 4378.090       302.6148 4378.090       302.6148 4378.090       302.6148 225.9189 7.865581 225.9189 7.865581 0.000000       0.000000 
1 1 1 13  0  3  o 450.2607 6.991781 17337.25       537.3011 17337.25       537.3011 17337.25       537.3011 450.2607 6.991781 450.2607 6.991781 0.000000       0.000000 
1 1 1 13  0  4  o 291.3328 6.968963 7265.935       346.2564 7265.935       346.2564 7265.935       346.2564 291.3328 6.968963 291.3328 6.968963 0.000000       0.000000 
1 1 1 13  0  5  o 988.0709 15.64541 83864.17       2638.344 83864.17       2638.344 83864.17       2638.344 988.0709 15.64541 988.0709 15.64541 0.000000       0.000000 
1 1 1 13  0  6  o 42.92625 10.75442 184.3650       68.19286 184.3650       68.19286 184.3650       68.19286 42.92625 10.75442 42.92625 10.75442 0.000000       0.000000 
1 1 1 13  0  7  o 101.2961 7.850983 893.3718       133.9297 893.3718       133.9297 893.3718       133.9297 101.2961 7.850983 101.2961 7.850983 0.000000       0.000000 
1 1 1 13  0  8  o 208.6668 5.236261 3728.398       186.3195 3728.398       186.3195 3728.398       186.3195 208.6668 5.236261 208.6668 5.236261 0.000000       0.000000 
1 1 1 13  0  9  o 287.2293 6.184316 7065.329       303.0175 7065.329       303.0175 7065.329       303.0175 287.2293 6.184316 287.2293 6.184316 0.000000       0.000000 
1 1 1 13  0  10 o 77.15218 5.345390 516.2061       69.64912 516.2061       69.64912 516.2061       69.64912 77.15218 5.345390 77.15218 5.345390 0.000000       0.000000 
1 1 1 13  0  11 o 428.5833 8.239331 15757.93       602.5137 15757.93       602.5137 15757.93       602.5137 428.5833 8.239331 428.5833 8.239331 0.000000       0.000000 
1 1 1 13  0  12 o 417.5072 8.129929 14959.08       579.1364 14959.08       579.1364 14959.08       579.1364 417.5072 8.129929 417.5072 8.129929 0.000000       0.000000 
1 1 1 13  0  13 o 65.79222 6.880269 382.6678       75.36535 382.6678       75.36535 382.6678       75.36535 65.79222 6.880269 65.79222 6.880269 0.000000       0.000000 
1 1 1 13  0  14 o 126.9355 19.13868 1497.374       386.9921 1497.374       386.9921 1497.374       386.9921 126.9355 19.13868 126.9355 19.13868 0.000000       0.000000 
1 1 1 13  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0  16 o 23.08319 13.18971 59.50703       81.84945 59.50703       81.84945 59.50703       81.84945 23.08319 13.18971 23.08319 13.18971 0.000000       0.000000 
1 1 1 13  0  17 o 94.61350 6.363356 777.2991       101.7440 777.2991       101.7440 777.2991       101.7440 94.61350 6.363356 94.61350 6.363356 0.000000       0.000000 
1 1 1 13  0  18 f 27.54581 14.70330 95.49382       94.19186 95.49382       94.19186 95.49382       94.19186 27.54581 14.70330 27.54581 14.70330 0.000000       0.000000 
1 1 1 13  0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0  20 o 84.98936 6.432292 631.3637       92.12435 631.3637       92.12435 631.3637       92.12435 84.98936 6.432292 84.98936 6.432292 0.000000       0.000000 
1 1 1 13  0  21 o 219.0706 5.810611 4133.589       217.0284 4133.589       217.0284 4133.589       217.0284 219.0706 5.810611 219.0706 5.810611 0.000000       0.000000 
1 1 1 13  0  22 o 29.82242 13.67582 114.4687       76.11996 114.4687       76.11996 114.4687       76.11996 29.82242 13.67582 29.82242 13.67582 0.000000       0.000000 
1 1 1 13  0  23 o 61.89638 9.581738 357.2488       94.05144 357.2488       94.05144 357.2488       94.05144 61.89638 9.581738 61.89638 9.581738 0.000000       0.000000 
1 1 1 13  0  24 o 82.55112 7.557843 606.8325       104.4892 606.8325       104.4892 606.8325       104.4892 82.55112 7.557843 82.55112 7.557843 0.000000       0.000000 
1 1 1 13  0  25 o 42.81263 14.27507 210.7147       92.99557 210.7147       92.99557 210.7147       92.99557 42.81263 14.27507 42.81263 14.27507 0.000000       0.000000 
1 1 1 13  1  0  o 135.2407 4.846078 1562.782       111.9180 1540.719       137.8188 1605.506       191.7831 134.2568 6.011327 136.7362 8.252105 -2.479401      10.20947 
1 1 1 13  1  1  o 431.0644 5.904091 15882.94       434.6074 16824.51       730.4979 15367.06       540.7144 443.2529 9.650846 423.8669 7.470274 19.38605       12.20426 
1 1 1 13  1  2  f 579.5234 7.962555 28735.41       787.9985 26749.03       1326.237 29819.29       979.6758 557.9438 13.91967 590.0510 9.722791 -32.10718      16.97910 
1 1 1 13  1  3  o 607.1500 8.542849 31555.17       885.7285 29845.36       1491.340 32486.95       1100.929 588.9653 14.82808 615.6553 10.47176 -26.69000      18.15296 
1 1 1 13  1  4  o 499.3949 6.495421 21328.54       553.9280 19499.14       931.1439 22330.57       689.1304 476.6905 11.43875 510.7937 7.900488 -34.10324      13.90189 
1 1 1 13  1  5  o 131.1155 3.631355 1468.702       81.30638 1368.095       103.3548 1632.055       131.6980 126.5179 4.783839 138.1598 5.582072 -11.64190      7.351506 
1 1 1 13  1  6  o 231.8226 4.798491 4594.129       189.9601 4790.034       331.9062 4498.700       231.6521 236.4402 8.220382 229.3309 5.915231 7.109283       10.12742 
1 1 1 13  1  7  o 186.9533 3.836226 2986.948       122.4727 3048.975       202.3062 2951.065       153.8729 188.7428 6.276781 185.7772 4.850290 2.965576       7.932420 
1 1 1 13  1  8  o 78.50574 4.339963 528.5554       57.95620 519.0202       70.70655 548.0786       101.1747 77.70103 5.361627 79.60352 7.532378 -1.902481      9.245742 
1 1 1 13  1  9  o 238.6070 3.917161 4867.534       159.6087 5150.038       228.1881 4596.926       223.3318 245.2832 5.447827 231.7160 5.644075 13.56723       7.844387 
1 1 1 13  1  10 o 154.6506 3.427789 2044.422       90.52477 1991.761       129.9295 2094.098       126.1949 152.5487 4.987665 156.4380 4.723867 -3.889328      6.869624 
1 1 1 13  1  11 o 38.21780 6.437099 128.6682       40.51751 140.6576       59.56257 118.3416       55.27786 39.63697 9.004631 36.35770 8.960861 3.279270       12.70356 
1 1 1 13  1  12 o 137.8366 3.701531 1624.870       87.12605 1628.078       129.4301 1622.212       117.8167 137.8354 5.498857 137.6292 5.012964 0.2062531      7.440917 
1 1 1 13  1  13 o 142.2001 3.479784 1729.284       84.49948 1763.507       122.6326 1698.346       116.5964 143.4778 5.005174 140.8165 4.848751 2.661362       6.968655 
1 1 1 13  1  14 o 154.3940 12.19283 2090.294       318.8511 2246.248       448.9698 1931.596       452.9031 158.2449 16.87471 145.8696 18.60558 12.37531       25.11819 
1 1 1 13  1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1  16 o 150.8797 5.470590 1952.861       140.9506 1969.053       194.1850 1934.829       204.9162 151.1893 7.521296 149.5637 8.052879 1.625641       11.01902 
1 1 1 13  1  17 o 111.5285 4.312892 1065.546       82.14033 1182.286       123.6326 973.2936       109.9035 117.1131 6.204069 106.2486 6.082679 10.86456       8.688467 
1 1 1 13  1  18 o 65.25334 5.357044 368.3070       59.16714 459.9480       94.68609 309.6007       75.78503 72.51034 7.767773 59.35772 7.654986 13.15262       10.90583 
1 1 1 13  1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  1  20 o 159.9546 3.889894 2195.533       106.2518 2213.142       154.2648 2179.640       146.5569 160.1542 5.640614 159.0075 5.397424 1.146713       7.806966 
1 1 1 13  1  21 o 118.6518 4.253629 1210.714       86.18582 1281.828       123.3356 1142.849       120.4847 121.6748 5.935894 114.6660 6.175887 7.008728       8.566004 
1 1 1 13  1  22 o 158.4962 4.037476 2161.384       109.2775 2202.063       155.4582 2121.651       153.6412 159.3736 5.712093 156.4201 5.751925 2.953537       8.106334 
1 1 1 13  1  23 o 31.40384 10.19282 87.84143       62.52048 144.2372       92.12832 39.69789       85.12143 39.25999 12.33338 28.17586 11.40164 11.08413       16.79612 
1 1 1 13  1  24 f 32.27319 10.78718 92.80083       69.84628 16.60936       102.2337 159.4948       95.64980 28.21257 12.03349 40.80026 12.52618 -12.58769      17.36981 
1 1 1 13  1  25 o 24.01046 9.962801 21.05111       67.09040 -15.39861      93.75047 59.31218       96.05167 24.89856 11.05069 30.55559 12.20007 -5.657030      16.46085 
1 1 1 13  2  0  o 178.1221 3.898523 2710.276       118.5823 2317.734       184.3617 2987.271       154.8690 164.6474 6.557133 186.9787 4.850322 -22.33130      8.156078 
1 1 1 13  2  1  o 281.6049 4.849448 6776.117       233.2032 7009.405       381.5570 6637.008       294.6401 286.2393 7.805993 278.6329 6.192378 7.606415       9.963888 
1 1 1 13  2  2  o 337.0925 4.892213 9710.047       281.6154 9890.058       479.2670 9615.119       348.0366 339.9489 8.255854 335.3670 6.077188 4.581848       10.25141 
1 1 1 13  2  3  o 153.8094 3.982613 2021.094       104.6051 2037.140       167.4082 2010.816       133.9812 154.3505 6.351359 153.3892 5.115016 0.9612885      8.154946 
1 1 1 13  2  4  f 130.0186 4.420454 1444.523       98.14640 1417.220       136.1633 1474.047       141.5960 128.7354 6.193842 131.2870 6.315786 -2.551590      8.846064 
1 1 1 13  2  5  o 101.5896 5.056272 882.2457       87.71655 1024.029       253.0486 862.8825       93.51458 108.1380 14.03417 100.3091 5.480044 7.828873       15.06615 
1 1 1 13  2  6  o 90.32655 3.781714 697.1747       58.33190 747.7639       94.04981 665.5483       74.36260 93.30556 5.933498 88.08967 4.963649 5.215897       7.735904 
1 1 1 13  2  7  o 162.8731 3.472371 2266.758       96.57783 2190.325       137.6719 2340.817       135.5169 160.0356 5.037639 165.4546 4.796371 -5.419037      6.955788 
1 1 1 13  2  8  o 129.3003 3.634002 1428.915       80.23918 1497.350       131.3170 1388.140       101.3627 132.2570 5.814342 127.4010 4.659118 4.856010       7.450768 
1 1 1 13  2  9  o 159.6538 3.955899 2179.389       107.8515 2182.230       135.9494 2174.564       177.1532 159.6925 4.985295 159.2876 6.512763 0.4049225      8.201783 
1 1 1 13  2  10 o 116.8345 3.520716 1166.944       70.24315 1224.628       103.6934 1118.026       95.49047 119.6077 5.076799 114.2938 4.892553 5.313911       7.050600 
1 1 1 13  2  11 o 226.8239 3.868953 4400.241       149.8595 4586.772       221.6994 4243.304       203.3536 231.3683 5.611238 222.5726 5.350303 8.795715       7.753176 
1 1 1 13  2  12 o 314.9857 4.590527 8493.400       246.9194 8539.267       353.7757 8449.833       344.7911 315.4068 6.568331 313.7843 6.434619 1.622528       9.194961 
1 1 1 13  2  13 o 80.55721 4.121810 556.8013       56.51158 568.8378       89.87533 548.9308       72.67574 81.13020 6.542816 79.84924 5.360968 1.280960       8.458630 
1 1 1 13  2  14 o 116.7889 12.82572 1205.282       251.5790 1020.462       346.9413 1410.230       365.3446 104.8164 20.11470 124.6953 17.65039 -19.87888      26.76074 
1 1 1 13  2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  2  16 o 117.9953 4.101631 1191.951       82.64625 1338.234       132.4864 1098.765       105.7430 124.8111 6.216074 113.1717 5.471570 11.63943       8.281162 
1 1 1 13  2  17 o 88.50318 4.597020 673.1696       69.23716 729.5690       112.6748 638.9539       87.76115 91.71794 7.253181 86.01599 6.012588 5.701950       9.421245 
1 1 1 13  2  18 o 187.3657 4.018984 3008.700       128.5903 3044.437       187.3085 2976.843       176.8502 188.0869 5.831726 186.0520 5.566333 2.034836       8.061829 
1 1 1 13  2  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  2  20 o 123.3845 6.394631 1321.374       134.2720 1159.544       229.6534 1405.427       165.5086 113.2122 12.06481 126.8083 7.679335 -13.59603      14.30146 
1 1 1 13  2  21 o 73.89663 5.556736 474.6941       69.60736 480.8167       106.8018 470.1730       91.77705 73.45683 8.682106 73.02570 7.464571 0.4311218      11.44984 
1 1 1 13  2  22 o 56.82608 7.036276 286.2813       66.82001 278.3532       94.91380 294.0719       94.08718 54.85070 10.51585 56.56626 10.11138 -1.715561      14.58846 
1 1 1 13  2  23 o 79.94878 5.392139 557.5670       73.18638 464.0180       111.0423 629.4140       97.31350 71.38598 9.332475 84.45184 6.805556 -13.06586      11.55035 
1 1 1 13  2  24 o 52.90377 7.782733 253.1740       68.20937 353.0634       114.9706 198.9185       84.73226 60.91639 11.47318 45.62725 11.00273 15.28914       15.89635 
1 1 1 13  2  25 o 37.70297 10.15639 135.7022       66.85749 98.48704       87.54752 187.7734       103.5578 33.57901 12.03043 43.49039 12.96652 -9.911377      17.68791 
1 1 1 13  3  0  o 175.8387 5.027421 2642.142       150.9599 2570.384       206.6818 2724.200       221.0177 173.3687 6.981191 178.4696 7.252055 -5.100830      10.06625 
1 1 1 13  3  1  f 236.3899 5.472902 4776.042       220.9268 3736.445       305.8305 5910.596       319.4926 208.9325 8.571816 262.8809 7.117047 -53.94846      11.14129 
1 1 1 13  3  2  o 163.9180 3.980945 2295.462       111.4332 2174.637       173.7982 2379.806       145.2081 159.4750 6.381910 166.8722 5.095713 -7.397217      8.166704 
1 1 1 13  3  3  o 629.6242 10.61353 33995.23       1141.151 34720.53       1581.198 33206.81       1648.570 635.0876 14.57977 620.7415 15.55231 14.34619       21.31769 
1 1 1 13  3  4  o 273.6442 5.322828 6401.532       248.7314 5848.631       840.1030 6454.656       260.4066 258.9783 19.13166 274.7624 5.549998 -15.78409      19.92041 
1 1 1 13  3  5  o 86.77707 4.370559 645.2112       64.55782 712.6024       100.7123 598.2062       84.11104 91.02528 6.522396 83.41747 5.943514 7.607811       8.824228 
1 1 1 13  3  6  o 284.0070 4.843080 6896.533       234.8836 6677.262       392.9429 7018.439       292.9897 279.0898 8.244864 286.4013 5.990670 -7.311493      10.19146 
1 1 1 13  3  7  f 191.9258 4.011582 3148.636       131.4774 3187.459       218.7751 3126.687       164.4965 192.9186 6.640825 191.1942 5.038254 1.724335       8.335740 
1 1 1 13  3  8  f 240.8340 4.493086 4960.467       184.7841 5068.052       307.9209 4899.918       231.0023 243.0869 7.417809 239.2449 5.654207 3.842056       9.327054 
1 1 1 13  3  9  f 325.5842 5.413172 9075.917       300.9658 9359.968       505.7579 8920.179       374.4905 329.8492 8.978944 322.5234 6.799509 7.325806       11.26298 
1 1 1 13  3  10 o 142.6897 4.124229 1741.496       100.4933 1805.482       130.7754 1649.227       157.0407 145.2062 5.273986 138.6647 6.632000 6.541504       8.473392 
1 1 1 13  3  11 o 125.0375 3.719361 1337.071       79.41646 1425.213       121.0043 1270.376       105.2584 128.9700 5.494269 121.7954 5.060857 7.174629       7.469891 
1 1 1 13  3  12 o 82.87499 4.344218 589.4536       61.26641 619.7644       89.38785 562.5988       84.13787 84.76332 6.218853 80.74715 6.148058 4.016167       8.744870 
1 1 1 13  3  13 o 122.6747 4.493395 1288.514       94.13071 1309.321       130.4478 1265.909       135.9655 123.3514 6.212777 121.2239 6.592872 2.127571       9.058949 
1 1 1 13  3  14 o 164.0462 13.23266 2370.369       367.5399 2606.388       504.4761 2103.367       536.5668 170.1255 17.62023 150.7921 21.44130 19.33342       27.75251 
1 1 1 13  3  15 o 100.8675 4.160480 870.9428       71.66327 837.1298       113.8509 893.1306       92.22569 98.44769 6.814099 101.9245 5.317155 -3.476768      8.643152 
1 1 1 13  3  16 o 220.1515 4.077538 4149.368       153.2927 4467.754       224.1552 3869.647       210.1037 228.1385 5.753714 212.3112 5.795072 15.82729       8.166277 
1 1 1 13  3  17 o 189.5666 4.093248 3078.269       132.5049 2975.448       196.6352 3163.795       179.3375 185.9857 6.191269 191.9373 5.471542 -5.951538      8.262542 
1 1 1 13  3  18 o 109.1721 4.254165 1022.210       79.30998 1093.807       123.4070 971.8317       103.5185 112.4245 6.455081 106.1033 5.734594 6.321167       8.634444 
1 1 1 13  3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  3  20 o 75.51759 5.590090 494.9771       71.57684 454.1574       109.8361 525.1079       94.36592 71.31387 9.236197 77.38473 7.224540 -6.070854      11.72610 
1 1 1 13  3  21 o 56.02041 6.907219 277.2073       64.67772 320.9658       114.6986 256.8062       78.31674 58.68051 11.85427 53.30494 8.918798 5.375568       14.83472 
1 1 1 13  3  22 o 40.49117 8.829444 150.7121       59.33084 221.1339       98.86225 111.0717       74.17304 48.24533 12.03865 35.02474 11.07471 13.22059       16.35782 
1 1 1 13  3  23 o 72.59609 5.973108 462.7260       73.39138 505.8127       114.2519 432.4571       95.76127 74.59951 9.161153 69.30718 8.253448 5.292328       12.33070 
1 1 1 13  3  24 o 52.97370 7.757051 253.9866       68.09207 245.6981       104.3001 260.1433       89.89180 50.21225 12.26846 52.53431 10.38825 -2.322063      16.07578 
1 1 1 13  3  25 o 69.97459 6.235169 434.1120       73.72524 414.4814       126.2607 444.2677       90.81519 65.47452 11.72309 70.12651 7.710938 -4.651993      14.03172 
1 1 1 13  4  0  o 61.02556 7.230635 323.0010       73.88574 415.3284       91.29258 147.7022       125.7939 69.22762 7.861865 42.93094 14.47596 26.29667       16.47308 
1 1 1 13  4  1  o 246.2189 4.999135 5180.929       210.1929 4936.729       297.4305 5424.561       297.0851 240.2263 7.250417 251.8380 6.908084 -11.61169      10.01450 
1 1 1 13  4  2  o 590.4568 12.96182 29962.14       1306.942 30244.12       1405.592 28162.23       3551.226 592.9465 13.88167 558.2394 37.46981 34.70703       39.95857 
1 1 1 13  4  3  o 445.5555 7.271046 16989.09       553.2234 14664.70       1939.919 17194.86       577.1917 406.6500 28.10830 448.2067 7.541188 -41.55676      29.10233 
1 1 1 13  4  4  o 258.0154 4.212815 5689.142       185.6179 5419.158       307.9234 5843.244       232.6365 251.6084 7.166640 261.4252 5.211088 -9.816849      8.860935 
1 1 1 13  4  5  o 227.6258 4.636310 4429.416       180.2171 4334.035       299.9243 4483.313       225.4565 224.9091 7.809130 228.9299 5.767112 -4.020752      9.707836 
1 1 1 13  4  6  o 428.3621 6.489363 15710.70       474.6953 14462.24       798.7734 16392.37       590.2277 409.8059 11.41415 437.2642 7.904488 -27.45834      13.88394 
1 1 1 13  4  7  o 50.44234 5.428983 220.2512       46.02796 235.9478       67.24870 206.4172       63.13282 51.87202 7.836142 48.43380 7.905969 3.438221       11.13146 
1 1 1 13  4  8  o 83.39191 4.091367 594.6601       58.26320 552.4166       92.15744 622.7866       75.19830 79.98318 6.812202 85.14472 5.196759 -5.161537      8.568104 
1 1 1 13  4  9  o 262.4009 4.668241 5891.748       209.1802 5978.759       350.5286 5843.624       260.6858 263.8239 7.780496 261.1665 5.845181 2.657440       9.731509 
1 1 1 13  4  10 o 181.5819 4.166615 2820.655       129.1986 2880.157       215.7071 2787.367       161.3403 183.1823 6.895711 180.4071 5.237057 2.775162       8.658960 
1 1 1 13  4  11 o 239.2784 5.295247 4905.264       216.3674 5001.233       304.2560 4807.075       307.7533 241.2192 7.386273 236.4398 7.622200 4.779419       10.61390 
1 1 1 13  4  12 o 110.4282 4.687842 1044.232       88.40054 1038.015       120.1208 1051.578       130.5658 109.7724 6.436149 110.4080 6.960746 -0.6356201     9.480295 
1 1 1 13  4  13 o 43.67715 7.739303 169.0623       55.61111 239.8448       69.78555 45.90585       92.05157 52.15916 8.097460 30.38870 12.00305 21.77046       14.47902 
1 1 1 13  4  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  4  15 o 115.7238 3.954490 1146.227       78.14752 1225.421       119.9735 1087.863       102.9941 119.4797 5.880159 112.6255 5.355177 6.854263       7.953251 
1 1 1 13  4  16 o 15.59098 7.126458 -28.59328      42.40990 -107.9872      75.59475 7.872272       51.23178 17.87265 8.575527 20.79962 8.674519 -2.926975      12.19783 
1 1 1 13  4  17 o 123.4333 3.861552 1304.968       81.39472 1393.280       125.5179 1240.882       106.9240 127.2953 5.774194 120.2101 5.208736 7.085190       7.776391 
1 1 1 13  4  18 o 142.3233 4.071505 1737.240       98.95390 1749.595       143.8658 1726.147       136.3226 142.4775 5.913018 141.5795 5.638527 0.8980255      8.170482 
1 1 1 13  4  19 o 38.81056 9.996562 137.6054       66.65718 -180.7272      125.5389 262.5881       78.66160 22.66445 10.91978 54.14899 8.809758 -31.48454      14.03044 
1 1 1 13  4  20 o 68.85381 5.758146 412.6402       67.08224 496.2455       107.9472 360.0401       85.62247 74.73673 8.615948 63.68902 8.052591 11.04771       11.79317 
1 1 1 13  4  21 o 26.42322 10.08074 45.65884       63.21600 96.01592       111.5036 21.80614       76.74098 35.81978 13.45147 25.82440 10.68040 9.995380       17.17594 
1 1 1 13  4  22 o 40.23397 9.429165 150.2224       63.65376 96.46097       101.3371 185.2579       81.80649 34.84671 12.87497 44.35032 10.88305 -9.503613      16.85840 
1 1 1 13  4  23 o 89.98390 6.891747 716.1019       105.0950 818.5416       227.3474 688.2626       118.5183 90.70883 15.21587 87.68513 8.003321 3.023697       17.19232 
1 1 1 13  4  24 o 27.80127 10.17255 60.92977       63.02637 142.0075       98.61974 4.952454       81.94434 38.74543 12.81268 24.77927 10.67531 13.96617       16.67714 
1 1 1 13  4  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  5  0  o 284.9973 5.725652 6943.787       278.6555 6712.840       391.8414 7180.083       396.3541 280.0345 8.194017 289.6325 8.013720 -9.598022      11.46131 
1 1 1 13  5  1  o 184.2144 6.571519 2902.582       206.7242 2844.832       226.5377 3190.076       505.4473 182.3363 7.275541 191.7312 15.57220 -9.394821      17.18799 
1 1 1 13  5  2  o 117.0222 6.756489 1175.550       134.4435 1106.369       415.0280 1183.660       142.1062 110.6277 22.72929 117.3920 7.122476 -6.764206      23.81912 
1 1 1 13  5  3  o 65.86505 5.753413 373.8543       64.06216 400.0870       91.12589 348.2213       90.07835 67.87421 8.016812 63.17228 8.571446 4.701935       11.73623 
1 1 1 13  5  4  o 84.10478 4.667545 606.5831       66.77319 663.5972       100.4287 561.4090       89.39460 87.78651 6.751032 80.72498 6.541111 7.061523       9.400136 
1 1 1 13  5  5  o 83.79540 4.584779 602.1454       65.35682 528.7272       101.7573 653.6998       85.27001 78.16260 7.724770 87.21535 5.757738 -9.052757      9.634501 
1 1 1 13  5  6  o 344.0833 5.483191 10131.86       322.1801 10007.56       540.2492 10200.47       401.3600 341.2445 9.270999 345.0328 6.811955 -3.788300      11.50453 
1 1 1 13  5  7  o 119.9146 3.937899 1229.430       80.63777 1164.725       126.2161 1274.056       104.8195 116.4166 6.373087 122.0194 5.030502 -5.602806      8.119248 
1 1 1 13  5  8  o 368.8917 5.841599 11657.78       367.9871 12130.83       618.0188 11397.95       458.0332 375.2267 9.645086 364.4017 7.360624 10.82498       12.13287 
1 1 1 13  5  9  o 159.4517 3.939588 2174.454       107.2709 2277.521       175.8507 2113.371       135.3759 162.9747 6.318616 157.1128 5.045773 5.861893       8.086082 
1 1 1 13  5  10 o 177.7971 5.000212 2707.188       151.8151 2758.237       213.4218 2654.898       215.9994 179.2132 6.973755 175.7912 7.195376 3.422043       10.02032 
1 1 1 13  5  11 o 186.9845 4.086142 2991.760       130.4731 3261.091       217.7221 2840.841       162.9791 194.8894 6.542028 182.0798 5.241654 12.80960       8.382903 
1 1 1 13  5  12 f 139.4264 4.868023 1665.317       115.9043 1658.456       163.7189 1672.210       164.1087 138.9077 6.901931 139.4841 6.889771 -0.5764160     9.752211 
1 1 1 13  5  13 o 29.11511 14.38039 -557.8495      260.2992 -607.2574      351.7203 -498.0179      387.0474 35.90893 17.52549 40.53094 19.43586 -4.622013      26.17051 
1 1 1 13  5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  5  15 o 174.2958 4.235540 2601.406       126.0659 2424.426       217.2480 2691.255       154.7936 167.7263 7.584953 177.1622 5.116582 -9.435974      9.149367 
1 1 1 13  5  16 o 100.6499 4.002885 867.5776       68.80003 920.2288       109.7367 833.4783       88.31213 103.2504 6.253325 98.40427 5.274587 4.846153       8.180791 
1 1 1 13  5  17 o 167.2563 3.998887 2397.605       114.2151 2360.768       170.9459 2427.311       153.5069 165.5655 6.046262 168.0393 5.349522 -2.473801      8.073083 
1 1 1 13  5  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  5  19 o 132.3819 4.025955 1504.625       91.01215 1520.198       142.4379 1493.879       118.3144 132.5393 6.293309 131.6516 5.262713 0.8877106      8.203773 
1 1 1 13  5  20 o 40.27909 8.758749 148.0226       58.52864 93.81910       100.5438 175.8046       71.98188 34.91663 12.83736 43.70579 9.877034 -8.789158      16.19733 
1 1 1 13  5  21 o 53.64622 7.264477 256.1028       64.83787 194.1383       104.3881 295.0239       82.73164 45.23982 12.88859 57.16169 8.754280 -11.92186      15.58054 
1 1 1 13  5  22 f 44.78276 8.688760 184.1597       64.04919 155.6778       103.8399 201.6497       81.37215 40.72075 13.12794 46.29001 10.53134 -5.569260      16.83009 
1 1 1 13  5  23 o 94.76788 5.013198 781.6646       80.84078 954.8521       139.9464 694.9335       99.03549 103.3127 7.994664 88.72684 6.583271 14.58586       10.35636 
1 1 1 13  5  24 o 111.7647 7.015106 1110.506       133.2088 1079.692       305.9737 1117.712       147.9676 99.31275 18.72850 111.6022 7.813406 -12.28944      20.29300 
1 1 1 13  6  0  o 407.2750 10.04676 14227.41       698.7401 14318.19       757.3372 13707.90       1811.651 408.4163 10.85886 393.3412 27.13738 15.07513       29.22931 
1 1 1 13  6  1  o 141.8326 5.449389 1720.137       131.9854 1194.127       438.7985 1772.461       138.3943 114.8058 23.18058 143.9666 5.629305 -29.16074      23.85431 
1 1 1 13  6  2  o 236.6866 4.908352 4789.501       198.3861 4917.304       285.9922 4670.966       275.4265 239.6620 6.988005 233.5891 6.904801 6.072845       9.823874 
1 1 1 13  6  3  o 107.2044 4.386356 982.4349       80.30051 1035.503       114.4607 931.0010       112.6842 109.8308 6.127234 104.0994 6.369527 5.731392       8.838205 
1 1 1 13  6  4  o 175.7263 4.806921 2640.770       144.2466 2552.270       207.6142 2723.357       200.5598 172.6007 7.043888 178.3298 6.585943 -5.729080      9.643185 
1 1 1 13  6  5  o 278.1558 4.878054 6618.391       231.7056 6555.862       394.4407 6651.336       286.3122 276.3441 8.358524 278.7130 6.015625 -2.368835      10.29819 
1 1 1 13  6  6  o 123.7978 4.077240 1310.498       86.19483 1453.148       134.8360 1211.921       112.0879 130.2459 6.062336 118.9782 5.516828 11.26770       8.196787 
1 1 1 13  6  7  o 267.1526 4.752704 6107.363       216.8214 5894.266       361.6277 6226.961       270.9177 261.9016 8.085774 269.5966 5.884655 -7.694977      10.00045 
1 1 1 13  6  8  o 190.4558 4.349277 3103.406       141.4534 2991.479       233.4751 3168.318       177.8011 186.6438 7.325294 192.3306 5.413573 -5.686844      9.108606 
1 1 1 13  6  9  o 191.0913 4.851478 3126.587       158.3131 3165.251       223.0018 3087.302       224.7859 192.0101 6.801151 189.6093 6.942368 2.400818       9.718649 
1 1 1 13  6  10 o 266.1414 4.687609 6064.937       213.0423 6161.062       357.3672 6011.941       265.3484 267.5685 7.821277 264.7639 5.868888 2.804657       9.778355 
1 1 1 13  6  11 o 136.8989 3.970527 1603.683       92.82180 1716.616       154.8027 1540.286       115.9853 141.3899 6.411480 134.0740 5.065896 7.315887       8.171314 
1 1 1 13  6  12 o 264.0010 15.12775 6169.003       679.1543 6216.244       956.3214 6120.935       964.6716 260.2333 21.71828 257.8879 22.11924 2.345398       30.99910 
1 1 1 13  6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  6  14 o 277.6739 5.187573 6611.551       245.9808 6576.450       424.7027 6629.269       301.7439 275.7455 9.019339 277.7465 6.361916 -2.000977      11.03732 
1 1 1 13  6  15 o 90.75925 4.389155 705.6815       68.02581 495.2358       113.4288 823.8864       85.01018 75.11234 9.023815 97.87746 5.103796 -22.76511      10.36716 
1 1 1 13  6  16 o 152.9151 4.362572 2004.659       113.9186 2013.749       192.7677 1999.781       141.2159 152.6818 7.393418 152.5605 5.420503 0.1213226      9.167578 
1 1 1 13  6  17 o 200.8371 4.538241 3463.221       155.6444 3370.359       268.7787 3510.072       190.9114 196.9801 7.990438 201.9172 5.536772 -4.937057      9.721262 
1 1 1 13  6  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  6  19 o 69.16931 5.593957 415.9346       65.50895 386.1104       121.1015 428.2718       77.88860 64.87172 11.34494 69.95454 6.598067 -5.082817      13.12411 
1 1 1 13  6  20 o 84.21614 4.826928 613.7043       69.12785 637.8153       116.8480 600.7217       85.74232 84.83924 8.166209 82.99236 6.092578 1.846886       10.18855 
1 1 1 13  6  21 f 28.85395 9.809779 70.50770       57.77218 147.3181       104.6187 36.80858       69.29606 40.05574 13.19425 26.11311 10.38254 13.94263       16.78944 
1 1 1 13  6  22 o 82.52332 5.196997 593.5820       72.86297 550.5337       124.2203 616.1616       89.96496 77.60374 9.576792 83.67220 6.343563 -6.068459      11.48720 
1 1 1 13  6  23 o 22.82458 9.370264 20.58543       58.50314 100.2629       120.5537 -3.959247      66.91006 35.94753 13.86924 21.94082 9.548858 14.00671       16.83854 
1 1 1 13  6  24 o 33.08936 10.33992 102.4700       64.84988 346.6836       126.6260 15.64320       75.50308 58.96603 12.93133 24.62039 10.41488 34.34564       16.60389 
1 1 1 13  7  0  o 151.8683 5.444888 1972.581       141.2076 1266.453       464.7483 2044.399       148.2145 117.9258 23.89701 154.6000 5.614090 -36.67417      24.54760 
1 1 1 13  7  1  o 336.8775 6.234190 9712.898       358.6361 9776.828       517.3546 9653.759       497.5981 337.5546 8.975163 335.4756 8.685923 2.079041       12.48995 
1 1 1 13  7  2  o 184.1125 5.015266 2899.134       157.6810 2808.090       225.0784 2986.882       220.9675 181.0303 7.280824 186.7356 6.929460 -5.705261      10.05126 
1 1 1 13  7  3  o 90.26564 5.181655 699.3687       79.53700 655.9257       113.7566 740.9183       111.2499 87.11627 7.726916 92.71299 7.080328 -5.596718      10.48028 
1 1 1 13  7  4  o 77.46015 5.168336 515.7181       67.97209 469.6072       97.02484 560.1608       95.25375 73.56283 7.844653 80.53308 6.995880 -6.970253      10.51099 
1 1 1 13  7  5  o 143.3899 4.036839 1758.193       98.84666 1652.041       160.6528 1822.860       125.3910 138.8031 6.777776 145.9420 5.031344 -7.138962      8.441130 
1 1 1 13  7  6  o 183.4419 4.204906 2878.372       131.7215 2864.280       219.9848 2886.248       164.4634 182.6963 7.051166 183.6013 5.245557 -0.9050293     8.788334 
1 1 1 13  7  7  o 143.5680 4.846844 1764.417       118.8280 1639.782       169.1901 1885.744       166.9290 138.0060 7.204171 148.2606 6.593317 -10.25468      9.765854 
1 1 1 13  7  8  o 131.2941 3.944252 1474.618       88.43247 1608.366       149.5528 1402.711       109.6575 136.9094 6.396750 127.9785 5.017639 8.930824       8.129890 
1 1 1 13  7  9  f 156.6362 3.924497 2099.062       104.9731 2061.456       173.9317 2120.608       131.6542 154.9473 6.573441 157.3502 4.899655 -2.402878      8.198583 
1 1 1 13  7  10 o 132.6781 4.188398 1506.711       94.89626 1524.813       154.7110 1495.793       120.1538 133.0318 6.833325 132.0972 5.326504 0.9346313      8.664063 
1 1 1 13  7  11 o 249.7619 14.43719 5506.525       613.1333 5491.233       860.8146 5522.272       873.5280 245.2192 20.75141 245.7079 21.02117 -0.4886932     29.53829 
1 1 1 13  7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  7  13 o 197.7209 4.410594 3348.150       148.9195 3358.838       255.7317 3342.666       183.1831 197.4474 7.584574 197.4029 5.434128 0.4446411E-01  9.330355 
1 1 1 13  7  14 o 74.29022 5.800470 476.7466       73.00285 503.7548       101.3386 447.6100       105.2560 76.00959 7.923858 71.41721 8.817858 4.592377       11.85505 
1 1 1 13  7  15 o 119.9402 4.377509 1233.053       89.65899 1279.223       152.4687 1208.648       110.8508 121.5171 7.382500 118.6186 5.472482 2.898575       9.189634 
1 1 1 13  7  16 o 147.4421 4.265635 1864.720       107.4007 1816.303       185.6297 1889.083       131.6784 144.6230 7.542500 148.2365 5.201845 -3.613495      9.162341 
1 1 1 13  7  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  7  18 o 132.7724 4.333562 1515.215       98.25506 1656.932       167.9580 1441.484       121.1478 137.8805 7.158013 129.2433 5.489154 8.637192       9.020419 
1 1 1 13  7  19 o 182.7984 4.451322 2876.760       138.9515 2744.835       235.5687 2947.153       172.0743 177.0614 7.790975 184.6396 5.457442 -7.578217      9.512253 
1 1 1 13  7  20 o 123.8364 4.513364 1322.390       95.44447 1430.098       155.9321 1257.860       120.6953 127.6363 7.183382 120.3681 5.871881 7.268196       9.277928 
1 1 1 13  7  21 o 111.7564 4.730751 1080.544       90.28268 979.1964       148.8174 1139.568       113.5695 104.6290 8.399945 114.2368 5.841288 -9.607803      10.23131 
1 1 1 13  7  22 o 20.75267 8.768457 7.538089       53.41748 0.7877331      100.1543 10.22172       63.14917 26.89036 11.69274 22.57314 9.535505 4.317215       15.08795 
1 1 1 13  7  23 o 39.22366 9.595201 145.7327       63.74038 26.71787       137.3432 178.4034       71.95919 32.07234 13.81889 43.33509 9.935983 -11.26274      17.02015 
1 1 1 13  8  0  o 106.5162 4.763789 970.3086       86.65034 897.8299       123.0612 1041.577       122.0295 102.1154 7.101309 110.0893 6.520138 -7.973930      9.640580 
1 1 1 13  8  1  o 46.94138 6.389276 192.1882       49.88578 192.5658       69.46361 191.7861       71.68723 46.55614 9.063368 46.41583 9.367215 0.1403122      13.03416 
1 1 1 13  8  2  o 406.9923 7.612816 14212.35       529.0947 14508.79       763.9260 13939.05       733.5066 410.1643 10.90665 402.1118 10.68207 8.052429       15.26636 
1 1 1 13  8  3  o 166.4015 4.400622 2368.439       125.0470 2445.393       178.5186 2294.308       175.2141 168.9359 6.188132 163.6262 6.270673 5.309662       8.809899 
1 1 1 13  8  4  o 77.81602 5.115484 520.6016       67.59753 500.8765       93.56397 542.1396       97.76932 76.04494 7.294551 79.13943 7.317323 -3.094498      10.33217 
1 1 1 13  8  5  o 116.2165 4.718768 1155.959       93.64798 1126.665       135.2774 1182.916       129.7706 114.3664 6.959782 117.2600 6.506277 -2.893600      9.527339 
1 1 1 13  8  6  o 200.5355 5.019317 3443.594       171.8849 3419.848       248.3354 3465.432       238.1485 199.5234 7.288579 200.9055 6.941512 -1.382095      10.06519 
1 1 1 13  8  7  o 43.54028 7.033998 166.9390       50.51625 217.9255       73.41316 121.0861       69.61926 49.52099 9.013315 36.94405 10.52567 12.57694       13.85748 
1 1 1 13  8  8  o 126.8148 4.070416 1376.187       88.14762 1367.254       145.5876 1381.357       110.7556 125.9732 6.792863 126.9717 5.108069 -0.9985428     8.499139 
1 1 1 13  8  9  o 93.61573 4.314416 750.2700       68.97199 547.9450       111.5758 875.3979       87.74501 79.28825 8.366963 100.9400 5.107072 -21.65180      9.802462 
1 1 1 13  8  10 o 136.7697 14.63094 1665.146       336.4145 1538.881       572.1362 1731.870       415.9103 125.3858 27.47938 138.0852 18.07173 -12.69934      32.88927 
1 1 1 13  8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  8  12 o 145.1211 4.174622 1803.141       103.4546 1854.644       175.4147 1775.672       128.1060 146.8142 6.996746 143.9008 5.213199 2.913391       8.725359 
1 1 1 13  8  13 o 149.9027 4.252180 1924.511       108.8486 1682.412       181.0169 2061.630       136.2293 139.4829 7.628603 155.0410 5.145436 -15.55804      9.201689 
1 1 1 13  8  14 o 49.72093 7.208499 217.5504       59.42009 260.8020       98.89288 193.1131       74.33463 53.66472 11.15528 46.29169 9.713216 7.373028       14.79144 
1 1 1 13  8  15 f 45.09132 9.974359 184.4686       74.76714 195.7777       96.60760 167.5782       118.0641 46.22226 12.09829 43.57926 13.99287 2.643002       18.49781 
1 1 1 13  8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  8  17 o 105.6546 4.474949 959.6575       80.73811 860.6462       137.8571 1011.349       99.60867 98.93855 8.234251 108.2975 5.386127 -9.358994      9.839373 
1 1 1 13  8  18 o 126.5654 4.307706 1377.957       93.10287 1328.121       159.4574 1403.734       114.6806 123.0666 7.625119 127.5099 5.266766 -4.443306      9.267215 
1 1 1 13  8  19 o 17.54431 8.025871 -34.09579      53.93591 103.7551       101.0460 -89.02082      63.78221 35.73613 12.91004 16.36862 7.860026 19.36751       15.11453 
1 1 1 13  8  20 o 127.6661 4.551664 1407.737       99.23108 1455.765       179.6663 1386.656       119.0334 127.9175 8.269236 126.3682 5.516065 1.549316       9.940183 
1 1 1 13  8  21 o 76.92468 5.757235 518.8861       75.07940 498.4132       144.8000 526.4141       87.80446 72.27025 12.16504 77.11555 6.735231 -4.845306      13.90509 
1 1 1 13  8  22 o 34.59858 9.515172 112.4804       57.97192 13.23012       130.0817 137.0779       64.75837 30.75439 13.34924 38.04236 9.880150 -7.287964      16.60782 
1 1 1 13  8  23 o 59.50155 6.558281 316.4178       65.53084 561.9910       139.7406 247.1897       74.19480 76.85188 10.95831 51.61716 8.728591 25.23472       14.00974 
1 1 1 13  9  0  o 176.5417 4.649925 2666.463       140.1830 2736.373       201.2378 2600.558       195.3889 178.6605 6.595976 174.1731 6.569267 4.487366       9.309252 
1 1 1 13  9  1  o 246.0134 4.700916 5178.831       197.4891 5240.932       291.5945 5126.207       268.4253 247.1736 6.908368 244.5299 6.428204 2.643677       9.436491 
1 1 1 13  9  2  o 263.5294 5.474877 5948.127       246.3799 5889.131       354.5948 6003.193       342.5832 261.7730 7.932418 264.3687 7.588466 -2.595734      10.97762 
1 1 1 13  9  3  o 263.8227 5.985601 5966.155       269.6633 5573.077       388.2596 6332.489       374.8183 254.3738 8.938156 271.3645 8.088462 -16.99066      12.05462 
1 1 1 13  9  4  o 110.5389 4.799001 1046.056       90.58743 923.6089       127.4383 1171.119       128.7923 103.4420 7.260417 116.6539 6.490995 -13.21192      9.738926 
1 1 1 13  9  5  o 201.8116 5.062257 3488.595       174.4585 3433.061       252.0219 3539.692       241.7422 199.8398 7.385066 202.9939 6.973769 -3.154083      10.15739 
1 1 1 13  9  6  o 113.9216 4.548944 1111.131       88.49496 1123.905       127.5434 1099.272       122.8879 114.2210 6.566616 112.9846 6.395489 1.236427       9.166391 
1 1 1 13  9  7  o 168.8467 4.181483 2440.138       120.5660 2394.271       198.7848 2466.829       151.6416 166.8909 6.975068 169.6507 5.234326 -2.759735      8.720651 
1 1 1 13  9  8  o 128.5289 4.129321 1414.044       90.63196 1411.323       145.7575 1415.759       115.7235 127.9732 6.693014 128.5054 5.273495 -0.5321808     8.520926 
1 1 1 13  9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9  11 o 160.7977 4.203170 2213.980       115.4140 1986.782       195.0445 2336.396       143.1696 151.8469 7.521869 165.0748 5.078882 -13.22791      9.075988 
1 1 1 13  9  12 f 228.6768 4.738202 4482.252       185.0280 4358.220       315.3179 4547.390       228.5050 224.6207 8.220477 230.1076 5.815175 -5.486954      10.06938 
1 1 1 13  9  13 o 75.62546 5.356578 493.5612       68.72873 375.4204       114.5163 560.0728       85.92426 64.76311 10.73038 80.42840 6.306657 -15.66529      12.44649 
1 1 1 13  9  14 o 62.36518 5.928933 337.8815       62.38270 402.8083       105.5591 303.0359       77.33164 67.34612 9.437889 58.61941 7.928730 8.726704       12.32633 
1 1 1 13  9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9  16 o 163.0776 5.490617 2293.982       152.9035 2485.727       210.9552 2081.749       221.9391 169.0967 7.305552 154.0616 8.468524 15.03511       11.18423 
1 1 1 13  9  17 o 128.6935 5.460865 1430.928       120.0107 1518.809       163.1320 1327.262       177.1782 131.8001 7.276240 122.6502 8.512101 9.149857       11.19819 
1 1 1 13  9  18 o 37.30595 8.402835 127.2249       52.24487 69.86209       90.83102 155.5858       63.86736 31.73805 12.08949 41.11769 9.312151 -9.379648      15.26014 
1 1 1 13  9  19 o 39.40408 8.432490 142.4806       55.02707 59.85339       106.0660 172.9102       64.36700 32.07017 12.81491 43.33553 8.992540 -11.26535      15.65528 
1 1 1 13  9  20 o 24.41603 9.480852 37.21785       56.61568 -60.37685      103.1881 79.25020       67.71867 23.89188 10.99255 30.50568 10.61103 -6.613802      15.27842 
1 1 1 13  9  21 o 51.89119 7.361238 242.7852       63.40122 239.1921       113.4043 244.4189       76.46819 49.09648 13.22836 51.41329 9.039689 -2.316811      16.02204 
1 1 1 13  9  22 o 103.0233 4.930853 924.2545       86.74799 574.4458       167.5791 1052.304       101.3897 75.94981 13.41123 109.7099 5.411850 -33.76012      14.46199 
1 1 1 13  10 0  o 151.1830 4.337365 1955.685       111.9775 1835.432       168.9332 2049.928       149.5523 146.2395 6.764698 154.6675 5.662291 -8.428009      8.821715 
1 1 1 13  10 1  o 133.6220 4.125324 1527.530       94.13212 1407.117       135.6468 1639.380       130.7349 128.0874 6.201564 138.3179 5.534917 -10.23059      8.312323 
1 1 1 13  10 2  o 411.5013 7.317873 14552.82       514.2307 14920.05       758.5129 14240.49       699.5271 415.1281 10.69988 405.8730 10.09282 9.255188       14.70892 
1 1 1 13  10 3  o 191.6013 4.510576 3142.775       147.5817 3342.538       218.1013 2974.054       200.4395 197.3221 6.472628 186.1537 6.305356 11.16830       9.036173 
1 1 1 13  10 4  o 71.65802 5.088176 442.1548       61.85807 350.7960       87.95864 531.5538       87.01010 63.26990 8.344636 78.40534 6.558881 -15.13544      10.61376 
1 1 1 13  10 5  o 118.2789 4.694044 1198.236       94.81051 1182.826       133.6618 1213.841       134.5067 117.1374 6.709983 118.6754 6.664116 -1.537971      9.456972 
1 1 1 13  10 6  o 173.5802 4.882918 2581.700       144.7377 2654.264       208.7153 2514.477       200.8889 175.6841 6.956964 171.0089 6.879159 4.675232       9.783772 
1 1 1 13  10 7  o 92.76068 4.911009 739.4679       77.51524 794.3246       110.9268 687.1163       108.3643 95.87080 6.820088 89.06969 7.185655 6.801117       9.906928 
1 1 1 13  10 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  10 10 o 182.2325 4.361603 2844.609       135.7294 2510.525       227.3845 3029.538       169.1745 170.5942 7.805391 187.9236 5.271714 -17.32933      9.418870 
1 1 1 13  10 11 o 101.6542 4.614962 885.6859       80.11160 883.4799       125.7469 887.1928       103.9340 100.9747 7.342887 101.4289 6.027700 -0.4542618     9.500061 
1 1 1 13  10 12 o 111.2179 4.533911 1060.696       86.10919 879.3547       143.4146 1162.924       107.6791 100.3962 8.443563 116.3470 5.419687 -15.95081      10.03328 
1 1 1 13  10 13 o 44.21822 8.003570 174.6499       58.20988 231.3900       96.16255 141.8350       73.13018 50.27829 11.45566 39.51641 10.61259 10.76188       15.61599 
1 1 1 13  10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  10 15 o 65.76620 5.671290 376.0659       63.06945 489.2063       107.8987 317.3468       77.73148 74.27296 8.670321 59.87213 7.787058 14.40083       11.65387 
1 1 1 13  10 16 o 98.84414 4.583377 841.2442       77.36391 769.7047       131.7943 878.8545       95.56017 93.30344 8.360406 100.6783 5.580089 -7.374832      10.05156 
1 1 1 13  10 17 o 39.59693 10.83404 145.6856       75.38217 108.3433       99.34569 196.3644       115.7341 36.09816 12.82790 45.57307 13.73496 -9.474918      18.79372 
1 1 1 13  10 18 f 27.09788 11.12466 29.80715       82.46158 -32.47723      123.3568 80.12536       110.8757 28.03517 12.54372 34.14446 13.26515 -6.109289      18.25676 
1 1 1 13  10 19 o 19.57762 8.515520 -4.922281      53.15213 115.6876       101.1150 -50.97395      62.48085 36.40066 12.94096 18.00660 8.378131 18.39406       15.41628 
1 1 1 13  10 20 o 78.87965 5.635625 545.6317       75.41192 379.3094       130.0627 629.8634       92.55833 62.40488 12.63817 84.43459 6.468577 -22.02971      14.19739 
1 1 1 13  10 21 o 17.65975 8.094184 -33.18306      55.22139 -62.53378      102.5921 -21.21072      65.52306 23.47137 10.85651 20.33904 9.118155 3.132324       14.17761 
1 1 1 13  11 0  o 182.8025 4.810914 2862.191       150.1799 2955.070       216.5166 2776.075       208.4839 185.4490 6.836987 179.7522 6.791981 5.696823       9.637189 
1 1 1 13  11 1  o 67.53172 5.494217 393.5796       62.81074 433.3231       85.90255 347.9205       92.07381 70.62350 7.224575 62.90473 8.813314 7.718773       11.39601 
1 1 1 13  11 2  o 165.5213 4.428427 2345.872       125.1714 2251.777       196.3482 2410.294       162.4648 161.8093 7.105941 167.6270 5.675619 -5.817764      9.094342 
1 1 1 13  11 3  f 108.1269 4.292053 1000.973       79.25027 991.8644       121.1501 1007.785       104.7777 107.2279 6.649072 108.2356 5.688833 -1.007652      8.750599 
1 1 1 13  11 4  o 85.95470 4.708814 634.8552       68.85376 629.3254       101.3033 639.6030       93.86894 85.24759 7.021333 86.04116 6.435317 -0.7935715     9.524306 
1 1 1 13  11 5  o 379.6016 7.053709 12400.75       457.2434 12473.50       673.4681 12338.55       622.7817 378.9684 10.40668 377.3520 9.664677 1.616364       14.20229 
1 1 1 13  11 6  o 43.33394 19.28407 -75.85860      287.3399 -72.96339      375.8005 -79.93351      445.8365 49.87959 22.13206 54.09418 24.04922 -4.214592      32.68322 
1 1 1 13  11 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  11 8  o 144.2893 4.532137 1783.761       111.6707 1847.612       181.2048 1744.662       141.7975 146.4577 7.245282 142.5394 5.825479 3.918335       9.296790 
1 1 1 13  11 9  o 232.0896 4.739501 4617.519       187.8409 4464.218       318.4856 4699.291       232.6049 227.3063 8.204959 233.8994 5.823550 -6.593094      10.06157 
1 1 1 13  11 10 f 80.25013 5.687308 556.0602       77.43410 504.9061       117.1045 595.8042       103.2214 75.73776 9.246371 82.77879 7.379501 -7.041023      11.83015 
1 1 1 13  11 11 o 169.0713 4.452772 2451.680       128.5589 2670.597       217.6203 2334.328       159.3333 175.8090 7.248637 164.7472 5.663520 11.06180       9.198814 
1 1 1 13  11 12 f 130.6378 4.486670 1465.195       100.0910 1536.727       165.7789 1424.162       125.5587 132.9897 7.328051 128.5758 5.718549 4.413956       9.295275 
1 1 1 13  11 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  11 14 o 178.2616 4.461318 2732.571       135.8073 2511.889       229.9990 2850.698       168.2739 169.6159 7.940676 181.7677 5.421236 -12.15176      9.614787 
1 1 1 13  11 15 o 26.83406 9.223912 58.85232       51.09783 -25.13095      87.93084 101.6732       62.78746 24.01954 10.67938 33.57879 10.11578 -9.559254      14.70980 
1 1 1 13  11 16 f 67.04430 5.545023 391.8422       62.91460 343.7818       119.8659 410.1172       73.91463 60.54830 12.01694 68.37066 6.405467 -7.822357      13.61752 
1 1 1 13  11 17 o 105.8809 4.671593 968.6108       84.46653 718.3428       166.9040 1054.777       97.93364 88.10661 11.35763 110.3357 5.197731 -22.22910      12.49049 
1 1 1 13  11 18 o 38.15162 8.506947 134.7084       54.01035 110.1401       108.7087 142.7606       62.23503 36.25900 13.34578 39.05287 9.437185 -2.793869      16.34535 
1 1 1 13  11 19 o 19.51491 9.107800 -61.45647      74.74447 -150.9657      100.0102 51.80057       112.4975 19.67264 9.542990 31.61212 12.98763 -11.93948      16.11668 
1 1 1 13  11 20 o 35.49129 12.19737 116.0940       89.34994 98.12929       132.2444 131.1827       121.1969 36.16292 14.35409 38.18721 14.08594 -2.024292      20.11103 
1 1 1 13  12 0  o 136.1764 4.199584 1587.733       97.65848 1553.441       152.9787 1611.321       126.8751 134.4159 6.664662 137.0580 5.420881 -2.642105      8.590906 
1 1 1 13  12 1  o 52.55620 6.434673 240.8775       56.54377 177.7090       76.55761 316.6927       83.87193 44.38025 10.30028 59.99883 8.417638 -15.61858      13.30234 
1 1 1 13  12 2  o 65.08652 5.662091 366.3085       62.30477 368.2758       85.29076 364.0574       91.23365 64.88922 7.857247 64.37959 8.506960 0.5096359      11.58036 
1 1 1 13  12 3  o 111.2719 11.24529 1089.657       210.7447 1393.410       487.9072 1019.988       233.6664 120.1125 24.61457 107.0672 13.05022 13.04530       27.86010 
1 1 1 13  12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  12 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  12 6  o 87.09586 5.348742 653.3062       79.16705 651.0999       109.9402 655.6823       114.0935 86.58811 7.509630 86.84273 7.775846 -0.2546158     10.81010 
1 1 1 13  12 7  o 166.7550 5.220219 2385.970       148.6515 2405.497       206.8107 2365.098       213.8143 167.0559 7.249518 165.5785 7.561897 1.477386       10.47558 
1 1 1 13  12 8  o 262.7052 6.090502 5934.636       273.2271 5382.403       381.5736 6515.729       391.4172 249.1561 8.968190 274.4122 8.352847 -25.25609      12.25555 
1 1 1 13  12 9  o 257.9422 5.183695 5714.417       228.3304 5668.190       384.6067 5739.577       283.7437 255.4829 8.815625 258.0992 6.437803 -2.616318      10.91607 
1 1 1 13  12 10 o 223.9347 4.856456 4307.625       185.7132 4390.421       313.4788 4262.853       230.5209 224.8436 8.164425 222.3918 6.070014 2.451843       10.17364 
1 1 1 13  12 11 o 98.25271 5.165204 833.1467       86.35888 867.1295       132.5137 808.0588       113.8580 99.55704 7.858366 96.33701 6.968008 3.220032       10.50272 
1 1 1 13  12 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  12 13 o 93.94312 4.994959 762.8105       79.84277 658.0689       126.7672 831.6821       102.7939 86.13834 8.739025 97.79364 6.187273 -11.65530      10.70761 
1 1 1 13  12 14 o 65.28033 5.986289 372.4659       65.98987 349.9353       112.2920 384.3514       81.55902 61.59477 11.08341 65.93999 7.369059 -4.345226      13.30959 
1 1 1 13  12 15 o 59.68455 6.443765 313.6761       64.63352 312.1742       115.3436 314.3635       78.03610 57.51344 12.12613 59.30908 7.901590 -1.795639      14.47336 
1 1 1 13  12 16 o 40.79566 8.636622 153.2024       58.29266 141.7169       129.0435 156.1470       65.33913 40.30985 14.58520 40.95702 9.522493 -0.6471634     17.41855 
1 1 1 13  12 17 o 124.0541 4.407794 1330.906       93.37578 1298.134       168.2704 1345.487       112.2430 120.3851 8.234710 124.3868 5.284249 -4.001648      9.784362 
1 1 1 13  12 18 o 15.47995 7.246353 -44.13667      47.90186 -37.31488      101.3306 -46.09986      54.35931 24.70279 11.18291 16.69058 7.782104 8.012207       13.62419 
1 1 1 13  12 19 o 30.10619 9.508529 83.19109       54.68953 452.3371       132.0426 6.753036       60.08553 68.40418 11.72593 21.64844 9.229280 46.75574       14.92236 
1 1 1 13  13 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  13 3  o 241.0923 5.863391 4993.076       241.3982 4855.851       340.4157 5131.881       342.3699 237.0006 8.411203 243.7090 8.226634 -6.708313      11.76545 
1 1 1 13  13 4  o 132.7812 4.976632 1512.244       112.8428 1470.342       157.8897 1555.995       161.3337 130.4312 7.115649 134.1983 7.064939 -3.767166      10.02725 
1 1 1 13  13 5  o 144.0301 5.094374 1779.920       125.2985 1693.672       172.4380 1876.396       182.3772 139.9685 7.239176 147.5159 7.239854 -7.547409      10.23822 
1 1 1 13  13 6  o 43.30170 7.788425 166.8405       55.47376 309.0011       80.72243 39.62176       76.36249 59.21745 8.202859 27.77601 10.94469 31.44143       13.67747 
1 1 1 13  13 7  o 150.2001 4.649478 1935.678       119.2550 1791.488       179.0790 2050.576       159.8571 143.8024 7.316656 154.3300 6.065681 -10.52769      9.503996 
1 1 1 13  13 8  o 95.20410 5.612494 782.8624       90.84233 881.2604       129.2191 686.7120       127.7347 100.5744 7.579507 88.45428 8.563664 12.12014       11.43614 
1 1 1 13  13 9  o 56.55375 8.270537 284.1702       77.51176 307.0954       100.9543 251.2481       120.9796 58.19008 10.54795 51.88432 13.51849 6.305756       17.14668 
1 1 1 13  13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  13 11 o 121.0424 4.823112 1261.765       99.69347 1369.558       155.7511 1186.949       129.7574 125.2114 7.316092 116.8098 6.531213 8.401558       9.807240 
1 1 1 13  13 12 o 88.35397 5.308839 676.7573       79.72745 564.4409       126.5177 750.7383       102.6809 79.30581 9.533099 92.72642 6.526233 -13.42061      11.55299 
1 1 1 13  13 13 o 53.05515 7.726023 251.7398       67.94268 323.5506       112.0733 210.0122       85.43176 58.87420 11.56003 47.45382 10.78699 11.42039       15.81118 
1 1 1 13  13 14 o 86.08812 5.311220 644.4703       77.69861 874.8507       132.7015 524.2879       95.84586 99.33405 7.887964 76.94550 7.385099 22.38855       10.80554 
1 1 1 13  13 15 o 98.09935 4.877926 833.5853       81.71528 738.8218       142.5442 879.9713       99.72920 90.22470 9.389251 100.3206 5.846782 -10.09590      11.06087 
1 1 1 13  13 16 o 24.24841 9.411213 37.19811       55.76619 104.3212       103.7599 9.933609       66.12907 35.29015 13.03012 22.97318 9.734103 12.31697       16.26459 
1 1 1 13  13 17 o 25.51251 8.791582 54.85765       46.43418 21.87790       106.2081 62.65122       51.63000 28.81368 12.27691 27.05227 9.273284 1.761412       15.38559 
1 1 1 13  13 18 o 49.54811 7.275079 222.9441       59.72237 136.5189       138.2742 242.7640       66.21726 39.12360 14.91308 51.53954 7.764618 -12.41594      16.81337 
1 1 1 13  14 0  o 150.3163 4.626093 1937.170       118.7470 1918.451       186.9298 1949.834       153.7561 149.1252 7.340497 150.6002 5.978675 -1.474945      9.467177 
1 1 1 13  14 1  f 81.24071 5.816913 570.0970       80.16497 359.9795       122.1833 728.9128       106.2252 63.14043 11.76475 91.73243 6.830073 -28.59200      13.60365 
1 1 1 13  14 2  o 229.2947 4.983301 4511.176       195.1250 4530.792       322.0847 4499.803       245.2544 228.8230 8.242682 228.6765 6.280487 0.1464233      10.36274 
1 1 1 13  14 3  o 98.92881 4.724580 839.5288       79.81563 824.3046       121.0862 851.2261       106.1379 97.44450 7.330419 99.24300 6.295396 -1.798492      9.662663 
1 1 1 13  14 4  o 208.0994 4.828085 3717.146       171.5725 3784.337       281.2959 3677.342       216.5088 209.0569 7.879467 206.6475 6.135408 2.409470       9.986452 
1 1 1 13  14 5  o 165.1736 5.120802 2344.703       144.4377 2307.639       203.7160 2382.170       204.8201 163.3142 7.304649 165.9535 7.227436 -2.639267      10.27588 
1 1 1 13  14 6  o 53.85902 8.447978 258.3265       75.14256 201.3936       97.08678 343.3831       118.6677 46.75017 12.07598 61.30870 11.76250 -14.55853      16.85781 
1 1 1 13  14 7  o 15.33480 7.415945 -94.02419      59.23026 -26.89832      78.50346 -182.7363      90.24754 22.57630 10.06072 17.53272 8.622586 5.043571       13.25017 
1 1 1 13  14 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  14 9  o 81.19832 6.375264 574.9349       87.68832 420.3156       138.0881 679.4166       113.5127 67.30283 12.47428 87.93054 7.635468 -20.62772      14.62560 
1 1 1 13  14 10 o 115.8426 4.661368 1156.276       92.21118 1086.890       156.9420 1192.858       113.9552 110.9249 8.346478 117.4021 5.684028 -6.477272      10.09811 
1 1 1 13  14 11 o 30.63543 10.10506 81.28367       61.35683 -1.178735      102.3977 127.4762       76.63872 27.44200 11.87761 37.25034 11.16570 -9.808336      16.30186 
1 1 1 13  14 12 o 68.46308 6.132175 410.9481       70.93280 435.6222       139.4296 402.3322       82.39159 67.93233 12.47909 67.38019 7.276085 0.5521393      14.44539 
1 1 1 13  14 13 o 48.86968 8.440020 217.6462       67.88786 253.0521       111.1098 196.5548       85.75678 51.12294 12.76585 45.51672 11.12657 5.606224       16.93422 
1 1 1 13  14 14 f 113.6203 4.732975 1118.762       91.83160 803.3597       155.5657 1287.450       113.7687 93.57514 9.884965 121.5807 5.479691 -28.00558      11.30219 
1 1 1 13  14 15 o 51.55600 8.125904 242.7970       69.17171 223.5363       114.3518 253.9115       86.86649 47.28834 13.49573 51.86195 10.17192 -4.573605      16.89978 
1 1 1 13  14 16 o 98.21593 4.725266 838.2016       79.25198 809.8245       144.4996 850.4100       94.77884 93.99055 9.117541 98.40626 5.664010 -4.415703      10.73362 
1 1 1 13  14 17 o 67.25587 5.947786 401.1874       67.60625 266.3524       145.5146 438.3038       76.34638 49.88692 15.47237 70.09508 6.450595 -20.20815      16.76318 
1 1 1 13  15 0  o 149.3066 4.574717 1913.036       116.6394 1775.683       190.9337 1994.813       147.3249 142.9421 7.852140 152.2598 5.666162 -9.317673      9.683052 
1 1 1 13  15 1  o 145.7251 4.593302 1822.892       114.3040 1723.826       186.9525 1882.033       144.4478 140.7974 7.806177 147.8531 5.721087 -7.055710      9.678184 
1 1 1 13  15 2  o 81.23566 6.000286 572.0087       82.64870 508.9658       123.8975 622.5538       110.9390 75.63567 9.824563 84.35194 7.789703 -8.716278      12.53800 
1 1 1 13  15 3  o 15.01557 7.229753 -81.87879      54.81478 -101.3148      73.80313 -57.96694      81.86119 17.75315 8.506286 21.27666 9.789890 -3.523504      12.96915 
1 1 1 13  15 4  o 62.94185 7.132426 348.0078       75.30846 416.5365       100.5543 260.4697       113.6483 68.47079 8.803837 52.85830 12.74019 15.61250       15.48612 
1 1 1 13  15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  15 7  o 68.00135 8.649089 412.5382       98.16339 436.1676       131.5165 382.8152       147.5027 68.84449 11.59921 63.44318 13.99090 5.401314       18.17380 
1 1 1 13  15 8  o 55.16258 8.863081 274.8069       80.66228 303.7581       109.8276 240.9015       118.8537 57.05207 11.66652 50.22784 13.54637 6.824234       17.87769 
1 1 1 13  15 9  o 43.84428 9.542428 177.3539       69.41650 167.5357       105.4743 184.8561       92.19901 42.35290 13.17886 44.25907 11.92875 -1.906170      17.77576 
1 1 1 13  15 10 o 29.51144 10.82543 66.60012       71.44012 149.2700       101.3822 -14.93607      100.6846 40.19453 12.97305 26.24696 11.56005 13.94758       17.37627 
1 1 1 13  15 11 o 58.51332 7.531497 306.4338       73.50845 291.8417       134.2993 312.6754       87.83368 54.31081 14.28815 58.53220 9.081763 -4.221397      16.93014 
1 1 1 13  15 12 o 78.69907 5.253141 540.7182       70.19209 493.7495       126.4167 561.6523       84.39718 72.88167 10.45705 79.86044 6.238145 -6.978767      12.17638 
1 1 1 13  15 13 o 99.51946 4.628638 858.9100       78.66167 784.0178       143.2982 891.2106       94.10823 92.64092 9.178881 100.9222 5.481137 -8.281311      10.69087 
1 1 1 13  15 14 o 51.99289 7.736895 245.9737       66.59975 252.9227       136.0601 243.7841       76.37497 49.51101 14.88568 51.19806 9.067543 -1.687042      17.42997 
1 1 1 13  15 15 o 96.16185 4.664598 804.3517       76.59826 845.6532       143.5729 787.9182       90.56407 96.00226 8.857570 94.62481 5.630080 1.377449       10.49544 
1 1 1 13  15 16 o 56.48998 9.547485 301.5299       88.81831 208.2509       120.2373 413.5601       131.7694 44.79562 14.09264 64.39998 12.43219 -19.60435      18.79260 
1 1 1 13  16 0  o 31.95524 13.55281 18.17701       128.3859 0.000000       0.000000 18.17701       128.3859 ?        ?        31.95524 13.55281 0.000000       13.55281 
1 1 1 13  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  16 3  o 24.97369 11.74720 -121.9357      128.5053 0.000000       0.000000 -121.9357      128.5053 ?        ?        24.97369 11.74720 0.000000       11.74720 
1 1 1 13  16 4  o 49.90464 8.418396 224.4103       69.18896 117.1213       102.7300 313.4796       93.60175 37.26948 13.06332 58.77052 9.662476 -21.50103      16.24850 
1 1 1 13  16 5  o 77.23727 5.891347 520.2112       77.11794 427.6186       118.0014 589.2415       101.8869 68.44454 10.42526 81.76512 7.376497 -13.32058      12.77101 
1 1 1 13  16 6  o 98.55472 5.096848 841.8718       85.48556 798.6650       135.8769 870.1778       109.9787 94.74384 8.488314 99.74548 6.492106 -5.001648      10.68639 
1 1 1 13  16 7  o 32.56343 10.29600 95.16945       64.10947 -43.12065      99.27537 194.0935       83.96473 24.43706 11.06520 45.43836 10.95007 -21.00130      15.56735 
1 1 1 13  16 8  o 101.7567 6.298391 906.7789       108.9067 901.0707       157.8023 911.9705       150.4922 99.95615 9.353645 100.8539 8.827020 -0.8977737     12.86106 
1 1 1 13  16 9  o 55.28186 9.791160 283.0906       89.04809 168.5094       131.3104 380.6523       121.1664 42.50935 14.77646 63.40425 11.61900 -20.89490      18.79748 
1 1 1 13  16 10 o 66.33843 6.818793 391.3701       76.14628 328.2530       118.0428 436.3524       99.65217 58.20685 12.26287 69.30310 8.605616 -11.09625      14.98114 
1 1 1 13  16 11 o 48.47824 8.637597 217.1466       68.88428 320.9381       111.6777 153.4086       87.51550 57.58723 11.75413 39.82526 11.93045 17.76197       16.74800 
1 1 1 13  16 12 o 60.81484 6.543605 329.8116       66.88663 291.3045       117.3530 348.3399       81.40310 54.03699 12.89669 61.95169 7.872354 -7.914696      15.10955 
1 1 1 13  16 13 o 46.38914 8.062046 198.6709       61.54713 202.3639       112.3431 197.0871       73.57020 44.60720 13.55212 45.47333 9.765732 -0.8661270     16.70417 
1 1 1 13  16 14 o 33.99369 9.776782 110.6697       59.79235 69.07106       110.6019 127.8476       71.07355 32.09422 12.99331 36.27757 10.72486 -4.183350      16.84781 
1 1 1 13  17 0  o 144.8936 4.438927 1808.911       109.8320 1673.003       177.0373 1893.950       140.0393 137.9823 7.542013 147.8857 5.545261 -9.903366      9.361190 
1 1 1 13  17 1  o 90.19647 5.305719 706.3737       81.36147 604.1510       116.7311 802.9536       113.4634 82.33882 8.420421 95.61591 6.997631 -13.27708      10.94853 
1 1 1 13  17 2  o 98.80371 8.849792 872.2314       147.7347 0.000000       0.000000 872.2314       147.7347 ?        ?        98.80371 8.849792 0.000000       8.849792 
1 1 1 13  17 3  o 80.72034 5.880970 569.2538       80.50751 553.6814       136.4250 577.5745       99.72274 77.70808 10.55382 80.82143 7.304400 -3.113350      12.83500 
1 1 1 13  17 4  o 89.76052 5.750587 703.0817       87.68179 658.0428       142.9886 730.2233       111.0007 84.98178 10.04756 90.93391 7.207252 -5.952133      12.36519 
1 1 1 13  17 5  o 28.24824 10.22823 62.65537       63.47813 -25.60490      94.87302 134.1928       85.41356 24.73457 11.03850 37.98120 11.86627 -13.24664      16.20670 
1 1 1 13  17 6  o 85.81062 5.563446 643.4248       81.08486 566.6780       126.2660 697.2861       105.7779 78.75414 9.586596 88.74998 7.037206 -9.995834      11.89223 
1 1 1 13  17 7  o 27.90889 10.09943 62.22612       61.87630 109.1913       97.23125 30.26048       80.21576 35.43380 12.68010 26.62334 10.95590 8.810459       16.75758 
1 1 1 13  17 8  o 76.35367 5.911639 513.5092       76.47891 524.6659       122.3715 506.3584       97.96872 75.28426 9.747482 75.00074 7.761583 0.2835159      12.46016 
1 1 1 13  17 9  o 41.80322 10.99709 169.2950       79.55935 49.42186       107.4821 314.5757       118.3257 30.76324 12.67337 56.36650 12.60856 -25.60327      17.87708 
1 1 1 13  17 10 o 52.89261 9.602827 263.1685       83.54080 167.9077       113.2412 376.9218       123.7455 41.26352 13.73373 62.03188 12.11646 -20.76836      18.31458 
1 1 1 13  17 11 o 96.55348 5.105803 816.7064       83.88561 931.1732       143.6003 757.4113       103.3534 100.9984 8.402312 92.18632 6.609191 8.812050       10.69019 
1 1 1 13  17 12 o 23.46018 9.585828 26.45330       60.86555 90.26310       98.93775 -12.40078      77.20345 32.97623 12.60403 22.57307 10.02290 10.40316       16.10342 
1 1 1 13  18 0  o 39.87437 9.642675 148.6983       64.93895 225.1402       97.36473 87.44595       87.15604 48.43696 11.86506 32.82658 11.96980 15.61037       16.85395 
1 1 1 13  18 1  o 63.52530 6.949807 358.7861       74.16156 425.5585       122.8844 320.5341       93.00913 67.37710 11.06446 58.97838 9.562296 8.398716       14.62394 
1 1 1 13  18 2  o 30.22703 9.921488 81.23115       59.17461 101.0636       92.90734 67.69427       76.75749 34.44337 12.38760 29.85932 11.17084 4.584044       16.68054 
1 1 1 13  18 3  o 85.25880 5.406451 635.6713       78.30695 635.7903       140.1333 635.6173       94.42531 82.91326 10.10639 84.78120 6.573483 -1.867935      12.05611 
1 1 1 13  18 4  o 39.67955 12.04734 151.9253       88.80059 0.000000       0.000000 151.9253       88.80059 ?        ?        39.67955 12.04734 0.000000       12.04734 
1 1 1 13  18 5  o 48.22085 8.003849 213.1531       63.59663 331.1176       106.4548 147.6887       79.30350 58.82183 11.00249 39.09443 11.26407 19.72740       15.74593 
1 1 1 13  18 6  o 27.25111 9.595244 62.63683       55.46114 184.3284       98.75842 6.578755       67.02903 43.05611 12.61777 22.68237 9.710935 20.37374       15.92201 
1 1 1 13  18 7  o 42.03960 8.842130 165.9934       61.46495 172.2612       104.7096 162.6982       75.92165 41.59715 13.15898 40.94938 10.72844 0.6477737      16.97817 
1 1 1 13  18 8  o 59.07131 7.244830 315.8317       71.54947 419.3211       135.7850 276.0520       84.18501 64.79587 12.72573 54.12812 9.451648 10.66775       15.85175 
1 1 1 13  18 9  o 28.91249 10.28245 72.45184       63.84295 70.43152       129.7993 73.09658       73.32581 33.51040 13.87724 29.62710 10.95083 3.883307       17.67762 
1 1 1 13  18 10 o 66.49980 8.989436 413.8428       99.46688 281.1448       148.0421 523.0412       134.2953 50.44372 15.59975 73.33281 11.06863 -22.88909      19.12765 
1 1 1 13  19 0  o 146.7511 4.712558 1872.881       118.0973 1869.521       194.6570 1874.838       148.5622 144.0416 7.944425 146.0353 5.957287 -1.993698      9.929912 
1 1 1 13  19 1  o 34.28245 10.50013 111.5960       67.25600 -48.38689      113.4431 198.3038       83.51620 25.41910 11.63249 45.12621 10.94922 -19.70711      15.97498 
1 1 1 13  19 2  o 100.7526 5.265272 889.9750       90.27521 837.7655       137.7375 929.2917       119.5272 95.76115 8.511621 102.0173 6.901659 -6.256119      10.95813 
1 1 1 13  19 3  o 27.42314 10.16289 59.54950       63.23583 -35.12940      118.1341 97.57333       74.86461 26.54268 12.03960 32.64868 11.16672 -6.106003      16.42095 
1 1 1 13  19 4  o 23.59399 9.630390 26.48300       61.35183 297.6422       120.8470 -67.67393      71.21144 53.98219 13.21574 18.44272 8.696316 35.53947       15.82030 
1 1 1 13  19 5  o 39.89366 9.088401 151.6420       60.53237 191.8420       109.9464 134.1564       72.51175 43.20088 13.45743 37.06262 10.79772 6.138264       17.25378 
1 1 1 13  19 6  o 78.60113 8.221598 568.4323       108.7207 0.000000       0.000000 568.4323       108.7207 ?        ?        78.60113 8.221598 0.000000       8.221598 
1 1 1 13  19 7  o 25.14653 9.888468 42.10962       62.21659 71.93365       132.3221 33.64474       70.49520 33.49133 13.95202 25.23582 10.31439 8.255518       17.35066 
1 1 1 13  20 0  o 38.86604 10.57409 148.8707       72.04688 310.2662       122.8980 64.36038       88.93113 54.57145 13.30756 29.82163 11.79188 24.74981       17.78032 
1 1 1 13  20 1  o 48.53642 8.496246 221.3420       67.85458 107.7281       108.4289 294.4773       86.99470 34.76337 13.21669 55.55720 9.511647 -20.79382      16.28350 
1 1 1 13  20 2  o 30.79154 10.76576 86.96655       69.75085 23.56544       124.6816 115.8475       84.15109 29.84965 13.01197 34.59756 11.83903 -4.747908      17.59187 
1 1 1 13  20 3  o 85.87827 5.526427 653.4573       80.61527 711.4033       151.0675 630.3862       95.32222 85.74043 10.53964 83.61539 6.732896 2.125031       12.50664 
1 1 1 14  0  0  o 424.6702 9.052752 15440.34       655.8262 15440.34       655.8262 15440.34       655.8262 424.6702 9.052752 424.6702 9.052752 0.000000       0.000000 
1 1 1 14  0  1  o 146.7384 6.955081 1852.381       173.3879 1852.381       173.3879 1852.381       173.3879 146.7384 6.955081 146.7384 6.955081 0.000000       0.000000 
1 1 1 14  0  2  o 684.6023 16.07977 40276.48       1877.495 40276.48       1877.495 40276.48       1877.495 684.6023 16.07977 684.6023 16.07977 0.000000       0.000000 
1 1 1 14  0  3  o 66.71050 8.288443 397.7363       90.49435 397.7363       90.49435 397.7363       90.49435 66.71050 8.288443 66.71050 8.288443 0.000000       0.000000 
1 1 1 14  0  4  o 286.2196 9.113553 7029.883       444.4170 7029.883       444.4170 7029.883       444.4170 286.2196 9.113553 286.2196 9.113553 0.000000       0.000000 
1 1 1 14  0  5  o 306.4906 8.715691 8056.852       455.3294 8056.852       455.3294 8056.852       455.3294 306.4906 8.715691 306.4906 8.715691 0.000000       0.000000 
1 1 1 14  0  6  o 136.1408 5.245379 1590.947       121.5349 1590.947       121.5349 1590.947       121.5349 136.1408 5.245379 136.1408 5.245379 0.000000       0.000000 
1 1 1 14  0  7  f 17.46256 10.75450 19.97615       62.49110 19.97615       62.49110 19.97615       62.49110 17.46256 10.75450 17.46256 10.75450 0.000000       0.000000 
1 1 1 14  0  8  o 139.8455 4.677772 1677.020       111.4261 1677.020       111.4261 1677.020       111.4261 139.8455 4.677772 139.8455 4.677772 0.000000       0.000000 
1 1 1 14  0  9  o 149.2335 4.709540 1909.276       119.7474 1909.276       119.7474 1909.276       119.7474 149.2335 4.709540 149.2335 4.709540 0.000000       0.000000 
1 1 1 14  0  10 o 58.92944 7.077487 309.8675       68.50229 309.8675       68.50229 309.8675       68.50229 58.92944 7.077487 58.92944 7.077487 0.000000       0.000000 
1 1 1 14  0  11 o 162.5009 5.292857 2265.633       146.5220 2265.633       146.5220 2265.633       146.5220 162.5009 5.292857 162.5009 5.292857 0.000000       0.000000 
1 1 1 14  0  12 o 125.4426 5.271357 1353.119       112.4662 1353.119       112.4662 1353.119       112.4662 125.4426 5.271357 125.4426 5.271357 0.000000       0.000000 
1 1 1 14  0  13 o 236.9536 19.10141 5006.300       761.3583 5006.300       761.3583 5006.300       761.3583 236.9536 19.10141 236.9536 19.10141 0.000000       0.000000 
1 1 1 14  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0  15 o 138.4075 5.847723 1648.690       137.6518 1648.690       137.6518 1648.690       137.6518 138.4075 5.847723 138.4075 5.847723 0.000000       0.000000 
1 1 1 14  0  16 f 111.0759 6.605836 1068.484       124.2849 1068.484       124.2849 1068.484       124.2849 111.0759 6.605836 111.0759 6.605836 0.000000       0.000000 
1 1 1 14  0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0  19 o 49.62358 11.66226 245.4363       85.86118 245.4363       85.86118 245.4363       85.86118 49.62358 11.66226 49.62358 11.66226 0.000000       0.000000 
1 1 1 14  0  20 o 65.75848 8.693420 392.9571       92.86871 392.9571       92.86871 392.9571       92.86871 65.75848 8.693420 65.75848 8.693420 0.000000       0.000000 
1 1 1 14  0  21 o 80.09316 6.866572 565.3120       92.32745 565.3120       92.32745 565.3120       92.32745 80.09316 6.866572 80.09316 6.866572 0.000000       0.000000 
1 1 1 14  0  22 o 88.23855 6.685150 684.1533       99.40345 684.1533       99.40345 684.1533       99.40345 88.23855 6.685150 88.23855 6.685150 0.000000       0.000000 
1 1 1 14  0  23 o 41.95781 14.46862 203.7564       93.34393 203.7564       93.34393 203.7564       93.34393 41.95781 14.46862 41.95781 14.46862 0.000000       0.000000 
1 1 1 14  0  24 o 83.90602 7.842145 629.6373       110.1088 629.6373       110.1088 629.6373       110.1088 83.90602 7.842145 83.90602 7.842145 0.000000       0.000000 
1 1 1 14  1  0  o 483.6197 8.084456 20013.95       667.6620 20847.65       943.3488 19177.18       945.0870 493.0926 11.20320 472.8340 11.70472 20.25851       16.20223 
1 1 1 14  1  1  o 142.7292 4.289847 1740.521       104.5578 1787.103       169.0219 1711.646       133.0756 144.5540 6.847168 141.5106 5.506907 3.043442       8.786908 
1 1 1 14  1  2  o 67.00803 5.849541 386.7910       66.26350 426.8274       93.93625 347.1367       93.48685 70.16894 7.981484 63.04691 8.933230 7.122032       11.97943 
1 1 1 14  1  3  o 243.2655 5.704839 5059.778       236.9877 5079.187       334.0108 5040.104       336.3033 243.5670 8.030454 242.6209 8.117101 0.9460754      11.41821 
1 1 1 14  1  4  o 302.9054 5.967852 7847.706       308.6931 7713.421       1053.484 7860.319       322.8650 296.7097 20.92603 303.1243 6.237323 -6.414612      21.83582 
1 1 1 14  1  5  o 475.8242 6.396613 19376.04       519.7549 18243.43       897.9941 19946.61       637.3663 460.5517 11.41808 482.5229 7.735160 -21.97116      13.79149 
1 1 1 14  1  6  o 66.27178 5.228742 377.9982       58.69291 366.8775       69.45747 405.7689       109.7606 65.16108 6.321605 68.05286 9.721177 -2.891785      11.59586 
1 1 1 14  1  7  o 129.5374 3.485220 1434.062       77.09518 1443.218       108.4876 1424.721       109.5787 129.8914 4.891001 129.0524 4.972308 0.8390045      6.974650 
1 1 1 14  1  8  o 73.39302 4.011849 461.9502       50.09026 427.0171       72.16586 494.4260       69.58144 70.34504 6.066876 75.80615 5.410644 -5.461113      8.129086 
1 1 1 14  1  9  o 144.8225 3.514834 1792.983       86.92461 1839.446       129.7269 1755.124       117.1004 146.5816 5.182611 143.2104 4.788307 3.371246       7.056015 
1 1 1 14  1  10 o 98.97739 3.510527 837.6005       59.33490 849.1721       87.27077 827.6532       80.91380 99.44782 5.156617 98.32861 4.818820 1.119209       7.057743 
1 1 1 14  1  11 o 237.3024 3.908659 4817.067       158.3914 5121.648       227.9889 4532.911       220.2122 244.4738 5.461091 229.9712 5.607458 14.50266       7.827330 
1 1 1 14  1  12 o 179.0322 3.645903 2741.561       111.4650 2653.061       160.4883 2824.036       154.9292 175.9418 5.341611 181.5652 4.996876 -5.623383      7.314477 
1 1 1 14  1  13 o 92.43079 14.14885 765.7206       216.2190 762.5349       298.7941 769.2227       313.2796 90.41964 19.89152 90.57188 20.70632 -0.1522446     28.71279 
1 1 1 14  1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1  15 o 165.5690 3.906400 2346.168       110.4479 2422.879       158.1520 2273.136       154.3127 168.0572 5.510813 162.7754 5.551509 5.281784       7.822296 
1 1 1 14  1  16 o 66.84811 8.475813 392.2504       94.58139 305.1102       114.8894 575.4984       166.6058 58.04399 11.98790 80.10992 12.59435 -22.06594      17.38757 
1 1 1 14  1  17 o 169.9953 3.865429 2475.510       112.2113 2600.330       161.2859 2358.412       156.2170 173.9526 5.429546 165.6450 5.522657 8.307602       7.744657 
1 1 1 14  1  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  1  19 o 33.75964 9.477977 102.9946       56.88137 138.9020       81.69719 69.21144       79.24372 39.10228 11.48112 30.87179 11.38948 8.230492       16.17208 
1 1 1 14  1  20 o 142.8297 4.137698 1753.342       100.9205 1821.284       144.0004 1687.758       141.4792 145.1087 5.811232 139.6504 5.932648 5.458389       8.304622 
1 1 1 14  1  21 o 72.80796 5.353298 460.8615       66.09151 515.5754       97.00501 413.4595       90.29076 76.38943 7.534474 68.21476 7.897133 8.174667       10.91481 
1 1 1 14  1  22 o 30.95418 10.34496 83.47497       64.23682 53.30233       90.00933 114.7941       91.70353 29.93207 11.85440 36.06885 12.35880 -6.136782      17.12503 
1 1 1 14  1  23 o 69.61436 6.224900 427.1128       73.21946 392.7657       96.24825 474.2957       112.8081 65.72702 8.795828 72.02866 9.395080 -6.301636      12.86989 
1 1 1 14  1  24 o 33.51836 10.80699 103.5777       70.36764 40.09055       93.64844 185.9056       106.6428 28.84142 11.84957 43.43393 13.20564 -14.59251      17.74264 
1 1 1 14  2  0  o 55.67126 7.155371 269.4492       66.44989 317.7577       92.82713 218.6766       95.16516 60.21189 9.329803 49.51130 11.47915 10.70059       14.79243 
1 1 1 14  2  1  o 207.3021 3.769771 3671.167       133.4506 3623.999       217.8115 3699.515       168.8555 205.8754 6.195470 208.0692 4.752319 -2.193741      7.808226 
1 1 1 14  2  2  o 329.3430 6.209832 9275.373       349.2450 9374.007       493.1502 9176.130       494.6674 330.8435 8.728803 327.3192 8.849932 3.524292       12.43034 
1 1 1 14  2  3  o 51.18438 7.155368 228.5359       60.83207 271.9727       130.8741 216.5650       68.70508 55.13844 13.90259 49.60390 8.411467 5.534534       16.24915 
1 1 1 14  2  4  o 204.8226 4.301038 3585.424       150.4365 3465.945       249.5485 3653.631       188.5485 201.2042 7.262997 206.7085 5.341496 -5.504257      9.015693 
1 1 1 14  2  5  o 187.4115 4.081048 3001.861       130.6080 3143.782       215.6891 2919.693       164.1183 191.6393 6.590855 184.7721 5.201381 6.867203       8.396055 
1 1 1 14  2  6  o 266.1322 4.780211 6056.864       217.2433 6093.079       363.9963 6036.827       270.7524 266.5512 7.996766 265.5752 5.970118 0.9760742      9.979507 
1 1 1 14  2  7  f 29.02752 8.983419 72.09538       49.08423 70.09383       64.61772 74.82568       75.47012 30.01169 10.36942 31.59986 11.18589 -1.588169      15.25283 
1 1 1 14  2  8  f 127.0450 3.527195 1379.698       76.52245 1459.896       110.9029 1306.819       105.7211 130.6114 4.972328 123.5722 5.010018 7.039284       7.058635 
1 1 1 14  2  9  o 64.30376 4.391852 355.3899       47.93812 350.3039       71.79484 359.4817       64.39647 63.55712 6.716715 64.50357 5.912016 -0.9464531     8.947971 
1 1 1 14  2  10 o 66.14294 4.436334 376.0539       49.81806 307.8596       73.67241 433.5079       67.62249 59.40738 7.424199 70.90547 5.631186 -11.49809      9.318208 
1 1 1 14  2  11 o 60.64105 4.731176 316.7557       48.60576 291.3041       72.98207 337.0434       65.15907 57.71795 7.588578 62.37589 6.199379 -4.657936      9.798919 
1 1 1 14  2  12 o 111.6607 3.681686 1066.505       70.20190 1069.405       106.7066 1064.292       93.21619 111.5378 5.620371 111.4668 4.897155 0.7096863E-01  7.454576 
1 1 1 14  2  13 o 240.7931 13.91021 5102.930       569.5424 5070.017       802.0649 5136.406       808.8876 236.2691 20.06922 237.7924 20.10843 -1.523361      28.40990 
1 1 1 14  2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  2  15 o 141.9431 4.070238 1724.760       98.65886 1651.770       141.0033 1794.767       138.0917 138.7024 5.953103 144.6288 5.591272 -5.926422      8.167115 
1 1 1 14  2  16 o 91.53162 4.945146 720.5747       77.00833 748.3904       116.1049 698.7266       102.8994 92.88124 7.381022 89.84444 6.756337 3.036797       10.00638 
1 1 1 14  2  17 o 218.8978 4.257380 4108.107       159.1424 4063.065       234.0639 4146.830       217.0235 217.1610 6.311762 219.5448 5.788709 -2.383774      8.564315 
1 1 1 14  2  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  2  19 o 87.44954 4.870104 660.0873       72.43881 659.2744       117.3130 660.5883       92.09290 86.60537 8.023447 87.18670 6.226442 -0.5813293     10.15600 
1 1 1 14  2  20 o 49.14365 11.51478 225.0012       94.94301 499.7876       200.0136 145.0764       107.8705 71.44234 16.69503 40.38751 13.40228 31.05483       21.40900 
1 1 1 14  2  21 o 60.09418 6.212796 317.0319       62.83559 415.3446       95.94817 243.2037       83.14629 68.16619 8.421716 51.46839 9.818482 16.69780       12.93553 
1 1 1 14  2  22 o 68.54880 6.196320 413.1113       71.74888 309.2816       107.3052 497.0670       96.49068 57.27376 11.37251 74.70053 7.673171 -17.42677      13.71902 
1 1 1 14  2  23 o 91.12795 4.774529 721.3397       74.04073 707.3085       108.6038 733.5245       101.2060 89.28370 7.183933 91.22361 6.540165 -1.939911      9.715074 
1 1 1 14  2  24 o 24.36899 9.990167 25.68107       66.38284 -51.15446      107.4800 73.06757       84.40614 24.73054 11.31931 30.85989 11.67814 -6.129356      16.26363 
1 1 1 14  3  0  o 298.3458 6.348107 7611.140       323.4194 7119.661       449.3666 8139.328       465.8466 288.3267 9.126704 308.3110 8.848139 -19.98431      12.71166 
1 1 1 14  3  1  o 141.5467 4.703025 1712.162       113.6787 1743.181       144.5883 1661.949       183.9630 142.7869 5.929838 139.1363 7.773709 3.650604       9.777195 
1 1 1 14  3  2  o 533.0673 8.443385 24337.00       768.6003 18622.27       3769.852 24584.85       785.0905 441.0346 50.99570 535.7477 8.581387 -94.71310      51.71268 
1 1 1 14  3  3  o 146.9545 3.790942 1845.199       95.13318 1653.436       144.0936 1993.374       126.6629 139.0325 6.069127 152.7066 4.857241 -13.67404      7.773486 
1 1 1 14  3  4  o 190.0116 3.975327 3085.417       128.9897 2931.394       212.7224 3174.983       162.2148 185.0566 6.731420 192.7043 4.929436 -7.647720      8.343342 
1 1 1 14  3  5  o 183.2939 4.007170 2871.520       125.4261 2772.822       207.1752 2928.625       157.5876 179.9483 6.741992 185.0557 4.986750 -5.107437      8.385829 
1 1 1 14  3  6  o 286.3660 4.928451 7014.524       241.0093 6758.771       403.9384 7155.896       300.3221 280.6106 8.429643 289.1010 6.083252 -8.490417      10.39542 
1 1 1 14  3  7  o 295.9163 5.895286 7499.005       297.9035 7363.288       418.8426 7637.953       423.7997 292.7827 8.377287 298.2051 8.322303 -5.422394      11.80846 
1 1 1 14  3  8  o 374.4871 7.101678 12032.34       454.1505 11872.82       640.5324 12193.61       644.0134 371.0773 10.10822 376.0861 10.02780 -5.008759      14.23843 
1 1 1 14  3  9  o 130.8409 3.946295 1464.111       88.17290 1400.429       142.8360 1503.318       112.0757 127.6102 6.577032 132.5186 4.952592 -4.908463      8.233196 
1 1 1 14  3  10 o 88.55434 3.664371 670.6251       55.41294 661.8876       82.65566 677.7579       74.68118 87.71259 5.546914 88.82986 4.942796 -1.117271      7.429636 
1 1 1 14  3  11 o 164.3504 3.739029 2310.423       104.9377 2382.362       154.8763 2249.367       142.6814 166.7230 5.439857 162.0336 5.156563 4.689377       7.495478 
1 1 1 14  3  12 o 236.4003 4.105748 4782.747       165.7457 5085.477       245.4618 4529.039       224.7102 243.4656 5.903973 229.7928 5.726437 13.67281       8.224899 
1 1 1 14  3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  3  14 o 100.4270 4.147326 863.3254       71.12468 881.1952       108.8784 850.0233       93.93820 101.0949 6.338887 99.39706 5.556601 1.697838       8.429549 
1 1 1 14  3  15 o 129.3136 4.045832 1431.520       89.34161 1357.590       139.5651 1482.849       116.2915 125.4996 6.534863 131.5018 5.178625 -6.002136      8.338020 
1 1 1 14  3  16 o 127.1652 3.972739 1384.906       86.27010 1351.204       131.4259 1410.423       114.3561 125.3462 6.139994 128.1905 5.223979 -2.844337      8.061605 
1 1 1 14  3  17 o 147.5398 4.043751 1866.004       101.8816 1901.428       154.9989 1839.057       135.1888 148.5571 6.109891 146.2416 5.413369 2.315445       8.163047 
1 1 1 14  3  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  3  19 o 66.74961 5.865253 387.8235       66.17730 303.2654       103.5230 446.2554       86.05662 57.56161 10.93154 71.32248 7.162480 -13.76086      13.06904 
1 1 1 14  3  20 f 60.30101 6.504825 319.3167       65.92197 216.5039       103.5945 389.2800       85.45717 47.95620 12.51655 66.31095 7.689496 -18.35475      14.68988 
1 1 1 14  3  21 o 76.67313 7.638977 520.8636       98.68692 257.7402       220.1423 587.0400       110.4017 52.27188 19.02908 81.27827 8.060549 -29.00639      20.66588 
1 1 1 14  3  22 o 65.79218 6.221910 381.1756       69.07384 332.2171       109.0165 414.0138       89.28269 59.44276 11.14924 68.01122 7.830459 -8.568451      13.62430 
1 1 1 14  3  23 f 31.34351 10.53677 86.72092       66.64490 258.4626       99.84573 -51.27644      89.50082 51.91294 11.55976 22.40870 10.28327 29.50424       15.47171 
1 1 1 14  3  24 o 66.15549 6.803972 390.6211       75.76961 327.9708       113.0706 441.6830       102.0792 58.13285 11.79330 69.42313 8.808769 -11.29028      14.71993 
1 1 1 14  4  0  o 136.4782 5.902692 1592.585       137.5673 1569.779       152.0547 1695.448       322.9273 135.4749 6.572628 139.7353 13.70964 -4.260391      15.20374 
1 1 1 14  4  1  o 224.4918 7.660005 4314.037       293.6510 4420.245       959.9781 4303.073       308.4356 223.0018 25.67765 224.1759 8.057007 -1.174072      26.91203 
1 1 1 14  4  2  o 368.6007 5.644283 11618.76       355.2768 11324.59       592.3184 11784.06       444.0157 363.3797 9.545367 371.0575 7.007373 -7.677765      11.84134 
1 1 1 14  4  3  f 164.3873 3.978679 2309.326       111.6887 2117.308       175.6105 2439.756       144.7330 157.2887 6.538095 168.9225 5.017394 -11.63387      8.241415 
1 1 1 14  4  4  o 186.2938 3.870669 2966.003       123.1364 2612.169       198.5486 3187.159       156.9700 174.6704 6.656495 193.0684 4.761061 -18.39796      8.183925 
1 1 1 14  4  5  o 114.6302 3.959879 1123.195       77.51447 1130.308       123.2244 1118.536       99.71455 114.7213 6.314310 114.3499 5.106471 0.3714142      8.120748 
1 1 1 14  4  6  o 162.9492 3.940643 2270.024       109.6532 2158.088       181.4776 2334.390       137.6145 158.6901 6.696864 165.1872 4.878496 -6.497162      8.285391 
1 1 1 14  4  7  f 205.8511 4.177618 3623.961       146.8533 3249.656       243.0588 3839.154       184.2943 194.6049 7.314011 211.7910 5.095686 -17.18605      8.914077 
1 1 1 14  4  8  o 145.9684 4.484138 1822.982       111.7738 1829.486       155.9281 1816.108       160.3068 146.0873 6.250433 145.5333 6.450413 0.5539551      8.981968 
1 1 1 14  4  9  o 153.5661 4.522849 2018.225       118.6067 2027.054       165.3095 2008.858       170.2710 153.7347 6.296861 153.0189 6.516191 0.7158356      9.061523 
1 1 1 14  4  10 o 86.91220 4.420728 648.1798       65.39460 640.2259       103.0907 653.5354       84.59254 86.04081 7.079188 87.12710 5.717323 -1.086288      9.099598 
1 1 1 14  4  11 o 74.97968 4.805919 483.4633       61.21097 584.8304       97.17961 416.7976       78.80934 82.20202 6.989255 69.33563 6.741329 12.86639       9.710572 
1 1 1 14  4  12 o 212.8357 13.40033 3981.078       484.5502 3918.541       680.3803 4045.441       690.2411 207.9792 19.38027 211.3697 19.33728 -3.390518      27.37746 
1 1 1 14  4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  4  14 o 228.3732 4.172701 4465.075       162.7288 4519.141       240.1098 4419.146       221.3051 229.3956 6.129469 226.9299 5.710809 2.465698       8.377573 
1 1 1 14  4  15 o 49.02217 6.245691 209.8091       51.09705 144.0674       88.24767 242.9662       62.67161 40.28479 11.96038 52.64731 7.156422 -12.36252      13.93790 
1 1 1 14  4  16 o 146.4351 3.910759 1836.715       97.79309 1951.363       151.3177 1754.484       128.1518 150.6349 5.882503 142.9379 5.250197 7.697083       7.884695 
1 1 1 14  4  17 o 93.55901 4.313467 751.0588       68.91505 792.9543       109.6388 723.6949       88.60737 95.56271 6.762187 91.49983 5.699135 4.062881       8.843490 
1 1 1 14  4  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  4  19 o 97.53751 4.829020 819.3064       80.43269 840.4203       132.4535 806.9722       101.2357 97.75608 8.004649 96.34741 6.185758 1.408669       10.11623 
1 1 1 14  4  20 o 95.06644 4.746061 779.1348       77.04819 818.4058       123.6831 754.2307       98.49401 96.44733 7.570442 93.01315 6.237140 3.434181       9.808848 
1 1 1 14  4  21 f 79.53606 5.967679 553.0558       80.46257 547.2883       130.1461 556.6243       102.3719 77.49760 10.07236 79.20283 7.664857 -1.705223      12.65711 
1 1 1 14  4  22 o 67.12083 6.735437 399.0396       76.16006 274.3546       114.1994 498.9157       102.2086 53.12963 12.74966 74.53278 8.163973 -21.40315      15.13950 
1 1 1 14  4  23 o 130.6328 4.631733 1478.586       103.3232 1440.576       166.0058 1502.622       132.0097 127.1292 7.682828 131.0991 5.896632 -3.969879      9.684840 
1 1 1 14  4  24 o 57.91482 7.282952 302.4174       70.43472 477.6234       116.7750 202.2249       88.30659 71.60812 9.807325 45.55100 11.38419 26.05712       15.02609 
1 1 1 14  5  0  o 276.6356 7.847606 6552.907       370.7210 6332.525       1291.626 6572.691       387.0042 265.8179 28.92116 277.0185 8.180975 -11.20059      30.05598 
1 1 1 14  5  1  o 207.7196 5.090065 3688.965       180.5522 3624.173       260.7024 3748.688       250.2942 205.7335 7.420585 209.2701 7.003930 -3.536575      10.20393 
1 1 1 14  5  2  o 288.0726 5.884408 7099.479       289.4720 6871.126       416.9106 7312.037       402.2343 283.0840 8.624335 292.1024 8.063843 -9.018402      11.80698 
1 1 1 14  5  3  o 386.6672 6.214894 12796.85       410.3675 12533.65       705.3536 12931.53       504.5466 381.7292 10.82056 388.4617 7.605910 -6.732483      13.22627 
1 1 1 14  5  4  o 241.8828 4.443323 5002.591       183.5333 4889.122       303.6825 5067.884       230.3633 238.8194 7.446433 243.3607 5.543206 -4.541306      9.283130 
1 1 1 14  5  5  o 149.0235 3.749941 1898.362       95.42915 1815.954       148.8931 1955.814       124.3207 145.6239 5.987424 151.2056 4.814752 -5.581665      7.683168 
1 1 1 14  5  6  f 94.98492 3.952204 771.4465       64.10560 704.9360       99.70322 818.3197       83.70010 90.45688 6.497840 97.65515 5.036284 -7.198273      8.221075 
1 1 1 14  5  7  o 318.6987 5.569466 8699.384       303.1069 8470.331       506.8001 8826.945       378.2044 313.5536 9.465050 320.7585 6.904728 -7.204803      11.71591 
1 1 1 14  5  8  o 126.1885 4.058284 1362.073       87.45089 1405.880       139.4947 1333.707       112.2474 128.0310 6.380297 124.7902 5.267372 3.240746       8.273657 
1 1 1 14  5  9  o 106.5339 5.028100 972.0236       91.47318 1044.928       129.2256 898.8091       129.5001 110.0948 6.908540 101.9849 7.488234 8.109886       10.18831 
1 1 1 14  5  10 o 68.04061 5.079875 398.8041       58.59764 460.6812       79.57324 325.4947       86.61272 72.97495 6.451924 60.87155 8.569540 12.10340       10.72680 
1 1 1 14  5  11 o 140.6040 3.991358 1691.751       95.83414 1801.345       160.3380 1630.838       119.5358 144.8226 6.483334 137.9548 5.074101 6.867767       8.232868 
1 1 1 14  5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  5  13 f 144.8864 7.443134 1811.760       183.5340 0.000000       0.000000 1811.760       183.5340 ?        ?        144.8864 7.443134 0.000000       7.443134 
1 1 1 14  5  14 o 151.9064 4.180465 1975.807       108.4433 1966.882       183.6526 1980.585       134.3697 151.1613 7.114668 151.9762 5.177543 -0.8149109     8.799173 
1 1 1 14  5  15 o 181.1646 4.391628 2812.441       135.8629 2906.297       229.9630 2762.114       168.3940 183.5727 7.335807 179.3535 5.498127 4.219193       9.167522 
1 1 1 14  5  16 o 26.54578 9.498101 52.74481       54.55309 155.2312       86.23288 -15.64060      70.44035 41.40323 11.68610 22.12151 9.707909 19.28172       15.19238 
1 1 1 14  5  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  5  18 o 82.42963 5.095787 587.3475       71.37751 373.0642       118.2060 710.3179       89.54589 63.94048 11.23589 90.51772 5.824004 -26.57725      12.65560 
1 1 1 14  5  19 o 67.58945 5.288563 396.6976       60.55389 350.9922       95.12360 427.8384       78.51807 62.48335 9.189507 69.87617 6.660833 -7.392822      11.34961 
1 1 1 14  5  20 o 90.32420 5.140630 707.2800       78.96284 687.3386       134.6091 717.7422       97.50056 87.63502 9.128865 90.63929 6.339160 -3.004272      11.11401 
1 1 1 14  5  21 o 109.6950 4.556583 1039.404       85.35480 1159.475       133.9854 957.3932       110.7316 114.8322 6.864129 104.5833 6.228430 10.24885       9.268744 
1 1 1 14  5  22 o 86.36356 5.224605 650.2948       76.68969 813.5828       127.3764 557.4489       96.04912 95.43121 7.886899 79.20205 7.179615 16.22916       10.66537 
1 1 1 14  5  23 o 68.69026 6.428038 418.3357       74.52400 469.7804       136.8686 396.6565       88.84965 69.95615 11.88218 66.20065 8.023317 3.755501       14.33736 
1 1 1 14  6  0  o 221.7627 4.722922 4204.299       178.8551 3992.364       255.6990 4407.326       250.2670 215.9447 6.934011 226.9304 6.458163 -10.98573      9.475674 
1 1 1 14  6  1  o 278.1882 5.597064 6620.347       265.8893 6492.021       383.1169 6739.591       369.3115 275.1839 8.152793 280.4416 7.711672 -5.257690      11.22221 
1 1 1 14  6  2  o 225.4372 5.138629 4347.031       197.8221 4464.258       283.2639 4235.426       276.3882 228.2547 7.267239 222.3264 7.279920 5.928345       10.28640 
1 1 1 14  6  3  o 139.6940 4.499504 1668.741       107.3357 1640.633       154.0481 1695.263       149.6392 138.3969 6.518206 140.7017 6.227935 -2.304810      9.015220 
1 1 1 14  6  4  o 128.1504 4.181655 1404.274       91.51031 1201.947       142.4152 1546.558       119.4285 118.1870 7.089175 134.4318 5.202402 -16.24483      8.793258 
1 1 1 14  6  5  o 196.0456 4.459881 3287.735       149.3077 3123.823       249.8001 3378.843       186.2358 190.7484 7.668842 198.6480 5.490061 -7.899536      9.431432 
1 1 1 14  6  6  o 375.7508 6.066868 12100.36       389.2838 12136.98       652.3757 12080.10       485.1181 375.0461 10.18618 375.0446 7.574650 0.1434326E-02  12.69384 
1 1 1 14  6  7  o 344.4120 5.891739 10166.97       346.5163 10929.71       581.1335 9746.173       431.6458 355.9883 9.559569 336.8087 7.504856 19.17957       12.15353 
1 1 1 14  6  8  o 180.9225 4.033600 2800.364       124.6199 2940.308       204.4080 2717.577       157.2171 185.1017 6.466744 178.1154 5.168880 6.986267       8.278653 
1 1 1 14  6  9  o 284.6322 5.361529 6943.421       260.6001 7023.697       436.1978 6898.864       324.9715 285.3168 8.952704 283.4153 6.714599 1.901520       11.19092 
1 1 1 14  6  10 o 157.1779 4.745850 2115.992       127.3818 2167.607       179.1903 2063.262       181.1151 158.8508 6.605766 154.9458 6.844995 3.905060       9.512629 
1 1 1 14  6  11 o 103.2567 13.42617 948.7275       231.1394 1015.961       312.2215 867.1965       343.8192 105.3272 18.00572 95.88191 21.52614 9.445305       28.06387 
1 1 1 14  6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  6  13 o 235.5326 4.782871 4753.966       192.3719 5020.250       331.0841 4618.250       236.3646 241.2405 8.036858 231.9114 5.968408 9.329117       10.01064 
1 1 1 14  6  14 o 169.0588 4.229637 2447.927       122.1076 2597.475       210.4898 2372.072       149.9104 173.6572 7.098007 166.2748 5.279631 7.382401       8.846254 
1 1 1 14  6  15 f 130.0643 4.368803 1450.275       97.03371 1573.224       163.1446 1382.974       120.7044 134.8346 7.110625 126.8497 5.572265 7.984833       9.033887 
1 1 1 14  6  16 o 145.5638 4.327966 1818.241       107.5819 1835.084       182.0665 1809.205       133.3523 145.3744 7.357945 145.0034 5.385428 0.3709412      9.118235 
1 1 1 14  6  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  6  18 f 149.9320 4.325266 1932.646       110.7412 1747.596       187.7472 2031.378       137.1376 141.2797 7.812357 153.4700 5.232765 -12.19028      9.402912 
1 1 1 14  6  19 o 101.6507 4.679729 890.5289       81.23308 861.8455       144.2557 903.8481       98.30038 98.55525 8.659218 102.0376 5.663736 -3.482346      10.34698 
1 1 1 14  6  20 o 82.14421 5.138530 586.1021       71.71809 766.2942       116.3269 475.6151       91.08938 93.18218 7.370629 73.28203 7.379337 19.90015       10.42980 
1 1 1 14  6  21 o 33.55660 10.52420 102.9696       67.11340 225.4529       116.7922 42.58459       82.00495 47.94294 13.62388 28.02696 11.24364 19.91598       17.66436 
1 1 1 14  6  22 o 37.55825 9.190415 132.0223       58.46326 177.1711       118.9194 117.6324       67.13669 42.80956 14.06551 35.41630 10.41040 7.393257       17.49900 
1 1 1 14  6  23 o 62.06532 7.244835 346.4745       75.34056 330.1150       147.2857 352.2721       87.68000 56.30951 15.03466 62.01741 8.503000 -5.707905      17.27258 
1 1 1 14  7  0  o 237.5005 5.368190 4825.722       217.7180 4909.314       313.5906 4747.934       302.5078 239.3014 7.673896 235.3534 7.526867 3.948013       10.74907 
1 1 1 14  7  1  o 335.3755 6.697121 9635.917       383.5494 9776.331       554.1564 9506.798       531.4006 337.2087 9.623468 332.5906 9.356429 4.618134       13.42214 
1 1 1 14  7  2  o 56.78810 6.151611 279.4205       58.70147 277.8376       81.93123 281.0901       84.14589 56.19868 8.828352 56.49906 9.025208 -0.3003807     12.62514 
1 1 1 14  7  3  o 207.3281 5.075001 3678.737       179.6786 3559.902       258.6692 3789.537       249.7720 203.6806 7.436919 210.2125 6.957982 -6.531891      10.18436 
1 1 1 14  7  4  o 95.96392 4.780093 788.0701       78.33327 771.0613       111.7416 804.5057       109.8428 94.55000 6.969862 96.62634 6.698274 -2.076340      9.666740 
1 1 1 14  7  5  o 76.40466 4.529745 501.2628       58.83744 488.7439       88.82980 511.0482       78.53533 75.14261 7.003297 76.98509 6.021853 -1.842484      9.236280 
1 1 1 14  7  6  o 107.1491 4.116470 982.1683       75.32085 1117.457       120.0261 894.2813       96.74049 113.9864 6.189452 102.0103 5.574552 11.97609       8.329762 
1 1 1 14  7  7  o 348.9962 6.817846 10459.35       406.3215 10471.39       586.0215 10448.21       563.8691 348.1126 9.858070 347.8779 9.491820 0.2346802      13.68489 
1 1 1 14  7  8  o 303.2365 5.387048 7881.466       278.9551 8296.536       480.2270 7670.087       342.7017 310.0277 9.070768 298.8246 6.715805 11.20316       11.28631 
1 1 1 14  7  9  o 73.30164 4.945156 462.4246       61.53885 364.3455       94.63554 534.2835       81.00398 64.39012 8.839890 78.66896 6.076886 -14.27884      10.72717 
1 1 1 14  7  10 o 76.97057 15.18172 539.7197       192.4585 572.9303       267.9035 504.3019       276.6627 78.17420 19.98998 73.44180 21.00295 4.732407       28.99523 
1 1 1 14  7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  7  12 o 220.1799 4.621627 4153.258       173.7699 4133.838       298.3808 4163.225       213.7603 218.9367 7.980873 220.2544 5.683298 -1.317780      9.797664 
1 1 1 14  7  13 o 84.59903 4.850198 615.5125       69.77667 538.8980       108.8025 669.0366       90.94060 78.58149 8.230154 88.03751 6.086428 -9.456024      10.23621 
1 1 1 14  7  14 o 80.87593 5.367284 564.1617       73.70580 421.1525       131.6662 629.4289       88.94873 68.41213 11.69029 85.31798 6.146335 -16.90585      13.20758 
1 1 1 14  7  15 o 72.87256 5.410581 459.2192       66.84962 535.9727       110.9642 415.4923       83.75446 78.09753 8.455406 68.94548 7.220903 9.152054       11.11914 
1 1 1 14  7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  7  17 o 238.6949 4.901731 4905.457       199.7995 5413.807       346.1920 4651.565       244.6578 248.9453 8.143502 231.8693 6.178938 17.07594       10.22232 
1 1 1 14  7  18 o 37.39144 8.079159 127.0206       50.08075 227.9952       89.76132 81.38136       60.34652 49.60202 10.89507 30.67037 10.01694 18.93165       14.80005 
1 1 1 14  7  19 o 68.58349 5.466046 409.7627       63.48534 320.9116       106.5345 458.6894       79.05540 58.83018 11.00912 72.30994 6.470631 -13.47976      12.76988 
1 1 1 14  7  20 o 38.03904 9.092385 134.2300       58.25946 178.9913       91.31919 103.5068       75.65612 43.31449 11.95474 34.01982 11.22092 9.294670       16.39588 
1 1 1 14  7  21 o 36.69744 9.354744 126.0397       58.79880 265.1455       91.93552 29.75443       76.48758 53.06597 10.51703 26.16813 10.72518 26.89784       15.02123 
1 1 1 14  7  22 o 51.02382 8.506241 239.3690       71.50669 -4.850869      145.2654 317.4703       82.14868 31.19467 13.80468 58.96505 8.395471 -27.77037      16.15714 
1 1 1 14  8  0  o 155.7132 4.544889 2073.963       120.8511 2153.622       172.6673 1997.468       169.2040 158.5380 6.377855 152.6727 6.490039 5.865311       9.099321 
1 1 1 14  8  1  o 262.5498 5.516098 5902.336       247.3122 6044.617       356.3948 5770.189       343.4679 265.3084 7.866443 259.2361 7.758696 6.072266       11.04890 
1 1 1 14  8  2  o 145.5592 4.814289 1813.230       119.6668 1737.850       171.5242 1884.714       167.0339 142.3131 7.057950 148.2507 6.597901 -5.937592      9.661623 
1 1 1 14  8  3  o 189.7950 5.460196 3085.359       176.9681 3035.065       254.5795 3132.385       246.1734 187.9146 7.933427 190.9632 7.549001 -3.048584      10.95110 
1 1 1 14  8  4  o 26.04177 8.846575 53.99483       46.98369 74.58738       62.64587 27.52054       71.03128 30.36751 10.21571 26.02824 10.45638 4.339268       14.61837 
1 1 1 14  8  5  o 202.4039 5.135996 3509.071       177.5193 3560.527       256.8056 3461.982       245.6651 203.5369 7.388555 200.7394 7.166529 2.797470       10.29320 
1 1 1 14  8  6  o 305.9958 5.375711 8024.334       280.9011 8339.764       478.1224 7858.070       347.1266 310.9173 9.005177 302.4952 6.719973 8.422150       11.23616 
1 1 1 14  8  7  o 163.0978 4.358222 2277.150       121.3834 2339.934       197.5839 2239.090       153.8363 164.9927 7.012698 161.5964 5.574750 3.396286       8.958558 
1 1 1 14  8  8  o 206.2286 4.358348 3641.295       153.4874 3741.705       262.0981 3588.887       189.3521 208.5268 7.360377 204.5868 5.419892 3.939987       9.140590 
1 1 1 14  8  9  o 116.8488 25.17940 1316.058       487.6087 0.000000       0.000000 1316.058       487.6087 ?        ?        116.8488 25.17940 0.000000       25.17940 
1 1 1 14  8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  8  11 o 223.4490 5.659588 4284.883       215.9559 4034.883       303.9669 4539.681       306.8694 216.2210 8.232402 229.4646 7.831338 -13.24359      11.36232 
1 1 1 14  8  12 o 141.5555 5.434031 1719.474       131.3563 1668.413       170.0522 1795.013       206.8345 138.9975 7.188888 143.8837 8.455171 -4.886185      11.09820 
1 1 1 14  8  13 o 37.34035 8.879671 125.6890       55.79354 75.44433       111.0966 142.6355       64.52007 34.78040 13.34123 39.72897 9.614000 -4.948574      16.44437 
1 1 1 14  8  14 o 41.64133 8.310741 155.6698       57.02658 132.1768       94.21139 169.2551       71.64198 38.93500 12.49950 43.17555 9.924689 -4.240547      15.96048 
1 1 1 14  8  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  8  16 o 125.9782 4.356428 1363.765       93.71909 1485.310       159.2187 1299.327       115.9300 130.5778 7.167821 122.7268 5.531649 7.851028       9.054104 
1 1 1 14  8  17 o 135.7342 4.309108 1584.646       99.88000 1379.993       169.6707 1693.173       123.5567 125.3307 7.969103 140.0820 5.165138 -14.75132      9.496592 
1 1 1 14  8  18 o 115.9328 4.354833 1157.456       86.21437 1223.542       146.4140 1122.380       106.6680 118.0813 7.296807 113.8782 5.485189 4.203186       9.128565 
1 1 1 14  8  19 o 85.75340 5.007029 638.5156       73.00314 730.0642       133.2448 599.2468       87.26668 90.23450 8.757483 82.68842 6.225876 7.546074       10.74500 
1 1 1 14  8  20 o 68.75565 6.076271 416.0951       70.60801 293.8049       123.7613 475.1073       85.97258 54.64983 13.37107 73.17318 6.964290 -18.52335      15.07604 
1 1 1 14  8  21 o 91.58495 5.263352 732.3312       81.97073 734.6688       150.3266 731.3420       97.78780 89.22162 10.04101 91.08026 6.326466 -1.858643      11.86786 
1 1 1 14  8  22 f 69.60925 6.316147 430.1781       74.26201 352.3697       144.0773 458.3280       86.66046 58.44763 14.50404 71.46974 7.198625 -13.02211      16.19220 
1 1 1 14  9  0  o 188.0945 4.381088 3026.969       140.7214 2909.841       200.1705 3141.421       197.8696 184.2118 6.363275 191.4408 6.052609 -7.228943      8.782104 
1 1 1 14  9  1  o 224.8300 5.317602 4329.466       204.1606 4248.558       293.9234 4404.895       283.7963 222.3323 7.741582 226.4615 7.338552 -4.129227      10.66707 
1 1 1 14  9  2  o 343.9308 6.627196 10150.86       389.2269 10036.33       561.1356 10257.06       540.3523 341.0317 9.635431 344.9320 9.173637 -3.900330      13.30403 
1 1 1 14  9  3  o 55.13003 6.560413 264.5051       60.54930 228.0948       79.04915 316.1937       94.18507 50.60676 9.495962 59.80350 9.543420 -9.196735      13.46292 
1 1 1 14  9  4  o 115.3013 4.585785 1138.208       90.29212 1160.770       127.1594 1115.263       128.2321 116.1098 6.438464 113.7750 6.628776 2.334740       9.240913 
1 1 1 14  9  5  o 93.27377 4.770905 747.0762       75.73671 831.4343       107.7722 664.7663       106.4557 98.19060 6.463527 87.64175 7.175963 10.54885       9.657723 
1 1 1 14  9  6  f 168.1607 4.873955 2422.674       139.9613 2232.589       201.9579 2598.333       194.1435 161.0829 7.341918 173.9151 6.537079 -12.83220      9.830420 
1 1 1 14  9  7  o 146.4452 4.240402 1836.081       106.0435 1966.856       171.7122 1755.455       134.8263 151.2748 6.647109 143.0604 5.518909 8.214340       8.639585 
1 1 1 14  9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  9  10 o 71.01545 5.320152 434.9959       64.04885 302.7189       97.02798 537.1451       85.26527 58.25742 10.12035 78.79812 6.391649 -20.54070      11.96974 
1 1 1 14  9  11 o 155.8607 4.436536 2081.270       118.0817 2042.032       197.2320 2103.192       147.4220 153.8969 7.504914 156.5339 5.515081 -2.637054      9.313423 
1 1 1 14  9  12 o 117.9531 5.554391 1195.387       111.8788 1157.770       150.5190 1241.826       167.2397 115.5106 7.674428 119.5027 8.245652 -3.992142      11.26444 
1 1 1 14  9  13 o 236.8320 5.956997 4830.946       240.9183 4716.780       336.7185 4950.690       344.8468 232.9912 8.463022 238.6999 8.460031 -5.708710      11.96640 
1 1 1 14  9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  9  15 o 15.61730 7.343083 -52.26070      50.12486 80.18033       83.81416 -126.0052      62.54189 32.40940 11.75020 14.66917 7.207008 17.74023       13.78434 
1 1 1 14  9  16 o 82.57630 4.910322 589.7518       68.92957 449.2256       116.3185 665.8087       85.57347 70.57285 9.926174 87.55521 5.755485 -16.98235      11.47408 
1 1 1 14  9  17 o 83.90694 4.934538 609.7125       70.39314 700.2827       119.2872 561.3212       87.19368 88.99492 7.932381 80.09966 6.428759 8.895264       10.21037 
1 1 1 14  9  18 o 82.21273 5.096669 587.1705       71.20023 528.3720       117.4892 621.2980       89.50900 76.50941 9.175548 84.21400 6.269059 -7.704590      11.11269 
1 1 1 14  9  19 o 25.52791 9.187359 51.07777       51.11243 63.35439       87.86516 44.79867       62.83853 30.48990 11.81892 26.04322 10.02300 4.446686       15.49669 
1 1 1 14  9  20 o 78.01883 5.757090 534.2050       76.15973 450.2579       127.8521 580.3765       94.81834 69.03255 11.23172 80.85606 6.934265 -11.82351      13.19983 
1 1 1 14  9  21 o 37.59475 9.916855 134.6751       64.58315 83.67954       109.4857 161.8883       79.97986 33.58577 13.14448 40.85770 11.15149 -7.271931      17.23755 
1 1 1 14  10 0  o 102.9843 4.800668 908.1678       84.42574 949.0864       123.7044 872.4918       115.5085 104.8883 6.945786 100.5755 6.764758 4.312744       9.695663 
1 1 1 14  10 1  o 155.3415 4.326507 2065.432       114.7696 2073.482       171.9568 2058.966       154.1214 155.4079 6.479545 154.9442 5.824862 0.4636078      8.712837 
1 1 1 14  10 2  o 97.86231 4.425517 819.8774       73.95735 719.3088       108.7234 906.4892       100.8975 91.21513 7.034296 102.6456 5.779749 -11.43047      9.104220 
1 1 1 14  10 3  o 24.82393 7.903451 52.03315       37.72595 24.71875       60.74073 69.18757       48.13624 24.17938 9.684962 28.44384 8.911668 -4.264462      13.16117 
1 1 1 14  10 4  o 160.5212 4.864486 2207.670       133.3433 2265.064       191.7975 2153.977       185.5113 162.3086 6.919893 158.2875 6.863126 4.021149       9.746149 
1 1 1 14  10 5  o 181.7422 4.960674 2830.759       153.9566 2824.136       222.1035 2836.884       213.6004 181.1608 7.179419 181.6255 6.886892 -0.4647064     9.948535 
1 1 1 14  10 6  o 298.2729 19.12688 8059.545       969.0916 6835.395       1681.732 8668.119       1185.758 251.4116 40.55115 305.6476 22.88423 -54.23602      46.56269 
1 1 1 14  10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  10 8  o 195.0981 9.069048 3292.831       302.1459 0.000000       0.000000 3292.831       302.1459 ?        ?        195.0981 9.069048 0.000000       9.069048 
1 1 1 14  10 9  o 114.3765 4.393358 1120.670       85.80947 1041.236       137.0889 1171.841       110.0303 109.6826 7.361872 116.8480 5.514286 -7.165405      9.198071 
1 1 1 14  10 10 o 47.57132 8.349563 201.2175       65.35414 293.7885       98.30229 127.8916       87.48924 57.24785 10.44015 38.32254 12.01559 18.92532       15.91764 
1 1 1 14  10 11 o 66.78136 6.145752 387.0219       69.29969 396.3679       108.0444 380.4898       90.32729 66.80000 9.759567 65.79433 8.218764 1.005676       12.75920 
1 1 1 14  10 12 o 157.0677 4.432877 2117.090       118.8980 2282.493       200.3469 2027.164       147.7245 162.4122 7.223742 153.4573 5.637193 8.954819       9.162991 
1 1 1 14  10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  10 14 o 92.59067 6.183656 744.7767       97.20969 894.7092       128.7826 546.2099       148.2049 101.1273 7.511022 77.49731 11.55183 23.63004       13.77898 
1 1 1 14  10 15 o 50.52958 9.108985 231.4143       75.70770 228.6407       96.99577 235.7383       121.1084 49.49863 11.66604 49.86012 13.76964 -0.3614922     18.04715 
1 1 1 14  10 16 o 72.96555 5.035266 461.8804       62.35570 532.8720       110.0737 428.3325       75.66813 77.34162 8.472945 69.90606 6.410033 7.435562       10.62447 
1 1 1 14  10 17 o 95.92363 4.507470 794.0386       73.83467 748.7463       128.7636 816.2260       90.12285 91.65588 8.317373 96.86604 5.470683 -5.210152      9.955253 
1 1 1 14  10 18 o 21.88429 8.969568 18.17864       53.49748 22.53532       111.7541 16.88346       60.93283 29.73044 12.62865 22.90323 9.498265 6.827204       15.80189 
1 1 1 14  10 19 o 45.58038 8.141505 190.2669       61.04488 340.0729       132.3927 149.8180       68.79432 58.58176 13.51015 39.77474 10.10755 18.80702       16.87266 
1 1 1 14  10 20 o 47.49447 7.832079 206.2442       61.30718 219.8685       113.5681 200.6410       72.83077 46.76110 13.48153 46.14597 9.556766 0.6151314      16.52524 
1 1 1 14  11 0  o 173.4243 4.950103 2577.245       146.5973 2549.297       209.0257 2604.299       205.6552 172.1528 7.110233 174.0339 6.919965 -1.881165      9.921761 
1 1 1 14  11 1  o 52.37094 5.875939 238.2994       51.64319 245.0638       71.60299 230.9658       74.55544 52.69952 8.225166 50.99662 8.884103 1.702892       12.10705 
1 1 1 14  11 2  o 181.4862 5.062277 2823.386       156.8886 2678.185       236.4493 2937.592       209.6995 176.2707 7.855177 184.8582 6.642886 -8.587509      10.28746 
1 1 1 14  11 3  o 75.33929 4.990880 488.6562       63.84603 461.4202       88.95590 517.5922       91.69000 72.85960 7.245784 77.24601 7.027816 -4.386406      10.09414 
1 1 1 14  11 4  o 219.8425 12.17359 4237.650       455.2348 4259.659       959.1447 4231.250       517.2020 209.8186 27.42568 218.8043 13.91441 -8.985718      30.75352 
1 1 1 14  11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11 7  o 132.0749 5.022387 1495.863       113.2746 1437.721       158.2712 1556.920       162.1895 128.9910 7.214142 134.2719 7.098747 -5.280884      10.12107 
1 1 1 14  11 8  o 98.63985 5.020184 836.6439       84.28238 763.5616       120.8853 905.7731       117.5704 93.78108 7.614168 102.3600 6.764270 -8.578949      10.18484 
1 1 1 14  11 9  o 66.77926 6.615667 387.7698       74.45007 415.8930       107.3872 361.7427       103.3078 68.57854 9.418549 63.78277 9.798183 4.795773       13.59093 
1 1 1 14  11 10 o 173.3246 4.485023 2577.103       132.7476 2446.849       221.4025 2650.209       165.8686 168.1189 7.711946 175.5513 5.532969 -7.432434      9.491463 
1 1 1 14  11 11 o 234.4961 4.858788 4726.066       194.5654 4666.524       332.2594 4757.138       240.0226 231.5075 8.404467 234.8680 5.984480 -3.360474      10.31742 
1 1 1 14  11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11 13 o 90.11682 5.091832 701.9985       78.03701 805.0233       125.5845 637.1961       99.60036 95.78468 7.744072 85.40219 6.888103 10.38249       10.36420 
1 1 1 14  11 14 o 111.5946 5.668942 1080.039       107.6758 1140.385       144.3952 1004.449       161.6075 114.0431 7.455534 106.3682 8.981064 7.674904       11.67238 
1 1 1 14  11 15 o 117.2575 5.565356 1190.813       111.4386 1183.689       149.8092 1199.638       166.7433 115.9685 7.606935 116.3470 8.450168 -0.3785019     11.36973 
1 1 1 14  11 16 o 37.69712 10.78221 132.4958       72.90775 92.16373       92.78979 197.5718       117.8651 33.85255 12.34959 45.37441 13.90069 -11.52186      18.59413 
1 1 1 14  11 17 o 23.57068 9.172871 33.86807       53.08781 159.2933       118.2378 2.198854       59.41317 41.25167 14.03385 21.30397 9.132293 19.94770       16.74358 
1 1 1 14  11 18 o 28.67044 9.388247 72.86660       52.99637 136.7496       105.1850 51.13229       61.35278 38.45945 13.23319 26.51137 9.973646 11.94807       16.57079 
1 1 1 14  11 19 o 68.55482 5.721830 414.1370       66.37242 441.4297       123.4286 403.0345       78.72322 68.15142 10.97862 67.12617 6.969247 1.025253       13.00387 
1 1 1 14  12 0  o 183.3394 4.161882 2878.282       130.3009 2870.444       207.9368 2883.349       167.2001 182.6792 6.665614 183.3304 5.340724 -0.6511841     8.541296 
1 1 1 14  12 1  o 269.5599 16.21675 6499.074       743.0109 6318.158       1328.328 6581.455       896.3535 250.5860 31.75422 268.4211 19.69256 -17.83511      37.36479 
1 1 1 14  12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12 4  o 109.0729 15.75285 1077.265       284.9091 0.000000       0.000000 1077.265       284.9091 ?        ?        109.0729 15.75285 0.000000       15.75285 
1 1 1 14  12 5  o 178.8048 5.235438 2743.133       159.8579 2679.032       224.4297 2809.146       227.7534 176.2633 7.456181 180.5089 7.388638 -4.245575      10.49698 
1 1 1 14  12 6  o 103.0401 5.564776 914.3013       97.55342 756.5114       134.2632 1090.758       141.9830 93.13231 8.537199 112.2155 7.451745 -19.08323      11.33191 
1 1 1 14  12 7  o 155.1588 5.249449 2066.932       139.0887 1944.176       187.5421 2216.985       207.3481 150.0910 7.317153 160.2138 7.578763 -10.12276      10.53463 
1 1 1 14  12 8  o 62.56980 7.702066 343.6675       80.55759 347.1751       104.3882 338.5029       126.6683 62.28830 10.16456 60.83594 12.60712 1.452366       16.19437 
1 1 1 14  12 9  o 63.79710 6.719257 355.4343       72.10152 338.1638       104.8685 370.9174       99.29359 61.28057 10.39256 64.56333 9.272128 -3.282757      13.92758 
1 1 1 14  12 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  12 12 o 40.43573 9.488187 149.9398       64.38887 155.3605       93.87156 145.1231       88.48612 41.12019 12.36463 39.83080 12.01098 1.289394       17.23797 
1 1 1 14  12 13 o 40.51105 9.491739 151.1010       64.51435 112.7374       110.2796 171.0614       79.54636 37.25478 13.48265 42.86744 10.85530 -5.612667      17.30952 
1 1 1 14  12 14 o 155.3895 4.391547 2080.969       116.5309 1808.654       195.9501 2229.975       144.9480 143.1018 8.051318 160.5219 5.287813 -17.42010      9.632481 
1 1 1 14  12 15 o 57.43843 6.730839 292.5105       64.76799 398.2076       108.3161 233.6860       80.80538 65.86736 9.939107 50.22980 9.772304 15.63756       13.93857 
1 1 1 14  12 16 o 38.94943 12.05344 143.7363       88.36629 174.1248       129.8799 117.5456       120.5758 42.80703 14.70617 37.52780 14.00852 5.279232       20.31035 
1 1 1 14  12 17 o 76.19743 7.872440 522.2647       100.9592 634.2287       128.5211 341.8324       163.1520 83.31075 9.186573 57.15556 16.05387 26.15519       18.49648 
1 1 1 14  12 18 o 95.46004 6.511624 807.6599       105.5146 751.1984       143.6613 873.7924       155.4787 90.24705 9.462697 97.38309 9.469190 -7.136040      13.38687 
1 1 1 14  13 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  13 1  f 58.24239 6.998278 296.2476       68.21019 223.2092       95.85941 371.1575       97.07973 49.58403 11.53796 64.87212 9.006285 -15.28809      14.63686 
1 1 1 14  13 2  o 228.8243 5.048422 4491.688       197.2694 4742.741       323.3531 4342.855       248.9693 234.2784 8.082447 224.6592 6.489626 9.619171       10.36538 
1 1 1 14  13 3  o 164.0395 4.587890 2306.686       128.5178 2197.602       200.3717 2382.927       167.5135 159.6203 7.350999 166.5151 5.891070 -6.894821      9.420292 
1 1 1 14  13 4  o 127.0584 4.815495 1384.654       104.4832 1318.021       157.8758 1436.582       139.3713 123.3400 7.531752 129.2094 6.316512 -5.869331      9.829833 
1 1 1 14  13 5  o 53.29758 6.808559 248.8027       60.55157 189.2897       85.26125 309.3647       86.00937 45.60439 11.06165 59.09463 8.790803 -13.49024      14.12934 
1 1 1 14  13 6  o 108.5459 5.051915 1012.124       93.64213 904.5409       128.9534 1132.145       136.2038 101.9913 7.455692 114.2742 7.013642 -12.28294      10.23614 
1 1 1 14  13 7  o 100.0572 5.830880 865.5767       99.19686 901.3301       132.2053 819.5170       150.0551 101.6560 7.672293 96.44830 9.223208 5.207718       11.99715 
1 1 1 14  13 8  o 110.6303 5.669530 1058.139       106.7484 1068.910       143.0668 1044.612       160.3349 110.6455 7.618298 109.0160 8.684670 1.629417       11.55257 
1 1 1 14  13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  13 10 f 24.54016 9.810406 28.72697       62.19184 -0.6739415     86.11281 60.78186       89.91547 25.45996 10.95609 30.98122 11.97093 -5.521257      16.22772 
1 1 1 14  13 11 o 69.60823 6.420499 424.3143       75.45858 458.9688       123.2974 403.5615       95.41402 71.02752 10.48030 67.24358 8.498988 3.783943       13.49331 
1 1 1 14  13 12 o 119.7478 4.559138 1236.327       93.22922 1009.586       150.0580 1378.870       118.9782 106.7329 8.298245 126.1777 5.521827 -19.44477      9.967520 
1 1 1 14  13 13 o 42.55119 9.288755 167.2808       65.60111 239.7226       100.4692 113.4424       86.61323 50.23439 11.89567 35.76780 12.01208 14.46659       16.90553 
1 1 1 14  13 14 o 20.97734 9.036310 -0.4082901     58.69983 -76.89523      100.1220 39.65231       72.45940 22.73073 10.58601 26.66520 10.61219 -3.934473      14.98941 
1 1 1 14  13 15 o 81.67892 5.480270 583.8214       75.99582 456.9505       129.8348 649.9416       93.72975 69.48939 11.33195 85.81014 6.443464 -16.32076      13.03577 
1 1 1 14  13 16 o 166.9065 4.466542 2413.546       127.3054 2343.302       222.5419 2447.714       155.2092 161.8434 8.052203 167.5076 5.426016 -5.664154      9.709769 
1 1 1 14  13 17 o 64.04646 5.964008 363.4009       64.47832 234.8673       121.9298 413.2983       75.96972 47.84963 14.01938 68.05884 6.620430 -20.20921      15.50397 
1 1 1 14  14 0  o 178.0458 4.719113 2718.835       143.4809 2741.297       228.8033 2704.277       184.1991 178.1672 7.520257 177.3061 6.083616 0.8610535      9.672882 
1 1 1 14  14 1  o 173.8371 4.747342 2592.458       140.9272 2497.458       228.3452 2650.906       179.1072 169.9228 7.869340 175.5440 5.974823 -5.621216      9.880537 
1 1 1 14  14 2  o 114.8731 4.715660 1132.344       92.50446 1101.908       144.5750 1153.440       120.3685 112.6355 7.560346 115.5838 6.120176 -2.948334      9.727044 
1 1 1 14  14 3  o 156.4922 4.591352 2101.711       122.6974 2013.784       197.9060 2156.609       156.3782 152.5103 7.599027 158.2863 5.785367 -5.776031      9.550690 
1 1 1 14  14 4  o 149.9171 4.583424 1929.797       117.3392 1840.946       178.8973 1996.882       155.4479 145.8320 7.183715 152.2015 5.980866 -6.369568      9.347541 
1 1 1 14  14 5  o 53.30540 7.953168 252.2903       70.18056 317.3520       96.72394 179.9576       101.9856 59.37720 9.886876 44.27748 12.77850 15.09972       16.15674 
1 1 1 14  14 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  14 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  14 8  o 60.75365 8.012581 328.0728       81.09972 211.0812       119.1399 429.0911       110.7083 47.39127 13.85035 69.06670 9.650206 -21.67543      16.88072 
1 1 1 14  14 9  o 73.96414 6.751354 479.9539       84.33357 493.8402       110.4488 460.5387       130.5990 74.33067 8.877052 70.84907 11.16409 3.481598       14.26321 
1 1 1 14  14 10 o 96.36891 5.743103 808.0208       94.08267 669.6354       140.5934 920.2451       126.6087 86.18405 9.722857 102.2979 7.295430 -16.11386      12.15554 
1 1 1 14  14 11 o 91.74482 5.292973 731.3757       82.57243 696.6292       129.5648 755.1407       107.1519 88.23764 8.712436 92.70649 6.816232 -4.468849      11.06199 
1 1 1 14  14 12 o 36.40947 10.30032 123.7682       66.91393 82.08186       105.3781 151.9329       86.61761 33.72121 12.97911 40.07524 11.83747 -6.354031      17.56653 
1 1 1 14  14 13 f 59.51443 7.288204 317.2660       72.52251 335.9586       116.0689 305.2947       92.88633 59.15549 11.90219 57.30796 9.846317 1.847527       15.44707 
1 1 1 14  14 14 o 24.24560 9.854616 27.59420       63.90046 72.41223       102.2861 -1.093525      81.83484 32.28072 12.68373 24.31256 10.57062 7.968159       16.51105 
1 1 1 14  14 15 o 76.24151 5.677771 511.4508       73.39184 701.8558       127.8240 417.8119       89.63990 87.78022 8.639279 67.93271 7.873121 19.84751       11.68859 
1 1 1 14  14 16 o 41.37153 9.188041 162.2448       63.22263 175.6861       112.0472 155.9665       76.57742 41.82142 13.64880 39.98280 10.91130 1.838619       17.47416 
1 1 1 14  15 0  o 135.8884 4.715348 1586.478       109.4203 1519.510       165.5316 1638.448       145.8227 132.2070 7.361225 137.7862 6.197517 -5.579132      9.622725 
1 1 1 14  15 1  f 240.9122 5.047364 4993.336       207.6469 5065.776       351.0601 4954.355       257.5255 240.9650 8.531503 239.4657 6.297598 1.499252       10.60407 
1 1 1 14  15 2  o 42.49053 9.024928 163.8633       63.46257 22.85496       86.96979 324.4605       92.81430 27.46338 11.36505 60.15625 9.337827 -32.69288      14.70916 
1 1 1 14  15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  15 5  o 68.51292 6.902310 412.0682       79.65498 456.0295       121.3886 378.8237       105.5608 70.98744 10.31561 64.74854 9.858306 6.238907       14.26878 
1 1 1 14  15 6  o 89.83794 5.383197 699.8712       82.20454 750.6003       122.0795 657.7875       111.1914 92.28175 7.820405 86.42057 7.612178 5.861183       10.91348 
1 1 1 14  15 7  f 59.21309 6.865814 309.5943       68.13601 288.8750       98.46394 328.6318       94.38329 55.91398 10.70212 60.17387 9.500417 -4.259892      14.31060 
1 1 1 14  15 8  o 54.80522 7.651740 268.4394       69.65854 432.9808       98.28887 102.3950       98.73676 69.54442 8.449983 35.37406 12.76437 34.17036       15.30788 
1 1 1 14  15 9  o 171.4676 4.679368 2539.566       137.0159 2682.338       227.9189 2458.769       171.4568 174.5533 7.646285 168.1109 5.972512 6.442352       9.702400 
1 1 1 14  15 10 o 64.98089 7.520451 377.0775       81.90882 508.7831       117.3066 251.7733       114.4204 74.76127 9.396047 50.82795 13.10006 23.93332       16.12133 
1 1 1 14  15 11 o 33.94299 10.97457 105.4436       72.52844 127.4341       104.1858 84.76571       101.0285 37.58582 13.15661 33.40888 12.74432 4.176937       18.31704 
1 1 1 14  15 12 o 52.47417 8.663810 253.4055       74.92521 289.4452       133.3915 236.7940       90.56100 53.34958 14.33526 49.69526 10.96544 3.654316       18.04829 
1 1 1 14  15 13 o 55.82218 7.871517 283.3958       72.95262 230.8530       114.8426 318.9426       94.45972 47.88526 13.47567 58.35028 9.829206 -10.46503      16.67953 
1 1 1 14  15 14 o 65.86631 6.590662 387.5587       73.13513 418.3859       122.0646 370.2948       91.34631 65.87644 11.25490 63.37704 8.667462 2.499401       14.20555 
1 1 1 14  15 15 o 69.94510 8.706560 452.1083       101.7426 406.3021       147.7371 493.4309       140.3206 62.54993 14.16078 70.83079 12.03146 -8.280861      18.58181 
1 1 1 14  16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  16 2  o 103.7413 5.431135 932.7133       95.88081 815.7608       150.2419 1013.072       124.5383 95.61788 9.319792 107.6838 6.807562 -12.06596      11.54129 
1 1 1 14  16 3  o 56.77574 8.338678 289.1389       78.43775 239.0560       118.5201 328.1702       104.6294 50.02994 13.54177 59.73771 10.64697 -9.707775      17.22607 
1 1 1 14  16 4  o 25.10649 10.86658 -2.751922      85.70444 -102.1449      129.7935 74.08830       114.1220 25.76964 12.01855 34.11069 13.39917 -8.341053      17.99953 
1 1 1 14  16 5  o 75.60150 7.099858 504.3985       90.58670 328.7098       144.9264 617.0509       116.0502 57.94127 14.64128 83.22385 8.275495 -25.28259      16.81817 
1 1 1 14  16 6  o 31.25776 10.36518 85.36044       64.52490 68.15414       95.84782 99.62144       87.25959 31.85835 12.34560 34.27464 12.03813 -2.416285      17.24327 
1 1 1 14  16 7  o 126.2962 4.862527 1380.418       104.8707 1231.783       164.9928 1481.169       135.8407 117.5666 8.270933 130.3222 6.103930 -12.75560      10.27941 
1 1 1 14  16 8  o 88.96529 5.516550 691.3361       83.39561 715.7278       132.0038 675.1339       107.5852 89.02415 8.798273 87.18704 7.292994 1.837112       11.42792 
1 1 1 14  16 9  f 45.34010 9.577596 192.8069       71.83095 179.2197       107.6619 203.7074       96.43198 42.83538 13.31250 45.70283 12.14765 -2.867455      18.02188 
1 1 1 14  16 10 o 62.97987 8.113776 360.3801       85.23293 468.6673       136.3207 290.8782       109.2122 69.79056 11.86292 54.58714 12.03940 15.20341       16.90196 
1 1 1 14  16 11 o 44.89394 10.95365 195.0658       83.23092 132.2796       131.0418 237.5220       107.7576 38.71399 14.57380 48.78008 12.78204 -10.06609      19.38495 
1 1 1 14  16 12 o 40.05445 10.24314 154.7968       70.33906 56.23800       109.6192 223.7801       91.70877 31.26462 12.82979 47.73539 11.40621 -16.47077      17.16697 
1 1 1 14  16 13 o 82.17751 6.003397 598.9434       83.66352 483.1611       132.8414 675.0597       107.7087 70.44247 11.43539 86.47609 7.363917 -16.03362      13.60130 
1 1 1 14  17 0  o 82.85364 5.464188 597.5278       76.87658 577.6229       110.0191 616.5195       107.4657 80.54314 8.109318 83.42675 7.627724 -2.883606      11.13298 
1 1 1 14  17 1  o 57.52719 7.684067 295.9967       73.59915 357.2552       110.8050 247.6319       98.45576 62.03227 10.85563 51.17989 11.54062 10.85238       15.84395 
1 1 1 14  17 2  o 34.21842 13.58827 73.62283       118.5581 0.000000       0.000000 73.62283       118.5581 ?        ?        34.21842 13.58827 0.000000       13.58827 
1 1 1 14  17 3  o 93.16853 5.614285 757.0594       88.90624 820.4469       145.1281 718.9806       112.4842 95.47600 9.007800 90.10364 7.375122 5.372360       11.64186 
1 1 1 14  17 4  o 58.00922 8.494157 305.2801       81.65027 207.2228       124.4648 379.3589       108.1817 46.05878 14.31361 64.00396 10.24338 -17.94518      17.60132 
1 1 1 14  17 5  o 62.25657 8.020855 349.7480       83.28903 485.2588       128.2557 250.9253       109.5262 72.10359 10.74454 50.67532 12.68590 21.42827       16.62459 
1 1 1 14  17 6  o 20.79383 9.428360 -32.55244      72.35971 -135.2507      112.3488 40.24708       94.59128 21.90577 10.49575 29.00426 11.91191 -7.098497      15.87622 
1 1 1 14  17 7  o 57.67689 7.895291 302.1168       75.72121 155.4678       128.5008 380.1259       93.72146 40.67611 14.57491 64.39268 8.749750 -23.71657      16.99959 
1 1 1 14  17 8  o 97.89719 5.361749 839.4398       89.29443 847.3019       154.7675 835.5167       109.3258 95.78172 9.591165 97.02249 6.638434 -1.240776      11.66444 
1 1 1 14  17 9  o 48.13995 9.645839 219.2518       76.53239 219.8395       129.7087 218.9379       94.79115 46.21416 14.64861 47.12028 11.80494 -0.9061165     18.81325 
1 1 1 14  17 10 o 29.14849 10.64332 70.70714       68.94350 110.9315       104.5341 39.74026       91.71955 35.32369 13.07145 28.27247 11.68324 7.051224       17.53171 
1 1 1 14  17 11 o 23.41420 9.908296 14.98849       68.37701 30.93711       102.4347 2.170768       91.83132 28.55779 12.10851 25.45670 11.13007 3.101088       16.44671 
1 1 1 14  18 0  o 42.80637 9.879866 172.6423       70.75496 350.1024       112.2216 55.55219       91.15620 60.75406 11.23048 29.99605 11.91387 30.75801       16.37266 
1 1 1 14  18 1  o 50.83416 8.373775 236.6271       70.15910 174.4488       99.51337 298.0775       98.92913 42.32637 12.73156 56.11555 10.71459 -13.78919      16.64016 
1 1 1 14  18 2  o 56.24030 7.010509 283.6182       65.86667 325.6466       103.2296 254.7579       85.54262 58.62255 10.70640 52.03035 9.990928 6.592205       14.64396 
1 1 1 14  18 3  o 37.73434 9.966108 135.5910       65.17354 280.9763       98.43443 22.10962       86.96593 54.08568 11.03149 26.61425 11.21349 27.47143       15.73010 
1 1 1 14  18 4  o 74.23845 9.163080 508.3974       113.6992 0.000000       0.000000 508.3974       113.6992 ?        ?        74.23845 9.163080 0.000000       9.163080 
1 1 1 14  18 5  o 42.31471 10.68288 173.4717       77.20496 121.9494       122.8623 207.0918       99.24772 37.34122 14.09944 45.56182 12.41689 -8.220604      18.78759 
1 1 1 14  18 6  o 57.83811 8.167663 306.8059       78.42555 290.1167       128.9411 316.6051       98.80229 52.98244 14.02979 57.59056 10.43051 -4.608128      17.48230 
1 1 1 14  18 7  o 34.36742 10.52882 113.0766       67.61915 110.6449       102.6202 114.9426       89.89429 35.16691 12.96322 35.08497 12.22435 0.8193970E-01  17.81796 
1 1 1 14  18 8  o 62.35196 6.890612 351.0291       72.14244 313.6883       115.9181 374.6358       92.16729 55.64344 12.50401 63.43977 8.739730 -7.796333      15.25560 
1 1 1 14  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  19 0  o 68.81176 6.260727 421.4290       72.76336 494.9089       110.7348 365.5940       96.52783 73.07580 9.068701 62.54105 9.323174 10.53475       13.00626 
1 1 1 14  19 1  o 35.77401 10.34108 123.1746       66.74150 98.88081       114.3511 135.7259       82.19373 34.82028 13.48713 37.34564 11.63601 -2.525356      17.81290 
1 1 1 14  19 2  o 44.02481 8.629101 181.7077       62.55378 232.6469       100.1556 149.1287       80.09736 48.17453 12.17045 38.96955 11.34708 9.204979       16.63960 
1 1 1 14  19 3  o 45.67396 9.122385 197.5613       68.66038 164.2658       102.5756 224.5889       92.41774 40.42390 13.04940 47.55783 11.50489 -7.133926      17.39682 
1 1 1 14  19 4  o 68.34013 6.655877 419.6363       76.68952 371.0255       133.8849 443.3739       93.55872 59.94018 13.41491 69.50204 8.030741 -9.561867      15.63498 
1 1 1 14  19 5  o 40.12128 9.611317 155.8674       64.98489 199.3856       125.2785 139.8471       76.01088 43.40356 14.44519 37.57307 11.08639 5.830482       18.20911 
1 1 1 14  19 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  20 0  o 51.48289 9.014095 251.9739       76.36030 266.6190       123.7004 242.9573       97.06065 49.72592 13.98291 48.88162 11.76888 0.8443031      18.27644 
1 1 1 14  20 1  o 70.04290 6.405878 441.2882       75.77206 486.3231       118.3111 409.9703       98.66134 71.10841 10.02112 65.92142 8.999445 5.186981       13.46896 
1 1 1 15  0  0  o 424.5765 10.36532 15450.86       750.5085 15450.86       750.5085 15450.86       750.5085 424.5765 10.36532 424.5765 10.36532 0.000000       0.000000 
1 1 1 15  0  1  o 457.1485 9.165892 17896.76       714.8910 17896.76       714.8910 17896.76       714.8910 457.1485 9.165892 457.1485 9.165892 0.000000       0.000000 
1 1 1 15  0  2  f 221.0371 17.67241 4281.035       657.2476 4281.035       657.2476 4281.035       657.2476 221.0371 17.67241 221.0371 17.67241 0.000000       0.000000 
1 1 1 15  0  3  o 29.81655 15.59983 110.8458       104.3653 110.8458       104.3653 110.8458       104.3653 29.81655 15.59983 29.81655 15.59983 0.000000       0.000000 
1 1 1 15  0  4  o 248.3625 5.507203 5279.379       233.3118 5279.379       233.3118 5279.379       233.3118 248.3625 5.507203 248.3625 5.507203 0.000000       0.000000 
1 1 1 15  0  5  o 19.38403 10.65276 44.64058       50.87920 44.64058       50.87920 44.64058       50.87920 19.38403 10.65276 19.38403 10.65276 0.000000       0.000000 
1 1 1 15  0  6  o 152.4869 4.972956 1993.667       129.1818 1993.667       129.1818 1993.667       129.1818 152.4869 4.972956 152.4869 4.972956 0.000000       0.000000 
1 1 1 15  0  7  o 45.76122 8.999720 198.7339       62.57380 198.7339       62.57380 198.7339       62.57380 45.76122 8.999720 45.76122 8.999720 0.000000       0.000000 
1 1 1 15  0  8  o 111.1978 5.151774 1063.949       97.34782 1063.949       97.34782 1063.949       97.34782 111.1978 5.151774 111.1978 5.151774 0.000000       0.000000 
1 1 1 15  0  9  o 32.97348 12.31250 125.5486       64.59613 125.5486       64.59613 125.5486       64.59613 32.97348 12.31250 32.97348 12.31250 0.000000       0.000000 
1 1 1 15  0  10 o 32.42976 11.09787 117.0718       55.19934 117.0718       55.19934 117.0718       55.19934 32.42976 11.09787 32.42976 11.09787 0.000000       0.000000 
1 1 1 15  0  11 o 36.32804 10.72040 139.1035       57.81488 139.1035       57.81488 139.1035       57.81488 36.32804 10.72040 36.32804 10.72040 0.000000       0.000000 
1 1 1 15  0  12 o 26.24957 17.48746 -59.55381      212.1083 -59.55381      212.1083 -59.55381      212.1083 26.24957 17.48746 26.24957 17.48746 0.000000       0.000000 
1 1 1 15  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0  14 o 262.3957 6.331876 5907.128       283.3475 5907.128       283.3475 5907.128       283.3475 262.3957 6.331876 262.3957 6.331876 0.000000       0.000000 
1 1 1 15  0  15 o 256.3587 6.356236 5641.224       277.8730 5641.224       277.8730 5641.224       277.8730 256.3587 6.356236 256.3587 6.356236 0.000000       0.000000 
1 1 1 15  0  16 o 65.86456 8.278200 390.1157       89.11764 390.1157       89.11764 390.1157       89.11764 65.86456 8.278200 65.86456 8.278200 0.000000       0.000000 
1 1 1 15  0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0  18 o 115.1131 6.167815 1147.823       120.4481 1147.823       120.4481 1147.823       120.4481 115.1131 6.167815 115.1131 6.167815 0.000000       0.000000 
1 1 1 15  0  19 o 98.71005 6.815571 850.8646       113.6279 850.8646       113.6279 850.8646       113.6279 98.71005 6.815571 98.71005 6.815571 0.000000       0.000000 
1 1 1 15  0  20 o 23.86721 13.16441 70.77945       78.02235 70.77945       78.02235 70.77945       78.02235 23.86721 13.16441 23.86721 13.16441 0.000000       0.000000 
1 1 1 15  0  21 o 154.5118 6.084837 2067.896       159.9853 2067.896       159.9853 2067.896       159.9853 154.5118 6.084837 154.5118 6.084837 0.000000       0.000000 
1 1 1 15  0  22 o 18.22000 11.85072 -0.8573012     88.76107 -0.8573012     88.76107 -0.8573012     88.76107 18.22000 11.85072 18.22000 11.85072 0.000000       0.000000 
1 1 1 15  0  23 o 29.49639 15.12634 118.2285       96.77303 118.2285       96.77303 118.2285       96.77303 29.49639 15.12634 29.49639 15.12634 0.000000       0.000000 
1 1 1 15  1  0  f 85.70898 5.410429 630.4356       78.78168 668.5534       108.5512 588.0135       114.5163 88.09725 7.280810 82.46939 8.241906 5.627861       10.99724 
1 1 1 15  1  1  o 533.1392 11.89961 24416.28       1083.366 23117.79       2927.978 24622.24       1166.126 506.9519 34.01918 535.1412 12.76072 -28.18930      36.33374 
1 1 1 15  1  2  o 329.3528 6.070387 9278.247       341.4127 8042.899       1138.895 9400.224       357.8712 302.5874 22.19584 331.4857 6.322081 -28.89838      23.07864 
1 1 1 15  1  3  o 199.6726 4.986052 3408.761       170.0111 3674.638       236.6196 3125.032       244.4347 207.2016 6.687376 191.0197 7.493464 16.18185       10.04356 
1 1 1 15  1  4  o 159.2439 4.709589 2168.165       128.0701 2146.629       169.3851 2196.908       195.6853 158.3678 6.263347 160.1526 7.155206 -1.784897      9.509284 
1 1 1 15  1  5  o 155.1856 4.016417 2058.619       106.4369 2046.771       175.9070 2065.462       133.6863 154.5821 6.663798 155.3919 5.037983 -0.8097534     8.353889 
1 1 1 15  1  6  o 93.77515 3.665490 751.6735       58.69779 772.1772       82.45325 730.6053       83.58065 94.85909 5.108941 92.24177 5.328806 2.617325       7.382239 
1 1 1 15  1  7  o 107.2200 3.790730 982.8904       69.40657 1015.018       94.44304 945.1627       102.3437 108.9004 5.078538 104.8965 5.735178 4.003906       7.660537 
1 1 1 15  1  8  o 51.37680 5.042667 228.1188       43.67126 251.5532       61.04532 203.5532       62.50141 53.72953 6.805892 48.05703 7.889965 5.672501       10.41978 
1 1 1 15  1  9  o 103.3994 3.631192 914.2416       64.11639 990.5551       91.26270 839.8651       90.09708 107.5579 4.968774 98.87326 5.356151 8.684593       7.305962 
1 1 1 15  1  10 o 195.5255 3.708397 3269.786       123.8202 3366.270       182.6036 3187.664       168.4660 198.2009 5.395130 192.9064 5.114036 5.294449       7.433760 
1 1 1 15  1  11 f 145.2888 3.680270 1805.592       91.30905 1878.893       134.9491 1743.698       124.0050 148.0616 5.337350 142.6597 5.090213 5.401886       7.375471 
1 1 1 15  1  12 o 68.20054 16.05459 427.2189       183.8745 591.0356       256.0781 252.8631       264.1870 79.67298 19.07478 57.13414 20.83882 22.53884       28.25073 
1 1 1 15  1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1  14 o 290.8474 4.672695 7247.127       232.0783 7246.330       330.0607 7247.907       326.3867 290.3289 6.657353 290.3828 6.582028 -0.5383301E-01 9.361807 
1 1 1 15  1  15 o 124.9781 6.103047 1342.332       130.2514 1431.218       165.8608 1199.317       210.3856 128.6063 7.585893 116.9069 10.65541 11.69942       13.07989 
1 1 1 15  1  16 o 180.0549 4.029596 2777.889       123.8992 2756.270       173.7431 2800.260       176.7349 179.0412 5.682675 180.4525 5.735317 -1.411346      8.073826 
1 1 1 15  1  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1  18 o 48.31799 9.772353 212.2181       77.86202 324.6563       175.3225 184.5933       86.90215 58.25585 16.73754 44.74486 11.35452 13.51099       20.22548 
1 1 1 15  1  19 o 62.36882 6.410554 340.6433       67.30379 292.0966       109.8154 369.8489       85.17581 56.08324 11.83819 64.61898 7.882236 -8.535744      14.22225 
1 1 1 15  1  20 f 27.83218 9.888732 61.06982       59.03381 81.93327       101.9159 50.53513       72.42020 33.84179 12.82620 28.00772 10.76481 5.834064       16.74493 
1 1 1 15  1  21 o 95.21968 4.965792 786.4703       80.46555 795.7062       114.0513 777.3169       113.5413 95.02056 7.079588 93.88711 7.135230 1.133453       10.05147 
1 1 1 15  1  22 o 60.99840 7.095469 331.5805       72.52872 253.8986       109.6363 392.0328       96.71651 51.11919 12.63231 65.67910 8.848442 -14.55991      15.42304 
1 1 1 15  1  23 o 92.65079 4.977391 747.8055       78.46190 689.5242       117.6681 794.4661       105.2854 87.61671 7.951064 94.83208 6.541465 -7.215378      10.29612 
1 1 1 15  2  0  o 209.3669 5.208308 3746.881       186.2115 3464.344       555.0430 3782.715       197.6676 199.6782 16.42333 210.3521 5.502838 -10.67392      17.32071 
1 1 1 15  2  1  o 216.3910 4.802852 4002.240       177.4763 3362.533       543.6407 4078.550       187.7636 196.6111 16.34010 218.4330 5.033745 -21.82193      17.09788 
1 1 1 15  2  2  o 271.9021 4.801202 6319.832       222.9279 6497.200       369.6085 6218.413       279.4876 275.4207 7.858566 269.6172 6.070341 5.803589       9.930061 
1 1 1 15  2  3  o 238.6306 4.296803 4867.229       175.0949 4797.743       291.3340 4906.522       219.0765 236.6951 7.207755 239.5220 5.356098 -2.826935      8.979951 
1 1 1 15  2  4  o 256.6858 5.970865 5638.687       261.7225 5338.314       353.4753 6003.195       389.3885 249.4879 8.296742 264.5221 8.620236 -15.03419      11.96430 
1 1 1 15  2  5  o 188.7827 4.181203 3046.944       134.7924 2683.408       220.9005 3262.599       170.1384 176.9253 7.311475 195.2869 5.101846 -18.36160      8.915520 
1 1 1 15  2  6  f 146.1228 3.738581 1825.275       93.28819 1787.557       150.8631 1848.627       118.7035 144.4602 6.115514 147.0017 4.728672 -2.541519      7.730450 
1 1 1 15  2  7  o 146.5348 3.760519 1835.865       94.10019 1657.547       154.3390 1941.371       118.7184 139.0500 6.499843 150.6351 4.615191 -11.58513      7.971696 
1 1 1 15  2  8  o 187.0294 3.938043 2991.537       125.7744 3033.024       209.9032 2968.297       157.1006 188.0553 6.536292 186.2152 4.940386 1.840103       8.193322 
1 1 1 15  2  9  o 181.6017 3.623443 2820.170       112.3682 2835.889       166.9952 2807.164       151.9003 181.9404 5.374929 181.0666 4.912679 0.8738251      7.281777 
1 1 1 15  2  10 f 247.9237 4.141716 5259.558       175.3478 5350.556       258.0019 5181.443       239.0407 249.7530 6.049370 245.8390 5.694022 3.914047       8.307633 
1 1 1 15  2  11 o 161.1408 3.667125 2221.123       100.9098 2131.257       146.5221 2302.204       139.1770 157.6753 5.441738 163.9309 4.971695 -6.255630      7.370906 
1 1 1 15  2  12 o 150.6266 12.95410 1997.032       329.9626 2041.833       458.4880 1948.897       475.2379 150.1722 18.25411 146.0805 19.54062 4.091766       26.74039 
1 1 1 15  2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2  14 o 41.29041 8.864958 152.8768       60.63914 141.7471       78.13939 169.7278       96.14790 39.78130 11.08770 43.49937 12.36134 -3.718071      16.60542 
1 1 1 15  2  15 o 110.3682 4.380832 1043.671       82.56620 1074.556       123.2252 1018.508       111.2269 111.5735 6.495605 108.7004 6.015476 2.873138       8.853182 
1 1 1 15  2  16 o 147.8015 4.025088 1872.057       101.5912 1733.713       150.8564 1986.861       137.4246 141.8750 6.226671 152.0639 5.292202 -10.18886      8.171831 
1 1 1 15  2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2  18 o 43.58905 8.681924 171.7106       62.35389 241.1972       94.46909 118.0682       83.00287 51.21352 11.12063 36.62228 11.72983 14.59125       16.16345 
1 1 1 15  2  19 f 50.39661 8.270143 227.9115       68.70361 158.2985       96.37627 299.8406       97.96640 41.49507 12.54003 57.28873 10.39687 -15.79366      16.28948 
1 1 1 15  2  20 o 42.87746 8.340928 166.9942       58.87402 188.8086       93.91602 152.8719       75.56512 44.79019 12.02562 40.54007 10.74281 4.250118       16.12524 
1 1 1 15  2  21 o 39.75113 10.17234 147.8763       69.33762 122.3200       102.5747 169.3797       94.09018 37.36959 13.05597 42.23172 12.29876 -4.862133      17.93649 
1 1 1 15  2  22 o 60.63980 7.193101 328.2155       73.03384 288.3671       123.2726 349.7673       90.65755 54.15686 13.40208 61.98341 8.813200 -7.826553      16.04021 
1 1 1 15  2  23 o 115.1477 4.565629 1149.094       89.77551 1160.868       132.9756 1139.233       121.6963 114.5092 6.831434 113.7415 6.289949 0.7677536      9.286116 
1 1 1 15  3  0  o 148.5503 6.110908 1887.303       155.0176 1666.040       356.8913 1938.755       172.1000 138.1319 15.39177 150.5365 6.694793 -12.40457      16.78472 
1 1 1 15  3  1  o 189.3012 3.988269 3062.106       128.9257 2769.439       201.4994 3264.967       167.7596 179.9071 6.558789 195.4259 5.026935 -15.51881      8.263643 
1 1 1 15  3  2  o 306.8730 5.521790 8054.104       289.3614 8093.862       489.4383 8032.740       358.7791 307.1527 9.331289 306.3266 6.858679 0.8261108      11.58078 
1 1 1 15  3  3  o 369.5883 5.915898 11688.09       373.3712 11882.70       625.6600 11580.45       465.3081 371.9440 9.850513 367.6574 7.411318 4.286621       12.32722 
1 1 1 15  3  4  o 251.5405 5.476563 5413.797       235.2436 5227.843       327.8955 5611.026       337.6901 246.9190 7.776409 255.8145 7.730207 -8.895569      10.96488 
1 1 1 15  3  5  o 165.4434 4.487139 2340.851       126.7713 2248.122       175.9602 2440.928       182.7985 162.0012 6.360545 168.8068 6.341336 -6.805634      8.981596 
1 1 1 15  3  6  o 101.1543 4.019246 874.9429       69.42738 824.5615       109.4708 908.8425       89.79677 97.85857 6.589205 103.0489 5.102879 -5.190361      8.334086 
1 1 1 15  3  7  o 207.2785 4.415987 3675.578       156.3091 3732.165       261.7501 3644.213       194.8710 208.5094 7.351217 206.2782 5.532125 2.231262       9.200261 
1 1 1 15  3  8  o 161.4911 3.958683 2230.575       109.1695 2296.492       180.7235 2192.702       136.9873 163.6253 6.467885 160.0313 5.012719 3.593979       8.182962 
1 1 1 15  3  9  f 140.1302 3.976423 1679.804       95.15382 1602.694       153.5955 1727.830       121.2167 136.6512 6.582081 142.0413 4.997418 -5.390137      8.264258 
1 1 1 15  3  10 o 188.1903 4.292399 3031.107       137.9429 2886.403       226.5037 3116.417       173.9149 183.2418 7.238504 190.6960 5.340642 -7.454178      8.995465 
1 1 1 15  3  11 o 145.1528 3.724629 1802.429       92.32312 1912.704       134.1995 1703.343       127.2099 149.3845 5.260699 140.9695 5.284377 8.414978       7.456514 
1 1 1 15  3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  3  13 o 125.1049 3.982976 1339.487       85.09106 1320.312       134.7642 1352.200       109.7310 123.8154 6.395632 125.6017 5.116016 -1.786293      8.190100 
1 1 1 15  3  14 o 158.9660 3.897351 2162.879       105.7976 2373.393       156.3605 1985.118       143.6830 166.3225 5.505213 152.1070 5.531641 14.21548       7.804257 
1 1 1 15  3  15 o 144.4056 3.882555 1785.623       95.74226 1784.123       146.2011 1786.750       126.6861 144.0673 5.942694 144.2951 5.141329 -0.2277527     7.858046 
1 1 1 15  3  16 o 121.3408 4.207907 1262.523       87.19164 1171.438       135.0757 1327.586       114.1612 116.2834 6.832348 124.2602 5.380029 -7.976830      8.696303 
1 1 1 15  3  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  3  18 o 17.49430 7.969079 -31.61095      52.46153 -48.36206      104.7086 -25.99669      60.61879 25.20045 11.39164 19.50693 8.755930 5.693521       14.36788 
1 1 1 15  3  19 o 90.87701 4.749132 713.4265       73.44456 529.1238       116.4609 835.1235       94.63556 76.99717 9.028739 98.10810 5.672897 -21.11093      10.66302 
1 1 1 15  3  20 o 78.06155 5.291671 529.5173       70.12274 555.7466       110.6088 511.8908       90.67320 78.99639 8.324697 76.23524 7.044670 2.761154       10.90541 
1 1 1 15  3  21 o 23.28024 10.18888 -8.966059      77.13155 166.5489       224.6388 -32.42392      82.12434 46.26914 18.59254 22.48409 10.13302 23.78505       21.17453 
1 1 1 15  3  22 o 86.44881 5.381095 652.2880       79.04468 759.2305       133.7472 594.8851       97.98873 91.78531 8.634653 81.89175 7.076560 9.893555       11.16400 
1 1 1 15  3  23 o 86.91404 5.534883 662.2475       81.72106 634.8176       125.8801 682.2296       107.4401 83.34962 8.986163 87.41277 7.263416 -4.063148      11.55458 
1 1 1 15  4  0  o 253.3115 5.074036 5485.899       219.4878 5644.869       311.9467 5330.038       308.8813 256.7941 7.113664 249.5181 7.249162 7.276077       10.15650 
1 1 1 15  4  1  o 113.4400 4.840689 1100.193       93.77249 1083.214       114.5214 1134.738       163.3525 112.3637 5.990031 114.7545 8.394177 -2.390839      10.31226 
1 1 1 15  4  2  o 178.0678 4.145745 2710.193       126.0637 2589.715       191.6601 2802.060       167.3619 173.9347 6.452730 180.9934 5.414920 -7.058655      8.423721 
1 1 1 15  4  3  o 242.5544 4.541849 5030.462       188.1238 5014.278       307.5131 5040.142       237.8170 241.8741 7.445131 242.6848 5.738500 -0.8107147     9.400019 
1 1 1 15  4  4  o 100.4719 4.027932 863.0032       69.10808 998.4551       109.5229 773.3957       89.08096 107.8236 5.971548 94.90041 5.520718 12.92316       8.132509 
1 1 1 15  4  5  o 76.42671 4.912977 501.8426       63.77999 471.8995       82.68725 545.8267       100.2163 73.90701 6.621866 79.41193 7.478184 -5.504921      9.988611 
1 1 1 15  4  6  f 313.1977 6.195946 8406.755       331.3814 8219.785       467.3305 8595.842       469.9688 309.0966 8.853766 316.1278 8.705714 -7.031250      12.41687 
1 1 1 15  4  7  o 159.9395 3.956543 2187.758       108.0621 2236.722       175.1842 2157.685       137.2946 161.5096 6.351769 158.7529 5.064424 2.756744       8.123630 
1 1 1 15  4  8  o 264.7563 4.641216 6000.103       209.8360 5649.345       348.3637 6199.832       262.8753 256.2758 7.960192 268.9505 5.723680 -12.67477      9.804344 
1 1 1 15  4  9  o 116.2276 3.769680 1155.506       74.81966 1032.908       117.7645 1238.488       96.88676 109.5308 6.323055 120.2675 4.717524 -10.73678      7.888984 
1 1 1 15  4  10 o 222.6267 4.427476 4243.025       168.3199 4501.005       279.8830 4096.854       210.6756 228.8063 7.163192 218.5779 5.644249 10.22841       9.119698 
1 1 1 15  4  11 o 61.64511 16.50351 348.7537       177.1815 431.8304       224.6113 211.8981       288.2858 68.29630 18.70747 56.03149 21.49145 12.26481       28.49302 
1 1 1 15  4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  4  13 o 210.0819 4.539148 3780.375       162.8415 3898.455       279.7881 3719.886       200.2535 212.7017 7.702938 208.2155 5.632030 4.486160       9.542275 
1 1 1 15  4  14 o 164.6099 4.232378 2320.604       118.9714 2391.049       203.1338 2283.823       146.7799 166.6249 7.139050 163.1646 5.267915 3.460266       8.872258 
1 1 1 15  4  15 o 165.8604 4.007541 2356.718       113.5070 2247.645       170.0838 2444.304       152.4124 161.6095 6.163028 168.7056 5.290405 -7.096130      8.122272 
1 1 1 15  4  16 o 156.3438 3.990021 2095.774       106.5265 2097.697       162.5968 2094.327       141.0028 155.9810 6.104335 156.0436 5.291512 -0.6265259E-01 8.078552 
1 1 1 15  4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  4  18 o 123.4078 4.320061 1309.160       91.04046 1259.410       138.6936 1346.826       120.6792 120.2675 6.780807 124.8696 5.659442 -4.602066      8.832249 
1 1 1 15  4  19 o 86.39251 5.148039 646.5856       75.60397 657.4776       114.4994 638.1657       100.6708 86.30972 7.854529 85.31818 6.970608 0.9915466      10.50157 
1 1 1 15  4  20 o 39.19885 9.232479 141.9857       60.78154 67.40862       99.03753 187.0488       76.98525 32.14241 12.52317 44.79872 10.28115 -12.65631      16.20283 
1 1 1 15  4  21 o 26.12428 9.934502 46.81237       61.27097 -53.15719      102.3629 102.6269       76.48609 24.19930 11.06527 33.88986 11.28733 -9.690561      15.80645 
1 1 1 15  4  22 o 57.06868 11.01708 308.4485       103.4775 137.8033       251.8252 343.1148       113.5025 45.29015 19.08192 60.02443 11.49181 -14.73428      22.27513 
1 1 1 15  4  23 o 28.21984 9.793026 68.19134       57.66406 -29.27924      110.5238 104.6469       67.59292 26.19326 11.78453 33.51095 10.56951 -7.317694      15.83003 
1 1 1 15  5  0  o 54.44416 6.803356 257.7020       61.87157 208.0780       80.33118 330.0695       97.00856 48.33630 10.05946 61.28960 9.582545 -12.95330      13.89309 
1 1 1 15  5  1  o 327.8627 6.134249 9200.188       343.4435 8856.854       491.0600 9528.937       480.5166 321.2531 8.951283 333.3127 8.442182 -12.05954      12.30430 
1 1 1 15  5  2  o 231.4535 5.231795 4582.900       206.7837 4569.432       294.9060 4595.928       290.0277 230.8801 7.479891 231.5661 7.334367 -0.6860352     10.47577 
1 1 1 15  5  3  o 62.13780 5.882582 333.5132       61.67721 394.0596       92.06692 284.2170       83.07413 67.26882 8.183298 56.85916 8.843233 10.40966       12.04862 
1 1 1 15  5  4  o 146.8904 3.948698 1844.835       99.04882 1868.415       160.6557 1830.376       125.8030 147.6633 6.371210 146.2505 5.037229 1.412720       8.121944 
1 1 1 15  5  5  o 78.84155 5.034335 534.1962       67.42587 433.5751       92.31567 649.2505       98.71481 70.63229 7.782867 86.75426 6.715620 -16.12197      10.27972 
1 1 1 15  5  6  o 82.14881 4.883482 579.6720       68.19821 528.4760       92.18922 641.5538       101.3546 78.16731 6.979843 86.18920 6.945284 -8.021889      9.846582 
1 1 1 15  5  7  o 150.5854 4.298789 1940.269       110.5429 1839.113       153.2430 2050.011       159.6142 146.4470 6.127708 154.6249 6.044915 -8.177917      8.607543 
1 1 1 15  5  8  o 334.8269 5.534794 9608.539       316.4636 9790.406       529.7010 9507.595       394.6349 336.8571 9.208381 332.7021 6.946052 4.154968       11.53438 
1 1 1 15  5  9  o 41.88624 6.553298 154.2134       45.33767 110.6050       67.61846 189.8298       61.10889 35.44966 10.45550 46.30706 8.018166 -10.85741      13.17606 
1 1 1 15  5  10 o 135.3708 4.554271 1569.256       105.2800 1605.595       146.5863 1530.540       151.3024 136.7494 6.277200 133.4711 6.638297 3.278244       9.136204 
1 1 1 15  5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  5  12 o 205.0963 4.572897 3602.815       160.1589 3817.775       271.8962 3488.600       198.1918 210.5583 7.561863 201.6358 5.755938 8.922470       9.503294 
1 1 1 15  5  13 o 66.54482 5.262592 382.1182       59.31409 512.0553       94.26325 296.9486       76.31647 76.77994 7.276253 58.16874 7.886253 18.61119       10.73018 
1 1 1 15  5  14 o 185.0978 4.387104 2935.952       138.6695 2742.180       233.0525 3042.156       172.5356 178.2265 7.657368 188.2467 5.367220 -10.02026      9.351061 
1 1 1 15  5  15 o 104.1230 4.588697 930.2490       81.59023 1140.260       135.8821 811.8413       102.0307 114.7081 6.969944 96.88274 6.199635 17.82536       9.328215 
1 1 1 15  5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  5  17 f 134.1920 4.254734 1546.702       97.49915 1511.267       167.2823 1564.932       119.9863 131.6352 7.472566 134.7804 5.213185 -3.145157      9.111341 
1 1 1 15  5  18 o 114.9483 4.299345 1136.280       84.39307 1185.183       145.1888 1111.327       103.7133 116.3871 7.342748 113.4567 5.353064 2.930351       9.086871 
1 1 1 15  5  19 o 33.41173 9.849866 101.4403       60.02402 210.0784       95.48254 30.45599       77.18170 47.24229 11.85477 26.62858 10.82761 20.61371       16.05530 
1 1 1 15  5  20 o 18.97088 8.545863 -25.36824      58.33603 119.3060       101.5080 -96.71381      71.28334 37.03818 12.98522 17.34039 8.322065 19.69779       15.42312 
1 1 1 15  5  21 o 132.8814 4.394847 1526.001       99.72631 1574.717       155.8036 1492.191       129.7995 133.6837 6.847899 130.8139 5.810546 2.869781       8.980878 
1 1 1 15  5  22 o 77.43591 5.973776 527.8380       78.38337 264.1054       145.0539 636.6113       93.15551 50.70992 15.39766 84.86548 6.476904 -34.15556      16.70444 
1 1 1 15  6  0  o 298.9692 6.287148 7652.722       320.9830 8055.725       462.5928 7278.528       445.7523 306.3300 8.843158 291.1565 8.965310 15.17358       12.59278 
1 1 1 15  6  1  o 127.9253 4.807282 1399.741       105.0166 1484.248       149.4133 1317.235       147.6344 131.4553 6.677874 123.7789 7.013384 7.676361       9.684088 
1 1 1 15  6  2  o 372.3052 7.300919 11887.74       464.1715 11860.96       669.7166 11912.49       643.9185 370.9852 10.57140 371.9282 10.13841 -0.9430237     14.64725 
1 1 1 15  6  3  o 90.32636 4.768632 700.0190       73.29402 723.4890       99.35706 671.9998       108.5601 91.65955 6.387669 88.20588 7.272092 3.453667       9.679134 
1 1 1 15  6  4  o 356.0260 5.997384 10861.39       364.6242 10710.07       625.4753 10939.28       448.7659 352.2810 10.39726 356.9783 7.361667 -4.697327      12.73959 
1 1 1 15  6  5  o 127.9336 4.094200 1399.963       89.44490 1297.766       142.3368 1466.657       114.9843 122.7953 6.814634 130.8779 5.144823 -8.082603      8.538644 
1 1 1 15  6  6  o 185.0392 4.732088 2931.074       149.5266 2822.085       209.7220 3043.757       213.2471 181.3200 6.773239 188.3273 6.630827 -7.007385      9.478642 
1 1 1 15  6  7  o 63.34521 5.672418 346.7022       60.71007 366.4767       78.54738 317.3611       95.67942 64.91348 7.207582 59.88276 9.687347 5.030724       12.07452 
1 1 1 15  6  8  o 72.49747 5.073722 452.4801       62.41729 390.8688       84.16307 527.7844       93.04673 67.00375 7.483469 78.05132 7.057358 -11.04757      10.28633 
1 1 1 15  6  9  o 168.6212 4.187242 2433.724       120.5708 2668.570       198.5364 2296.500       151.7618 176.2471 6.596541 163.6606 5.430207 12.58646       8.544091 
1 1 1 15  6  10 o 63.96378 25.01027 271.8941       396.0932 0.000000       0.000000 271.8941       396.0932 ?        ?        63.96378 25.01027 0.000000       25.01027 
1 1 1 15  6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  6  12 o 200.2172 4.513322 3433.879       154.3120 3502.214       261.8490 3397.519       191.0033 201.5992 7.606068 198.9767 5.621301 2.622498       9.457870 
1 1 1 15  6  13 o 36.24377 8.283352 117.9722       50.14801 62.78341       78.26643 156.4095       65.31709 30.38027 11.29694 41.67180 9.402269 -11.29153      14.69773 
1 1 1 15  6  14 f 137.6867 4.396541 1625.382       103.3725 1972.758       182.1221 1460.276       125.5581 151.1967 7.053724 130.3323 5.641450 20.86443       9.032220 
1 1 1 15  6  15 o 144.0566 4.332457 1780.793       106.5784 1554.330       179.1123 1904.930       132.6100 133.5945 7.886140 148.8256 5.217911 -15.23108      9.456099 
1 1 1 15  6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  6  17 o 63.10986 5.792471 347.0094       61.72896 456.9635       102.8337 285.0701       77.18144 71.73701 8.563678 56.54063 8.235654 15.19638       11.88119 
1 1 1 15  6  18 o 38.21671 8.239358 132.9018       52.18827 61.54470       89.80876 169.2832       64.12682 30.94237 11.96161 43.04926 9.012208 -12.10689      14.97665 
1 1 1 15  6  19 o 53.07816 6.718922 249.5854       59.53627 210.9178       97.00539 272.9526       75.40946 47.15207 12.01333 55.05954 8.276361 -7.907467      14.58829 
1 1 1 15  6  20 o 63.63853 6.111214 356.4996       65.59574 302.8284       103.6111 392.4013       84.74098 56.70117 11.09801 66.26161 7.628345 -9.560444      13.46691 
1 1 1 15  6  21 o 23.08592 9.526840 19.28702       60.86532 -160.4701      114.6755 89.78618       71.81569 21.41980 10.34904 32.00494 10.93701 -10.58514      15.05725 
1 1 1 15  6  22 o 36.04593 10.75385 123.4455       71.21327 -0.5418881     146.3734 161.8940       81.51043 31.42933 13.88542 40.88493 11.29869 -9.455595      17.90154 
1 1 1 15  7  0  o 311.7254 6.336699 8325.195       337.3161 7936.714       486.0153 8686.241       468.5387 303.7538 9.369714 317.9518 8.629434 -14.19800      12.73808 
1 1 1 15  7  1  o 226.4835 5.013726 4389.776       193.9095 4558.948       277.3129 4227.926       271.2466 230.5491 7.043763 222.0054 7.154821 8.543655       10.04022 
1 1 1 15  7  2  o 260.8121 5.667471 5826.344       252.4172 5846.795       363.8744 5807.374       350.4477 260.8275 8.169514 260.0030 7.893014 0.8244324      11.35960 
1 1 1 15  7  3  o 137.9866 4.553241 1629.236       107.2901 1580.294       153.3437 1676.172       150.1684 135.7357 6.615609 139.8233 6.289225 -4.087585      9.128014 
1 1 1 15  7  4  o 136.5291 4.593773 1595.269       107.1018 1655.197       150.1903 1533.262       152.7724 138.9247 6.330825 133.5058 6.722592 5.418930       9.234316 
1 1 1 15  7  5  o 31.87698 8.471590 90.58692       46.90359 111.2193       64.14593 66.88141       68.75730 35.43993 10.10564 29.95654 10.66904 5.483387       14.69532 
1 1 1 15  7  6  o 41.50609 7.725549 152.8999       52.74235 130.3192       72.32803 178.5427       77.07608 38.24032 10.67071 44.55305 10.33149 -6.312729      14.85273 
1 1 1 15  7  7  o 90.31069 4.935494 700.7433       75.82705 677.7355       107.2414 723.7462       107.2299 88.50400 7.156999 91.51707 6.912371 -3.013077      9.950050 
1 1 1 15  7  8  o 139.6523 4.852252 1670.816       115.7160 1593.087       165.6013 1744.983       161.7604 135.9121 7.160423 142.5086 6.647056 -6.596451      9.770108 
1 1 1 15  7  9  o 125.9892 17.31691 1438.296       362.7174 1316.966       514.5054 1558.179       511.4281 116.3018 26.49734 127.9228 24.30032 -11.62106      35.95295 
1 1 1 15  7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  7  11 o 104.5855 4.473902 936.9174       79.90237 851.8430       126.9839 992.6790       102.8057 99.15193 7.556626 107.4086 5.624568 -8.256668      9.420104 
1 1 1 15  7  12 o 171.2453 4.373656 2512.058       127.8985 2534.145       213.2304 2499.646       159.8451 171.5013 7.280809 170.6623 5.484788 0.8390198      9.115541 
1 1 1 15  7  13 o 185.2095 4.479182 2940.877       141.6654 3062.484       240.6839 2876.414       175.2357 188.3117 7.484585 182.9562 5.608848 5.355545       9.352977 
1 1 1 15  7  14 o 49.26031 6.865561 213.5522       56.18310 260.9034       96.14747 189.0004       69.23306 53.57532 10.88060 45.78784 9.174126 7.787483       14.23208 
1 1 1 15  7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  7  16 o 66.55074 5.942863 385.7024       66.82784 336.0439       105.0981 419.4083       86.58663 60.81548 10.49948 69.04575 7.462337 -8.230270      12.88121 
1 1 1 15  7  17 o 176.6680 4.454848 2686.293       134.3980 2671.085       228.6346 2694.323       166.1315 174.8138 7.658863 176.5605 5.510063 -1.746674      9.434987 
1 1 1 15  7  18 o 71.31349 5.464523 442.7178       66.04030 435.8812       108.8392 446.7015       83.08231 69.48042 9.415758 71.22990 6.917612 -1.749489      11.68374 
1 1 1 15  7  19 o 65.58177 5.769777 376.7791       63.95892 521.9651       105.5184 292.4564       80.41525 76.36625 8.220962 56.82210 8.552492 19.54415       11.86294 
1 1 1 15  7  20 o 15.67687 7.434126 -60.78493      53.43531 -135.6332      101.3661 -31.98117      62.88199 20.46675 9.848637 19.27195 8.757889 1.194798       13.17939 
1 1 1 15  7  21 o 38.54258 9.883501 140.6706       65.36099 110.1252       111.3879 156.7110       80.71838 36.16902 13.47153 40.36433 11.27593 -4.195316      17.56783 
1 1 1 15  8  0  o 76.82285 5.051280 507.3927       65.89699 552.1016       87.91345 450.0615       99.55296 79.97987 6.492887 71.88922 8.259409 8.090652       10.50597 
1 1 1 15  8  1  o 161.2720 4.658275 2225.847       128.2880 2266.428       183.1800 2186.784       179.7226 162.5463 6.599315 159.6656 6.591578 2.880692       9.327372 
1 1 1 15  8  2  o 112.6790 4.526413 1086.556       87.09618 1009.347       123.1959 1163.705       123.1493 108.2507 6.697338 116.3285 6.221863 -8.077843      9.141439 
1 1 1 15  8  3  f 192.4590 5.048048 3172.216       165.9066 3007.043       238.1500 3327.966       231.2565 187.0479 7.455827 196.8724 6.878713 -9.824509      10.14426 
1 1 1 15  8  4  o 100.6925 4.491205 867.9051       77.22567 815.0501       108.8913 921.3906       109.5388 97.21481 6.598389 103.4424 6.230151 -6.227562      9.074883 
1 1 1 15  8  5  o 41.51160 7.516901 152.7370       51.32380 85.97968       72.24709 220.7497       72.92327 32.53859 10.97054 49.85788 8.891120 -17.31928      14.12107 
1 1 1 15  8  6  o 121.2001 4.826987 1258.329       99.90355 1247.869       146.2249 1267.486       136.8140 120.2532 7.152974 121.2876 6.630716 -1.034447      9.753534 
1 1 1 15  8  7  o 51.25246 6.812357 229.7022       58.14594 246.9550       80.47548 210.8576       84.10617 52.69837 9.281665 48.40048 10.47959 4.297894       13.99897 
1 1 1 15  8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  8  10 o 111.6857 4.510442 1068.550       86.02377 1223.969       145.2629 984.6072       106.7563 119.0219 7.180662 106.9292 5.868936 12.09269       9.273959 
1 1 1 15  8  11 o 189.6662 4.482089 3082.130       145.1685 3032.932       241.8473 3109.840       181.5029 187.5533 7.551178 190.3359 5.584201 -2.782639      9.391677 
1 1 1 15  8  12 o 27.92597 9.808050 60.26048       57.92408 127.6395       89.35849 11.43050       76.07056 38.32333 12.15967 25.19528 10.54427 13.12805       16.09470 
1 1 1 15  8  13 f 97.38124 4.923859 816.6139       81.61507 917.8666       143.1744 767.8748       99.33466 102.5054 8.249146 94.18395 6.211075 8.321449       10.32598 
1 1 1 15  8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  8  15 o 138.4077 4.379782 1646.214       103.5177 1611.157       174.5656 1665.228       128.5613 135.8710 7.553494 138.9688 5.417403 -3.097824      9.295350 
1 1 1 15  8  16 o 59.04797 6.205374 305.3591       61.63525 383.7555       101.8105 260.0045       77.43826 65.32294 9.397451 53.75618 8.735711 11.56676       12.83062 
1 1 1 15  8  17 o 69.70614 5.475229 422.9169       64.64970 345.7966       122.1442 452.9301       76.19822 60.72879 12.20160 71.94574 6.264609 -11.21695      13.71584 
1 1 1 15  8  18 o 66.92983 5.919334 392.4985       66.95657 494.8899       121.8497 348.2074       80.14022 73.65598 9.941557 62.46209 7.674791 11.19389       12.55934 
1 1 1 15  8  19 o 19.27516 8.361291 -3.882425      50.96867 -40.57971      84.42142 17.16610       63.93616 22.28910 10.13616 23.37508 9.714669 -1.085972      14.03982 
1 1 1 15  8  20 o 109.3481 4.686270 1036.243       87.50655 969.1068       143.0874 1076.354       110.6001 103.9441 8.125834 110.8385 5.864224 -6.894386      10.02089 
1 1 1 15  8  21 o 110.8695 4.609614 1067.134       87.27277 1050.002       146.6995 1076.519       108.5761 107.9386 8.016080 110.7057 5.763229 -2.767097      9.872808 
1 1 1 15  9  0  o 189.3816 4.716231 3070.322       152.5228 3145.077       218.3661 2999.110       213.1290 191.4217 6.680242 186.9274 6.676787 4.494308       9.444846 
1 1 1 15  9  1  o 82.80698 5.036607 589.4657       70.88246 531.2524       98.32309 652.4586       102.2798 78.26398 7.446612 86.88237 6.951992 -8.618393      10.18736 
1 1 1 15  9  2  o 160.1204 4.501388 2194.860       123.0821 2075.022       176.0993 2309.314       172.0985 155.4489 6.633887 164.0566 6.143014 -8.607727      9.041299 
1 1 1 15  9  3  o 47.78454 6.072946 199.0356       48.43581 279.7432       67.47873 113.2576       69.56612 56.60613 7.139544 35.87401 10.61192 20.73212       12.79007 
1 1 1 15  9  4  o 119.4919 4.606236 1222.768       93.99110 1212.142       135.0545 1232.748       130.8903 118.5899 6.696362 119.6400 6.430208 -1.050125      9.283793 
1 1 1 15  9  5  o 118.4580 4.790023 1202.159       96.89556 1190.045       138.9380 1213.630       135.2005 117.4393 6.958989 118.6460 6.700436 -1.206772      9.660402 
1 1 1 15  9  6  o 200.2095 15.20675 3561.378       516.0189 3836.726       943.6529 3443.920       616.3313 198.6285 28.64915 194.9180 18.74782 3.710434       34.23820 
1 1 1 15  9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9  9  o 274.0298 6.298360 6454.049       294.7319 6194.269       413.2784 6722.913       420.4416 267.5249 9.046416 278.7954 8.831168 -11.27045      12.64228 
1 1 1 15  9  10 o 74.38255 5.762106 477.9865       72.61933 388.8547       111.3100 544.0376       95.82039 66.15470 10.17939 79.14788 7.167267 -12.99318      12.44949 
1 1 1 15  9  11 o 219.6026 4.756418 4137.007       178.3690 3824.602       307.4524 4295.500       218.9897 210.0452 8.571625 223.5316 5.736974 -13.48640      10.31434 
1 1 1 15  9  12 o 70.10022 5.788839 425.9240       68.67679 433.7599       109.2051 420.7976       88.32993 69.92340 9.382411 69.30637 7.587272 0.6170273      12.06633 
1 1 1 15  9  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  9  14 o 127.4514 4.382533 1395.935       95.38319 1302.004       160.5590 1447.165       118.5748 122.0277 7.745164 129.5627 5.359329 -7.534981      9.418597 
1 1 1 15  9  15 o 97.39194 4.663640 816.7771       77.56218 774.1539       129.7926 840.4531       96.73444 93.66528 8.197166 98.40764 5.781791 -4.742355      10.03108 
1 1 1 15  9  16 o 20.41387 8.099712 20.62157       42.09298 63.20514       84.34116 6.496553       48.57504 30.51570 11.64346 19.96116 8.393847 10.55453       14.35364 
1 1 1 15  9  17 o 77.45643 5.048297 521.1767       66.40854 511.9628       114.8208 525.8080       81.40527 75.34622 9.108889 77.46603 6.205845 -2.119804      11.02199 
1 1 1 15  9  18 o 53.09887 6.718903 250.9699       59.56031 245.8174       99.50800 253.8463       74.34938 50.66275 11.73272 52.77383 8.541951 -2.111080      14.51281 
1 1 1 15  9  19 o 32.44639 9.367320 97.64637       54.79509 -12.64355      91.57047 159.1673       68.39101 24.93642 11.00146 41.08563 9.871013 -16.14921      14.78070 
1 1 1 15  9  20 o 76.53656 5.389441 513.6936       69.98946 440.0186       115.2803 556.7036       88.08059 68.55648 10.15409 79.19483 6.572395 -10.63835      12.09553 
1 1 1 15  10 0  o 57.14872 5.549623 282.6490       53.47627 163.6331       76.50201 396.3707       74.78108 42.62166 10.56409 67.62194 6.558385 -25.00028      12.43432 
1 1 1 15  10 1  o 223.2471 4.547440 4268.016       173.3623 4301.869       254.0474 4238.512       237.1650 223.7557 6.648733 222.1829 6.250834 1.572769       9.125710 
1 1 1 15  10 2  o 18.38370 8.054541 -11.36327      48.31688 -28.05546      76.35889 -0.2172422     62.39689 22.34297 9.942077 22.06297 9.405542 0.2799988      13.68609 
1 1 1 15  10 3  o 191.8253 5.124900 3154.312       167.8778 3022.591       239.8742 3280.766       235.0300 187.3555 7.497479 195.2888 7.047643 -7.933365      10.28987 
1 1 1 15  10 4  f 97.23681 4.779788 810.1779       79.36723 807.8604       112.4553 812.4778       112.0304 96.67873 6.856029 96.96439 6.809006 -0.2856598     9.662696 
1 1 1 15  10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  10 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  10 7  o 118.7464 5.091616 1209.091       103.2472 1298.807       142.7675 1110.724       149.4915 122.6774 6.842206 113.2350 7.778141 9.442398       10.35931 
1 1 1 15  10 8  o 176.1264 5.470628 2662.320       164.5370 2534.465       217.9665 2831.688       250.8680 171.4702 7.443874 181.0848 8.112623 -9.614609      11.01026 
1 1 1 15  10 9  o 240.6165 6.006523 4977.230       246.8030 4697.982       339.7823 5289.099       359.0809 232.9606 8.541152 247.1961 8.506459 -14.23552      12.05451 
1 1 1 15  10 10 o 51.57027 9.157393 237.8110       77.69019 156.0729       98.76266 370.4933       125.8307 41.81935 12.70696 63.91802 11.96805 -22.09867      17.45569 
1 1 1 15  10 11 o 175.3014 4.496285 2637.946       134.5988 2799.363       226.6217 2549.971       167.3048 179.7738 7.381985 172.0766 5.693568 7.697159       9.322576 
1 1 1 15  10 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  10 13 o 84.49102 5.118444 617.2313       73.50160 615.4778       119.7995 618.2899       93.07950 83.46048 8.525357 84.23840 6.521375 -0.7779160     10.73359 
1 1 1 15  10 14 o 73.28867 5.331929 466.1717       66.27291 389.9038       109.3577 510.4398       83.31506 65.59336 10.08613 76.43111 6.443482 -10.83775      11.96864 
1 1 1 15  10 15 o 49.70872 7.128009 219.8373       58.77486 337.7343       96.72240 150.8166       74.00575 60.99760 9.603167 40.29244 10.60953 20.70516       14.31024 
1 1 1 15  10 16 o 98.89614 4.535658 844.0563       76.59873 926.0760       132.0159 802.4296       94.04878 102.3527 7.607476 95.94946 5.766732 6.403259       9.546145 
1 1 1 15  10 17 o 45.13921 7.423615 184.0557       55.23328 196.5121       95.38137 177.7714       67.74829 45.16894 12.11559 43.72306 9.356424 1.445881       15.30785 
1 1 1 15  10 18 o 26.32380 9.270348 56.82516       51.77106 90.59629       88.97910 39.54156       63.65496 33.10577 12.09088 25.50331 10.01062 7.602457       15.69719 
1 1 1 15  10 19 o 95.34466 4.897570 792.2869       79.47134 669.2018       137.1411 854.5162       97.51297 85.17771 9.595588 98.62189 5.815853 -13.44418      11.22049 
1 1 1 15  11 0  o 53.50267 6.253907 249.2018       56.06033 238.3255       79.17809 260.1350       79.38489 51.72191 9.306772 54.18005 8.888506 -2.458138      12.86940 
1 1 1 15  11 1  o 150.1639 4.480145 1931.516       114.8840 1898.324       183.3350 1952.977       147.4169 148.4864 7.230308 150.8430 5.722953 -2.356628      9.221147 
1 1 1 15  11 2  o 150.5724 12.61923 1998.839       321.4821 0.000000       0.000000 1998.839       321.4821 ?        ?        150.5724 12.61923 0.000000       12.61923 
1 1 1 15  11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  11 5  o 187.5937 5.315496 3018.968       170.2801 2952.671       238.5223 3087.874       243.1698 185.0802 7.546872 189.2758 7.523376 -4.195541      10.65629 
1 1 1 15  11 6  o 91.91000 5.349980 727.3206       83.60538 695.8727       114.5276 763.1991       122.3294 89.51864 7.562725 93.74814 7.709602 -4.229500      10.79967 
1 1 1 15  11 7  o 129.9202 5.242072 1448.517       116.3005 1287.659       153.1301 1667.777       178.7806 121.9747 7.386546 138.8274 7.569830 -16.85272      10.57655 
1 1 1 15  11 8  o 111.7080 5.682144 1075.424       108.0348 1067.699       143.7873 1085.437       163.7134 110.8922 7.639680 111.5522 8.662097 -0.6600266     11.54975 
1 1 1 15  11 9  o 133.7798 5.423217 1539.079       123.8938 1415.847       167.1573 1689.301       184.5565 127.6276 7.705849 139.4239 7.782637 -11.79636      10.95215 
1 1 1 15  11 10 o 208.3265 5.672113 3739.958       201.7861 3532.037       279.9590 3964.765       291.1046 201.4765 8.137070 213.5369 7.983150 -12.06038      11.39924 
1 1 1 15  11 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  11 12 o 44.89340 8.852460 182.6870       65.45361 66.38741       112.4371 242.3007       80.49963 33.68090 13.27768 51.69770 9.467334 -18.01680      16.30728 
1 1 1 15  11 13 o 133.6357 4.449378 1537.286       101.5368 1381.480       167.1313 1628.433       127.8321 125.3889 7.844889 137.2609 5.453698 -11.87202      9.554323 
1 1 1 15  11 14 o 33.49221 9.840779 102.1330       60.00164 144.5423       89.86479 68.01789       80.59957 39.58012 12.13979 30.60387 11.44747 8.976252       16.68590 
1 1 1 15  11 15 o 147.0999 4.409757 1866.858       110.7717 1652.674       183.3629 1989.947       139.0034 136.6527 7.891203 151.4927 5.373187 -14.83992      9.546844 
1 1 1 15  11 16 o 116.0002 4.483850 1163.387       88.82021 1057.471       149.3241 1221.378       110.4918 108.8143 8.093957 118.5009 5.460172 -9.686623      9.763484 
1 1 1 15  11 17 o 118.0796 4.479677 1206.880       90.32822 1220.870       153.8186 1199.516       111.5971 116.9684 7.744670 117.2836 5.572034 -0.3152008     9.540833 
1 1 1 15  11 18 o 52.11931 6.929525 244.1573       60.14557 174.4811       129.5454 263.3037       67.90833 42.33789 14.67908 53.89927 7.588058 -11.56139      16.52435 
1 1 1 15  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  12 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  12 3  o 271.1851 5.543430 6313.300       256.7121 6497.152       422.3690 6205.597       323.2755 273.8844 9.030727 268.4137 7.052875 5.470703       11.45849 
1 1 1 15  12 4  o 187.3697 5.381806 3013.428       172.1985 2939.063       243.4208 3087.921       243.6302 184.5296 7.724847 189.1928 7.540923 -4.663284      10.79531 
1 1 1 15  12 5  o 38.04888 9.077040 130.4983       58.15320 35.71870       77.21238 254.7350       88.40043 27.53278 10.95559 53.27198 10.08681 -25.73920      14.89190 
1 1 1 15  12 6  o 113.8312 5.348385 1113.099       103.9647 979.0401       134.6751 1310.814       163.5533 106.1979 7.473898 122.8628 7.836228 -16.66485      10.82893 
1 1 1 15  12 7  o 94.50507 5.998769 772.2146       96.30806 699.2014       126.4186 873.1948       148.6717 89.36521 8.381947 99.82906 8.811490 -10.46384      12.16139 
1 1 1 15  12 8  o 152.9524 5.360843 2013.579       140.0204 1797.332       190.5398 2267.456       206.4536 143.6674 7.795683 161.6990 7.476756 -18.03159      10.80160 
1 1 1 15  12 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  12 10 o 33.14953 11.56222 89.67117       80.42988 282.4087       94.39277 -421.1019      153.6631 55.68972 10.30527 20.44114 10.24637 35.24859       14.53226 
1 1 1 15  12 11 o 52.68731 7.321750 246.3115       64.09475 188.4193       97.18862 290.8697       85.26469 44.90627 12.30785 56.81122 9.095739 -11.90495      15.30411 
1 1 1 15  12 12 o 101.7589 4.805834 893.1237       83.51091 696.9404       131.7151 1025.001       107.9914 88.44371 8.839391 108.6019 5.844545 -20.15821      10.59686 
1 1 1 15  12 13 o 123.8791 4.644607 1324.098       98.25372 1181.979       166.8150 1399.591       121.5809 115.3440 8.529606 127.0603 5.603425 -11.71630      10.20551 
1 1 1 15  12 14 o 106.2049 4.939777 976.4051       89.58882 926.6536       138.2939 1012.382       117.6018 102.0629 7.998777 107.4544 6.438634 -5.391556      10.26822 
1 1 1 15  12 15 o 52.48737 6.919627 246.2856       60.50912 216.9526       99.08593 263.7299       76.41172 47.30059 12.19052 53.71886 8.621331 -6.418262      14.93105 
1 1 1 15  12 16 o 61.19044 6.291923 331.7336       64.80927 254.2676       111.7889 370.9521       79.54044 50.76034 12.87655 64.32404 7.374456 -13.56370      14.83874 
1 1 1 15  12 17 o 39.41314 8.922724 145.8734       58.65612 105.6926       110.7771 161.5278       69.14453 35.53217 13.39487 41.16487 9.947096 -5.632702      16.68434 
1 1 1 15  12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  13 0  o 165.2175 4.600810 2339.978       129.8052 2343.647       203.8301 2337.475       168.3587 164.8644 7.240015 164.9038 5.978649 -0.3935242E-01 9.389465 
1 1 1 15  13 1  o 165.0948 4.585492 2336.569       129.2770 2331.224       200.3259 2340.384       169.2327 164.4396 7.133925 164.9936 6.006414 -0.5539856     9.325765 
1 1 1 15  13 2  o 51.29007 7.020120 230.8639       59.87258 172.3146       81.35075 300.0588       88.43774 43.58047 10.94597 58.12278 9.217876 -14.54231      14.31026 
1 1 1 15  13 3  o 147.7726 4.701262 1873.144       118.6343 1899.947       181.0459 1852.975       157.0499 148.3777 7.145258 146.7115 6.268614 1.666260       9.505274 
1 1 1 15  13 4  o 110.0547 4.815602 1039.663       90.50259 1103.945       133.1495 984.4619       123.3872 112.8790 6.941205 106.6011 6.813710 6.277901       9.726611 
1 1 1 15  13 5  o 84.85666 5.970832 623.4028       85.96986 771.2508       119.1086 462.6158       124.2113 94.08649 7.474943 71.93548 10.41453 22.15101       12.81940 
1 1 1 15  13 6  o 26.27916 10.22755 39.31226       66.00064 -42.40784      85.36954 160.7294       104.0587 22.73994 10.28209 42.25079 13.08078 -19.51085      16.63815 
1 1 1 15  13 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  13 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  13 9  o 73.09009 6.268605 466.3099       77.48331 449.3611       109.7605 483.1464       109.3963 70.82504 9.300044 73.62453 8.880472 -2.799484      12.85899 
1 1 1 15  13 10 o 126.6189 4.601971 1381.400       99.50483 1383.692       159.1797 1379.931       127.4826 125.5989 7.455031 126.1790 5.916457 -0.5801620     9.517455 
1 1 1 15  13 11 o 37.66849 11.38847 130.5428       79.47599 148.4713       108.2054 109.5403       117.1146 40.46911 13.42277 37.27011 13.82694 3.198994       19.27057 
1 1 1 15  13 12 o 122.8416 4.660013 1303.336       97.75401 1097.637       153.1967 1444.612       126.9602 111.1786 8.125399 128.9373 5.766166 -17.75864      9.963472 
1 1 1 15  13 13 o 77.76273 5.730389 529.3458       75.55909 551.0046       114.3879 512.5801       100.6406 78.12057 8.723539 75.68638 7.903278 2.434189       11.77123 
1 1 1 15  13 14 o 63.87471 6.504410 361.8089       69.95782 271.8337       105.2544 433.0118       93.63280 53.01776 11.91575 69.28244 8.065051 -16.26468      14.38854 
1 1 1 15  13 15 o 32.30944 10.27935 95.92210       63.82600 80.92447       105.3771 104.6122       80.21368 33.22895 12.92575 34.01161 11.55912 -0.7826653     17.34037 
1 1 1 15  13 16 o 52.16023 8.214872 250.0645       70.75106 291.0093       137.4381 235.3019       82.52592 52.85394 14.69546 49.73219 10.06292 3.121750       17.81064 
1 1 1 15  14 0  o 135.2361 5.091889 1570.940       117.5908 1750.391       176.5253 1427.785       157.6653 142.1248 7.297976 128.3439 7.223182 13.78088       10.26815 
1 1 1 15  14 1  o 28.99400 10.45383 62.61976       66.20710 43.78862       81.31213 99.66354       114.0446 28.71069 11.29992 36.97128 13.65869 -8.260582      17.72704 
1 1 1 15  14 2  o 104.1923 4.985856 933.0535       88.71096 991.5197       142.3941 895.9675       113.4085 106.6084 7.877448 101.6512 6.568408 4.957191       10.25662 
1 1 1 15  14 3  o 86.18030 5.518835 642.3210       80.79223 688.1664       110.0831 588.7964       118.9458 88.79612 7.325187 81.72731 8.654434 7.068810       11.33832 
1 1 1 15  14 4  o 122.6181 4.990818 1294.002       104.5029 1337.057       154.6925 1257.858       141.7349 123.8645 7.346222 120.2619 6.930908 3.602631       10.09973 
1 1 1 15  14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  14 6  o 30.17816 14.49633 -272.7077      217.3773 0.000000       0.000000 -272.7077      217.3773 ?        ?        30.17816 14.49633 0.000000       14.49633 
1 1 1 15  14 7  o 58.68664 7.846592 306.2460       76.66723 254.7660       98.90797 383.7359       121.3486 52.35939 11.38641 64.54558 11.42769 -12.18619      16.13203 
1 1 1 15  14 8  o 202.1277 4.886439 3525.208       168.6632 3389.417       271.5903 3610.455       215.1881 196.4133 8.097322 203.9197 6.179555 -7.506424      10.18595 
1 1 1 15  14 9  o 80.81176 5.692874 568.9650       78.05905 631.0885       115.4598 516.6652       105.9381 84.29127 8.121842 76.13791 8.281529 8.153358       11.59949 
1 1 1 15  14 10 o 76.66338 6.162570 514.9453       79.99570 542.7228       112.2978 486.3277       113.9830 77.80937 8.595067 73.30937 9.315297 4.500000       12.67478 
1 1 1 15  14 11 o 37.84578 9.815287 134.0347       63.96978 183.2007       91.01917 86.04414       89.92462 43.74214 11.87856 32.89404 12.13334 10.84810       16.97994 
1 1 1 15  14 12 o 35.64574 10.91462 118.8677       72.67638 42.81081       91.46001 249.1667       119.7106 28.94870 11.78060 50.06376 13.63418 -21.11505      18.01869 
1 1 1 15  14 13 o 60.15652 8.791400 331.8996       87.64570 246.7408       116.7288 441.9579       132.7012 49.68011 13.43569 67.83099 11.88975 -18.15087      17.94112 
1 1 1 15  14 14 o 58.82166 9.700349 323.6028       94.04058 304.1588       117.7488 357.8492       156.2681 55.36544 12.72138 58.40765 15.43493 -3.042210      20.00177 
1 1 1 15  14 15 o 89.64896 6.747395 717.0353       102.5385 737.0209       138.4207 692.7318       152.6428 89.28773 9.210641 85.43967 10.69642 3.848061       14.11557 
1 1 1 15  15 0  o 27.61041 10.47707 49.86552       68.05418 -44.03305      96.27779 143.6290       96.20853 24.24960 10.94611 40.02018 12.60853 -15.77059      16.69708 
1 1 1 15  15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  15 4  o 105.0999 5.054348 952.9265       90.71294 968.3315       134.7446 940.1571       122.6777 105.0279 7.563483 103.6956 6.968398 1.332260       10.28420 
1 1 1 15  15 5  o 28.38588 10.15897 62.96579       62.41229 136.9266       83.82988 -29.01534      93.48616 38.62082 11.70071 24.55205 10.95725 14.06877       16.03022 
1 1 1 15  15 6  o 67.87606 6.693140 405.2792       76.56987 330.3735       102.7871 498.6749       114.7742 59.95367 10.41778 74.45007 9.225284 -14.49640      13.91531 
1 1 1 15  15 7  o 45.65064 9.039034 191.0619       67.97150 213.8070       92.53548 164.4087       100.1702 47.58614 11.51251 41.85915 12.81335 5.726990       17.22556 
1 1 1 15  15 8  o 50.75058 8.163826 232.9913       68.35278 281.1869       95.29064 181.9104       98.10149 54.95717 10.53712 43.66574 12.51277 11.29144       16.35849 
1 1 1 15  15 9  o 32.69932 10.96651 94.66026       72.19027 124.6708       105.4651 68.20349       99.02393 37.54661 13.23049 31.94297 12.50095 5.603638       18.20218 
1 1 1 15  15 10 o 25.21172 9.997890 36.31240       64.10126 -50.33991      92.93029 114.9620       88.53509 22.92077 10.50357 35.62611 12.14373 -12.70534      16.05600 
1 1 1 15  15 11 o 82.17857 5.382174 591.3077       75.11254 491.1445       127.8280 644.1311       92.82932 72.28249 10.67739 85.34801 6.416223 -13.06552      12.45691 
1 1 1 15  15 12 o 51.95045 10.61851 257.7531       91.02055 335.9119       133.9111 190.6343       124.0938 57.63889 13.78990 43.71867 14.36845 13.92022       19.91516 
1 1 1 15  15 13 o 80.61583 6.565057 578.8336       89.59261 649.0751       131.7607 518.4293       122.1864 83.67155 9.383256 74.38741 9.861939 9.284149       13.61262 
1 1 1 15  15 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  16 0  o 91.83827 11.28458 768.7386       173.2511 0.000000       0.000000 768.7386       173.2511 ?        ?        91.83827 11.28458 0.000000       11.28458 
1 1 1 15  16 1  o 179.6951 4.873919 2786.531       149.5604 2775.179       251.7082 2792.727       185.9438 177.5518 8.301762 179.3724 6.070497 -1.820587      10.28446 
1 1 1 15  16 2  o 40.62772 11.49328 154.1295       83.31255 380.2650       133.2510 8.995367       106.7507 63.40627 12.74854 28.62125 12.25433 34.78502       17.68315 
1 1 1 15  16 3  o 123.2438 5.066162 1313.392       106.6218 1314.702       167.6690 1312.502       138.1531 121.8770 8.102340 122.4884 6.629539 -0.6114273     10.46894 
1 1 1 15  16 4  o 34.19790 11.23049 104.0896       75.81572 11.31384       110.5165 186.5653       104.2012 29.09856 12.46391 44.25058 12.95881 -15.15202      17.97998 
1 1 1 15  16 5  o 122.4333 5.182737 1298.878       108.3579 1391.496       169.5433 1234.922       140.8874 125.2554 7.967933 118.4828 6.994305 6.772537       10.60228 
1 1 1 15  16 6  o 26.09553 10.03354 44.89787       62.92945 134.8053       83.12039 -75.84071      96.32362 37.95557 11.68099 22.24521 10.36771 15.71037       15.61842 
1 1 1 15  16 7  o 39.63770 10.68273 149.1747       73.94552 220.0065       112.2596 94.88697       98.27890 47.26979 13.33057 34.17701 12.66892 13.09278       18.39037 
1 1 1 15  16 8  o 22.81363 9.739888 6.692977       67.09057 -48.07092      96.48775 57.95380       93.35076 23.48466 10.74018 30.31076 12.05088 -6.826107      16.14234 
1 1 1 15  16 9  o 53.15238 8.474729 259.6459       74.33863 83.90170       110.4223 405.3226       100.5336 33.74219 13.20200 66.32265 9.117771 -32.58046      16.04452 
1 1 1 15  16 10 o 24.90867 10.11050 30.94202       67.15553 74.10843       101.3998 -2.785042      89.63004 32.17506 12.63298 25.12814 10.99089 7.046917       16.74491 
1 1 1 15  16 11 o 40.16663 10.29257 155.8882       70.91910 227.3318       130.0381 125.6428       84.60937 46.72504 14.64863 36.23973 11.86213 10.48531       18.84920 
1 1 1 15  16 12 o 50.29396 8.018239 233.5328       66.55221 178.2013       113.4907 262.5324       82.16185 41.86015 13.74009 52.65121 9.487150 -10.79105      16.69719 
1 1 1 15  17 0  o 77.78509 6.293384 531.2676       82.87910 510.5233       126.2467 546.9790       109.8699 74.63071 10.17093 78.13007 8.364887 -3.499359      13.16887 
1 1 1 15  17 1  o 89.40182 6.011420 699.6073       91.24181 834.8563       136.9775 591.7339       122.3318 96.62138 8.384974 80.94910 9.002103 15.67227       12.30226 
1 1 1 15  17 2  o 46.10919 14.82026 207.4426       132.4133 0.000000       0.000000 207.4426       132.4133 ?        ?        46.10919 14.82026 0.000000       14.82026 
1 1 1 15  17 3  o 44.68255 10.59616 189.3648       79.62568 194.0751       114.1659 184.9032       111.1116 44.58143 13.68466 43.63512 13.51803 0.9463120      19.23557 
1 1 1 15  17 4  o 29.04184 10.81497 64.59667       71.78206 44.69387       102.5009 83.75183       100.5573 30.18925 12.39942 33.23225 12.70561 -3.042995      17.75326 
1 1 1 15  17 5  o 22.34353 9.666097 -0.1655815E-03 67.74922 108.1129       91.79128 -129.3734      100.4117 34.89660 12.33805 20.44914 9.830599 14.44745       15.77555 
1 1 1 15  17 6  o 21.19092 9.409021 -15.24211      68.03284 -75.47953      92.39902 56.08021       100.5419 21.47544 10.05649 30.67250 12.39861 -9.197062      15.96428 
1 1 1 15  17 7  o 113.6959 5.136883 1127.316       99.73470 987.0256       151.7251 1234.056       132.3451 104.1454 8.608478 117.9962 6.594462 -13.85083      10.84402 
1 1 1 15  17 8  o 46.24868 9.654936 203.0987       73.78916 166.7006       109.6269 233.2487       99.77477 41.01337 13.50621 48.45600 12.09567 -7.442627      18.13072 
1 1 1 15  17 9  o 48.62031 10.02459 226.8535       80.46570 215.9210       131.9793 233.3215       101.5155 45.38694 14.81317 48.13589 12.30325 -2.748951      19.25616 
1 1 1 15  17 10 o 77.68476 6.822283 542.0659       89.58718 567.2942       148.3897 527.5965       112.3788 75.98390 11.82039 75.36181 8.904408 0.6220932      14.79899 
1 1 1 15  18 0  o 60.01431 8.143916 327.7932       81.30648 513.2164       126.4175 196.9819       106.1812 74.10827 10.26503 44.55032 13.09127 29.55795       16.63587 
1 1 1 15  18 1  o 29.27727 10.43347 72.17477       65.76409 48.72364       110.3930 85.07584       81.87893 30.99225 12.81316 31.83044 11.60250 -0.8381920     17.28569 
1 1 1 15  18 2  o 31.06289 10.48510 86.76340       65.99553 109.0431       93.97893 65.08700       92.69780 34.90814 12.46895 30.66561 12.06648 4.242531       17.35150 
1 1 1 15  18 3  o 27.10361 10.39256 52.66875       67.39873 23.08826       94.36395 83.47414       96.29787 27.42216 11.62406 32.52408 12.43390 -5.101915      17.02118 
1 1 1 15  18 4  o 30.56622 13.49967 2.350199       138.2425 0.000000       0.000000 2.350199       138.2425 ?        ?        30.56622 13.49967 0.000000       13.49967 
1 1 1 15  18 5  o 35.87231 10.68042 123.9482       70.29672 92.78484       100.6282 153.6522       98.24384 33.51359 12.73458 39.46702 12.77407 -5.953430      18.03736 
1 1 1 15  18 6  o 61.38456 7.515735 343.0291       77.13729 420.0618       113.0755 275.9779       105.4957 66.33522 10.31741 52.53857 12.01919 13.79665       15.84014 
1 1 1 15  18 7  o 40.86469 10.65078 164.3621       75.08034 123.5143       104.8796 207.2998       107.5293 36.22149 13.14232 44.74517 13.18139 -8.523689      18.61369 
1 1 1 15  19 0  o 58.24078 6.996078 306.4541       68.18762 392.4361       104.7639 243.2575       89.81630 64.42517 9.834246 49.94456 10.84191 14.48061       14.63760 
1 1 1 15  19 1  o 40.37189 9.582966 156.6907       65.07704 230.7408       97.49016 97.17562       87.40005 47.94707 11.94960 33.02854 11.99521 14.91853       16.93157 
1 1 1 15  19 2  o 27.40141 10.29667 59.09240       65.35488 -26.12838      113.9186 100.9017       79.79187 26.31563 11.89016 33.01116 11.51614 -6.695526      16.55286 
1 1 1 15  19 3  o 32.96657 10.12211 104.5116       62.45642 188.5319       98.27998 47.59288       80.89109 42.84318 12.59624 27.61467 11.13566 15.22851       16.81274 
1 1 1 15  19 4  o 95.39544 5.363214 803.0132       87.01398 691.7568       136.7334 878.7347       112.8033 85.61757 9.512949 98.90955 6.718373 -13.29198      11.64615 
1 1 1 16  0  0  o 225.5363 17.89607 4457.958       679.2662 4457.958       679.2662 4457.958       679.2662 225.5363 17.89607 225.5363 17.89607 0.000000       0.000000 
1 1 1 16  0  1  o 324.5726 9.260163 9037.729       512.3091 9037.729       512.3091 9037.729       512.3091 324.5726 9.260163 324.5726 9.260163 0.000000       0.000000 
1 1 1 16  0  2  o 58.21528 9.811290 313.5962       89.21501 313.5962       89.21501 313.5962       89.21501 58.21528 9.811290 58.21528 9.811290 0.000000       0.000000 
1 1 1 16  0  3  o 137.5944 6.370843 1629.087       148.9613 1629.087       148.9613 1629.087       148.9613 137.5944 6.370843 137.5944 6.370843 0.000000       0.000000 
1 1 1 16  0  4  o 113.8853 7.075624 1122.301       136.3878 1122.301       136.3878 1122.301       136.3878 113.8853 7.075624 113.8853 7.075624 0.000000       0.000000 
1 1 1 16  0  5  o 96.20595 5.368672 798.6191       87.57241 798.6191       87.57241 798.6191       87.57241 96.20595 5.368672 96.20595 5.368672 0.000000       0.000000 
1 1 1 16  0  6  o 292.2319 6.636513 7318.463       330.7985 7318.463       330.7985 7318.463       330.7985 292.2319 6.636513 292.2319 6.636513 0.000000       0.000000 
1 1 1 16  0  7  o 114.4766 4.938575 1126.597       96.13409 1126.597       96.13409 1126.597       96.13409 114.4766 4.938575 114.4766 4.938575 0.000000       0.000000 
1 1 1 16  0  8  o 144.8068 5.189775 1800.081       127.9594 1800.081       127.9594 1800.081       127.9594 144.8068 5.189775 144.8068 5.189775 0.000000       0.000000 
1 1 1 16  0  9  o 332.0272 6.725170 9451.121       380.9575 9451.121       380.9575 9451.121       380.9575 332.0272 6.725170 332.0272 6.725170 0.000000       0.000000 
1 1 1 16  0  10 o 112.7305 5.519942 1095.043       105.6810 1095.043       105.6810 1095.043       105.6810 112.7305 5.519942 112.7305 5.519942 0.000000       0.000000 
1 1 1 16  0  11 o 131.5865 20.08535 1614.692       420.1167 1614.692       420.1167 1614.692       420.1167 131.5865 20.08535 131.5865 20.08535 0.000000       0.000000 
1 1 1 16  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0  13 o 213.4946 6.089064 3912.300       221.5845 3912.300       221.5845 3912.300       221.5845 213.4946 6.089064 213.4946 6.089064 0.000000       0.000000 
1 1 1 16  0  14 f 48.10877 12.36051 234.7253       87.77245 234.7253       87.77245 234.7253       87.77245 48.10877 12.36051 48.10877 12.36051 0.000000       0.000000 
1 1 1 16  0  15 o 78.43304 7.711821 543.5738       100.9981 543.5738       100.9981 543.5738       100.9981 78.43304 7.711821 78.43304 7.711821 0.000000       0.000000 
1 1 1 16  0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0  17 o 85.17515 7.206233 637.5018       103.0888 637.5018       103.0888 637.5018       103.0888 85.17515 7.206233 85.17515 7.206233 0.000000       0.000000 
1 1 1 16  0  18 o 11.78596 8.289671 -71.56318      64.91773 -71.56318      64.91773 -71.56318      64.91773 11.78596 8.289671 11.78596 8.289671 0.000000       0.000000 
1 1 1 16  0  19 o 62.39705 9.410176 359.8366       93.52986 359.8366       93.52986 359.8366       93.52986 62.39705 9.410176 62.39705 9.410176 0.000000       0.000000 
1 1 1 16  0  20 o 21.10904 12.56304 45.23808       79.37068 45.23808       79.37068 45.23808       79.37068 21.10904 12.56304 21.10904 12.56304 0.000000       0.000000 
1 1 1 16  0  21 o 18.40361 11.67900 14.31973       79.70240 14.31973       79.70240 14.31973       79.70240 18.40361 11.67900 18.40361 11.67900 0.000000       0.000000 
1 1 1 16  0  22 o 77.06379 8.287226 535.6592       105.8704 535.6592       105.8704 535.6592       105.8704 77.06379 8.287226 77.06379 8.287226 0.000000       0.000000 
1 1 1 16  1  0  o 314.0760 7.619477 8447.066       408.6598 8577.041       441.9516 7680.566       1073.254 316.4131 8.179341 295.8264 21.38951 20.58667       22.90006 
1 1 1 16  1  1  o 217.9003 6.453824 4063.366       240.1468 4107.907       261.0820 3818.578       612.0635 219.0486 6.979665 209.0762 17.29851 9.972427       18.65353 
1 1 1 16  1  2  o 322.7035 6.010407 8911.292       331.2146 9010.882       467.6009 8811.011       469.2197 324.1523 8.447424 320.5163 8.572831 3.636047       12.03546 
1 1 1 16  1  3  o 140.0741 3.844376 1677.001       91.95720 1659.729       147.3888 1688.010       117.6680 139.2368 6.198812 140.4880 4.904757 -1.251175      7.904550 
1 1 1 16  1  4  o 199.7561 3.929322 3411.151       134.0354 3231.442       218.5095 3519.561       169.7152 194.2089 6.588693 202.8369 4.899725 -8.628021      8.210857 
1 1 1 16  1  5  o 264.1619 4.811383 5970.465       217.0411 5887.957       354.9422 6019.741       274.2989 261.8661 7.937366 265.0897 6.059396 -3.223602      9.985893 
1 1 1 16  1  6  o 290.0277 4.854109 7198.618       240.4091 6942.133       400.1653 7343.473       300.7300 284.1997 8.245440 292.7513 6.015561 -8.551575      10.20658 
1 1 1 16  1  7  o 225.9273 3.829213 4365.025       147.7339 4004.819       208.1247 4730.842       209.7392 216.2083 5.637019 235.0461 5.225462 -18.83784      7.686445 
1 1 1 16  1  8  o 242.0112 4.094449 5010.666       169.2126 4815.737       241.8730 5197.524       236.8128 236.9943 5.976509 246.2672 5.631145 -9.272812      8.211483 
1 1 1 16  1  9  o 187.5499 3.675901 3008.474       117.7287 2959.774       167.5441 3055.970       165.4625 185.8576 5.278944 188.8721 5.130147 -3.014572      7.361091 
1 1 1 16  1  10 o 138.4535 3.810409 1639.949       90.09022 1620.023       130.2986 1658.199       124.6994 137.4591 5.550914 139.0997 5.249721 -1.640594      7.640171 
1 1 1 16  1  11 o 133.3748 13.06452 1569.246       293.7358 1467.652       418.4458 1667.940       412.4297 126.2620 20.07962 135.5531 18.28363 -9.291077      27.15663 
1 1 1 16  1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1  13 o 33.78055 9.387330 101.6717       56.09780 114.8156       79.97340 88.93980       78.71023 36.48805 11.49555 33.34546 11.44881 3.142590       16.22414 
1 1 1 16  1  14 o 120.0196 4.491491 1234.307       92.05440 1118.090       138.5640 1326.124       123.1620 113.6972 7.173500 124.2555 5.804423 -10.55833      9.227698 
1 1 1 16  1  15 o 71.41379 7.904810 446.5719       94.78288 418.2400       105.0972 570.0313       219.3895 68.78332 9.176474 77.94910 16.96361 -9.165779      19.28657 
1 1 1 16  1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  1  17 o 121.7711 4.162626 1272.985       86.55927 1260.154       128.5570 1283.626       117.0738 120.5864 6.264609 122.0071 5.619175 -1.420753      8.415489 
1 1 1 16  1  18 o 58.99935 7.423962 307.7488       73.14093 741.5496       219.4847 253.5581       77.57494 88.60526 15.04382 53.06892 8.873410 35.53635       17.46580 
1 1 1 16  1  19 o 130.0610 4.318199 1455.974       95.90726 1371.475       143.5230 1524.148       128.9164 125.3467 6.729734 132.6810 5.689806 -7.334335      8.812674 
1 1 1 16  1  20 o 99.05186 4.767357 847.7368       80.63847 775.4576       116.6301 913.9339       111.6152 93.71513 7.346688 102.1650 6.430440 -8.449913      9.763420 
1 1 1 16  1  21 o 65.29440 6.360546 376.2191       70.02011 361.9134       102.5734 388.7025       95.81815 62.62761 9.921769 65.44907 8.795845 -2.821465      13.25928 
1 1 1 16  1  22 o 71.00758 6.041639 444.2368       72.56281 433.1192       105.7175 454.1402       99.77841 68.72957 9.241660 70.80273 8.417418 -2.073166      12.50045 
1 1 1 16  2  0  o 358.9915 8.047943 11041.31       493.3680 11300.69       533.0370 9490.671       1303.297 363.0966 8.596729 327.9241 23.42809 35.17249       24.95554 
1 1 1 16  2  1  o 211.4440 4.915265 3822.703       177.4779 3781.253       241.4939 3871.381       261.7061 210.1662 6.728859 212.6151 7.208051 -2.448898      9.860707 
1 1 1 16  2  2  o 72.34695 4.444131 449.1529       54.63887 422.2208       81.93830 470.7175       73.32007 69.86894 6.960174 73.93813 5.854890 -4.069183      9.095260 
1 1 1 16  2  3  o 302.9684 5.114043 7852.243       264.5840 7817.645       452.6772 7870.196       326.0821 301.7404 8.785232 303.1654 6.298620 -1.424957      10.80985 
1 1 1 16  2  4  o 73.71659 4.757779 466.7743       59.57264 337.6917       92.30807 558.9127       77.98772 62.05528 8.971227 80.59880 5.703072 -18.54352      10.63052 
1 1 1 16  2  5  o 44.55780 7.240703 174.6660       53.20274 166.4944       77.21816 182.0508       73.40654 43.09065 10.57315 45.11746 9.807546 -2.026810      14.42149 
1 1 1 16  2  6  o 78.55054 4.469033 529.5854       59.69883 590.0162       91.90425 485.4738       78.52047 82.69275 6.562200 75.00857 6.185297 7.684181       9.017781 
1 1 1 16  2  7  o 135.5351 3.860440 1571.035       89.34921 1726.291       144.2808 1474.457       113.7952 141.9147 5.953592 131.2249 5.078154 10.68990       7.825145 
1 1 1 16  2  8  o 57.33379 5.201642 283.8676       50.37321 344.3202       76.29700 237.1542       67.06882 62.90041 7.234945 51.95077 7.801081 10.94964       10.63961 
1 1 1 16  2  9  f 133.8942 3.790232 1533.537       86.66214 1513.861       126.6869 1550.843       118.8096 132.8897 5.582625 134.5410 5.171241 -1.651382      7.609694 
1 1 1 16  2  10 o 163.6193 3.805852 2290.357       106.3380 2137.958       158.0447 2416.417       143.7402 157.8673 5.862542 167.9395 5.012143 -10.07219      7.713039 
1 1 1 16  2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2  12 o 132.4172 3.962297 1500.540       89.59701 1510.886       134.0158 1492.179       120.4808 132.6882 5.914554 131.9249 5.347972 0.7633209      7.973880 
1 1 1 16  2  13 o 98.54712 4.737648 832.1082       79.72760 748.6395       125.2396 888.9846       103.3821 92.84521 7.976599 101.5801 5.986304 -8.734871      9.973063 
1 1 1 16  2  14 o 186.8403 4.104804 2989.881       130.9679 2931.002       190.9508 3042.183       179.9697 184.6569 6.055558 188.2178 5.599337 -3.560944      8.247566 
1 1 1 16  2  15 o 118.6459 4.267587 1206.928       86.46434 1267.367       125.3437 1152.060       119.4287 121.3266 6.049850 115.5163 6.075642 5.810272       8.574038 
1 1 1 16  2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2  17 o 99.96503 4.549816 858.9420       77.66831 1001.935       113.9553 734.8905       106.1399 107.4789 6.235625 91.84544 6.815970 15.63345       9.237990 
1 1 1 16  2  18 o 57.54422 6.282369 290.2295       60.73135 379.5769       100.0993 238.1825       76.39907 65.02830 9.277191 51.32996 9.046504 13.69833       12.95784 
1 1 1 16  2  19 o 69.49969 7.751468 428.1971       90.42873 579.3163       233.6048 401.5610       98.07492 75.64698 18.28598 66.92604 8.794380 8.720940       20.29084 
1 1 1 16  2  20 o 67.11437 6.022750 395.0831       68.29131 259.5532       105.7097 492.1628       89.46677 52.17894 12.09893 74.59923 7.109056 -22.42029      14.03292 
1 1 1 16  2  21 o 74.64176 5.561351 487.2818       70.37798 405.9608       106.4932 550.3383       93.77458 66.49916 9.660461 78.80398 7.042634 -12.30482      11.95505 
1 1 1 16  2  22 o 125.1775 4.488424 1356.760       95.94495 1317.564       147.5390 1385.481       126.2973 121.8940 7.118934 125.8728 5.875709 -3.978790      9.230556 
1 1 1 16  3  0  o 346.8401 6.687073 10297.63       396.0657 10114.75       556.9260 10484.77       563.3726 343.3018 9.499908 349.5363 9.438468 -6.234497      13.39153 
1 1 1 16  3  1  o 185.0728 4.535849 2928.299       143.3518 2874.500       197.5719 2988.106       208.3145 183.2546 6.313476 186.8246 6.529553 -3.570038      9.082678 
1 1 1 16  3  2  o 51.37709 7.295497 230.6889       62.20889 234.0257       72.19345 221.0664       122.5977 51.55531 8.496180 49.82730 13.88846 1.728008       16.28111 
1 1 1 16  3  3  o 103.2172 4.179960 910.9002       73.67601 856.1277       106.1884 961.7419       102.3072 99.78605 6.263449 105.8459 5.680935 -6.059891      8.455994 
1 1 1 16  3  4  o 198.5596 4.230368 3371.600       143.4402 3128.150       234.6578 3516.834       181.2443 190.9731 7.195498 202.7064 5.235944 -11.73332      8.898892 
1 1 1 16  3  5  o 103.3084 4.128438 912.7589       72.83217 904.3702       106.6883 920.0802       99.66999 102.5510 6.120108 103.4940 5.661046 -0.9429550     8.336856 
1 1 1 16  3  6  o 131.9597 3.953678 1489.228       89.09323 1349.472       143.7854 1576.325       113.5095 125.2414 6.747924 135.7048 4.898184 -10.46333      8.338266 
1 1 1 16  3  7  o 135.6025 3.885667 1572.758       89.97778 1543.323       146.0457 1590.767       114.2324 134.1306 6.376153 136.3062 4.907628 -2.175583      8.046125 
1 1 1 16  3  8  o 177.5926 4.048267 2698.372       122.7710 2501.647       200.7611 2815.887       155.1662 170.6693 6.888464 181.3208 5.011267 -10.65155      8.518435 
1 1 1 16  3  9  o 248.2035 4.608263 5274.821       195.3201 5182.187       325.0033 5327.194       244.3748 245.3844 7.756018 249.2396 5.741659 -3.855148      9.649998 
1 1 1 16  3  10 o 144.7112 11.94586 1835.386       292.5647 1785.182       402.9104 1891.381       425.5120 140.8353 17.10413 144.8185 17.56570 -3.983170      24.51744 
1 1 1 16  3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  3  12 o 110.2604 5.145459 1042.140       96.88258 1005.915       129.7354 1087.809       145.6701 107.9112 7.079531 112.1293 7.653356 -4.218102      10.42562 
1 1 1 16  3  13 o 144.3592 3.985567 1783.898       98.25091 1864.034       151.2157 1725.351       129.2509 147.3268 6.010537 141.8272 5.336691 5.499603       8.037837 
1 1 1 16  3  14 o 82.05721 4.681285 579.2112       65.32509 581.7159       98.19194 577.2224       87.49744 81.84463 7.095825 81.66684 6.323333 0.1777878      9.504487 
1 1 1 16  3  15 o 106.9495 4.423422 981.2880       80.78654 1098.506       113.7471 861.9767       114.7584 112.7928 5.926273 99.69544 6.781036 13.09738       9.005730 
1 1 1 16  3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  3  17 o 49.85354 7.324148 220.3884       60.49384 285.0578       98.44518 181.1544       76.67905 55.86065 10.70989 44.42522 10.30689 11.43544       14.86384 
1 1 1 16  3  18 o 72.90042 5.836737 462.7142       72.05178 497.1962       106.9126 434.0211       97.52624 74.79870 8.522297 69.88700 8.336419 4.911697       11.92164 
1 1 1 16  3  19 o 56.28474 6.885912 280.2719       64.80389 246.2396       98.10601 306.6154       86.31513 51.23928 11.49510 58.24632 8.965480 -7.007030      14.57797 
1 1 1 16  3  20 o 20.93518 9.289844 -17.52985      66.22309 36.26741       245.2690 -21.76011      68.77750 41.41083 18.14533 21.06286 9.399334 20.34797       20.43528 
1 1 1 16  3  21 o 44.24848 8.698185 180.4035       63.38160 67.54577       101.1580 253.3436       81.32384 32.04030 12.60582 52.34817 9.444847 -20.30787      15.75157 
1 1 1 16  3  22 o 84.21991 6.023727 624.4864       86.06084 642.8470       126.6754 608.7474       117.2834 83.95486 8.974814 81.94035 8.505716 2.014519       12.36505 
1 1 1 16  4  0  o 236.4064 5.482090 4781.007       221.3133 4623.025       299.6459 4970.624       328.2786 232.2688 7.554672 240.7917 7.983606 -8.522934      10.99141 
1 1 1 16  4  1  o 119.5148 4.987138 1221.718       101.7830 1063.169       134.1193 1437.041       156.2984 111.1672 7.102097 129.3106 7.105381 -18.14336      10.04620 
1 1 1 16  4  2  o 223.9227 5.039571 4289.683       192.7053 4247.457       266.4427 4335.999       279.0469 222.6130 7.008924 224.8894 7.266182 -2.276337      10.09566 
1 1 1 16  4  3  o 199.8714 4.156843 3416.030       141.8784 3209.537       226.3856 3549.593       182.0701 193.4887 6.851588 203.6523 5.235369 -10.16360      8.622838 
1 1 1 16  4  4  o 238.5350 4.445899 4867.337       181.0980 5037.571       299.0936 4768.802       227.5520 242.2975 7.228635 235.9726 5.646993 6.324875       9.172878 
1 1 1 16  4  5  o 90.79409 4.286397 705.1860       66.45872 716.3595       105.7547 697.8934       85.43662 91.12453 6.846179 90.09335 5.580750 1.031189       8.832607 
1 1 1 16  4  6  o 189.0563 4.201147 3057.784       135.6316 2933.743       222.0541 3131.601       171.2992 184.8553 7.034367 191.2198 5.245907 -6.364517      8.775070 
1 1 1 16  4  7  o 135.5504 3.960955 1571.786       91.68592 1564.964       148.9231 1575.950       116.3509 135.0449 6.457762 135.6521 5.022747 -0.6071777     8.181117 
1 1 1 16  4  8  o 109.8743 4.030592 1032.936       75.62525 976.5574       117.7124 1072.562       98.68611 106.4594 6.506176 111.8869 5.165054 -5.427444      8.307112 
1 1 1 16  4  9  o 43.36209 6.866343 165.4767       49.15010 177.9144       72.99106 155.1585       66.48158 44.49959 9.864313 41.55454 9.566718 2.945045       13.74143 
1 1 1 16  4  10 o 63.08360 19.56010 360.2665       232.5777 360.2665       232.5777 0.000000       0.000000 63.08360 19.56010 ?        ?        0.000000       19.56010 
1 1 1 16  4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  4  12 o 124.0004 4.254850 1316.560       90.09676 1285.784       147.4844 1334.883       113.7994 122.0334 7.108046 124.7593 5.341526 -2.725891      8.891356 
1 1 1 16  4  13 o 123.3224 4.390450 1302.871       92.45978 1367.959       148.7508 1261.892       118.0306 125.8642 6.947689 121.2293 5.701447 4.634903       8.987596 
1 1 1 16  4  14 o 32.73558 8.836969 96.13204       50.55154 116.4148       75.20171 79.41126       68.27984 36.34794 11.09790 31.28108 10.66449 5.066864       15.39138 
1 1 1 16  4  15 o 118.6605 4.527762 1208.722       91.74694 1375.545       151.1208 1111.341       115.4605 125.9118 7.056819 113.3995 5.983573 12.51234       9.252126 
1 1 1 16  4  16 o 10.30222 5.216606 -160.5863      45.78398 -160.8271      73.38272 -160.4328      58.58484 15.45514 7.633873 12.80116 6.403436 2.653986       9.963936 
1 1 1 16  4  17 o 105.3787 4.561642 955.2644       82.08727 872.2398       128.3453 1012.737       106.7839 99.77063 7.590053 108.1033 5.805738 -8.332710      9.555914 
1 1 1 16  4  18 o 99.92004 4.967884 861.2082       84.76684 704.1992       136.2024 960.4698       108.2962 88.88354 9.101870 105.0952 6.060019 -16.21167      10.93471 
1 1 1 16  4  19 o 72.33064 5.719688 456.6488       70.07112 430.9199       109.2768 474.6149       91.31549 68.93855 9.537990 73.22202 7.404768 -4.283478      12.07493 
1 1 1 16  4  20 o 41.16082 8.417564 155.6199       57.17039 256.4572       99.05268 105.2480       70.00832 51.94870 11.47221 33.98646 10.76068 17.96223       15.72908 
1 1 1 16  4  21 o 112.2336 4.652386 1090.623       89.16623 1262.225       139.1774 971.1509       116.1291 119.6043 6.842692 105.0310 6.506766 14.57330       9.442480 
1 1 1 16  4  22 o 96.28439 5.492721 811.9636       89.93768 847.9258       137.1838 784.8550       119.1056 96.82383 8.379560 93.64578 7.511256 3.178047       11.25327 
1 1 1 16  5  0  o 116.1569 5.255992 1154.360       104.2561 977.2540       135.9437 1407.276       162.4537 106.5002 7.523324 127.9043 7.470250 -21.40412      10.60212 
1 1 1 16  5  1  o 308.6111 8.102292 8174.871       426.9935 8257.981       464.0183 7715.543       1090.859 310.0375 8.764336 294.2866 21.86301 15.75092       23.55429 
1 1 1 16  5  2  o 465.0522 8.466784 18582.79       672.3912 17703.88       967.9800 19402.30       934.7025 452.2325 12.53437 473.9170 11.54966 -21.68448      17.04421 
1 1 1 16  5  3  o 91.00077 4.246061 708.2933       65.98317 573.7853       101.3226 807.3407       86.94691 81.43681 7.365627 96.96783 5.270586 -15.53102      9.057126 
1 1 1 16  5  4  o 302.2964 5.251249 7824.683       271.0800 7526.033       450.4053 7994.308       339.4427 295.6846 8.920164 305.3238 6.510342 -9.639191      11.04327 
1 1 1 16  5  5  o 71.58840 4.814216 440.6677       58.51109 493.8496       82.58437 387.0644       82.91095 75.60605 6.458417 66.72583 7.401067 8.880219       9.822778 
1 1 1 16  5  6  o 124.9528 4.116203 1335.816       87.83035 1191.698       135.4292 1440.433       115.3861 117.6246 6.770958 129.6742 5.210724 -12.04959      8.543859 
1 1 1 16  5  7  o 114.0283 3.951244 1112.422       76.93930 1188.918       122.6286 1062.759       98.80695 117.5602 6.129658 111.3724 5.195267 6.187759       8.035142 
1 1 1 16  5  8  o 143.8077 4.156593 1769.931       102.0755 1904.976       166.5650 1688.712       129.1740 148.9343 6.549186 140.3573 5.389371 8.576965       8.481578 
1 1 1 16  5  9  o 66.15594 15.13572 400.4672       167.2857 357.8885       220.9699 457.6341       256.0412 62.72641 18.99517 70.24355 20.23994 -7.517143      27.75737 
1 1 1 16  5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  5  11 o 184.2606 4.353740 2907.240       136.9925 2916.879       233.9282 2902.209       169.0040 184.0605 7.442522 183.9625 5.379796 0.9796143E-01  9.183318 
1 1 1 16  5  12 o 125.9004 4.152890 1357.175       89.28517 1208.232       149.9712 1438.951       111.1248 118.1952 7.468705 129.5545 5.022923 -11.35928      9.000628 
1 1 1 16  5  13 o 331.9496 5.775534 9468.583       327.3906 8654.315       563.6246 9883.224       402.2003 315.0715 10.47560 338.6561 6.954750 -23.58463      12.57405 
1 1 1 16  5  14 o 252.7138 5.005760 5485.388       216.0235 5451.313       372.6215 5502.638       265.1239 250.4281 8.713306 252.7327 6.143071 -2.304672      10.66110 
1 1 1 16  5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  5  16 o 91.83970 4.683333 727.2026       73.20527 776.7182       123.6160 700.4583       90.84885 94.15028 7.757735 89.86186 5.954010 4.288414       9.779197 
1 1 1 16  5  17 o 103.0893 4.717766 915.1870       83.05231 754.7487       145.0753 993.4003       101.2931 92.05141 9.359320 107.0889 5.558136 -15.03750      10.88530 
1 1 1 16  5  18 o 72.97035 5.150528 462.2047       63.76794 496.2941       108.2350 444.0808       78.91924 74.55596 8.662738 71.15318 6.569286 3.402786       10.87192 
1 1 1 16  5  19 o 46.20828 7.842997 193.0027       59.67494 263.2142       109.6768 163.4760       71.12443 52.43873 12.43628 41.84211 10.07477 10.59663       16.00506 
1 1 1 16  5  20 o 111.0952 4.933253 1069.674       93.59026 1023.554       161.5116 1092.989       114.8350 106.5549 8.959381 111.7351 6.040866 -5.180214      10.80567 
1 1 1 16  5  21 o 40.60041 10.92126 157.6593       77.37228 309.6630       144.4691 96.52570       91.61953 55.06431 14.97033 33.82588 12.28187 21.23843       19.36376 
1 1 1 16  6  0  o 50.00111 7.648420 219.4213       63.22990 183.0998       82.49668 271.1417       98.44303 45.18605 10.83204 55.13852 10.84151 -9.952469      15.32551 
1 1 1 16  6  1  o 186.1280 4.704840 2964.081       149.5403 3096.306       213.9279 2837.735       209.1181 190.0459 6.591847 181.9219 6.731387 8.123962       9.421466 
1 1 1 16  6  2  o 144.2719 4.699594 1781.107       115.7828 1812.051       165.1252 1751.178       162.3923 145.3598 6.652230 142.8971 6.654875 2.462631       9.409545 
1 1 1 16  6  3  o 294.0128 5.170528 7401.679       259.5991 7590.462       441.9685 7302.241       320.7625 296.9693 8.715211 291.8052 6.437077 5.164093       10.83471 
1 1 1 16  6  4  o 129.1136 4.302923 1426.336       94.87188 1473.922       148.5680 1393.571       123.2808 130.8911 6.668911 127.5249 5.661067 3.366180       8.747688 
1 1 1 16  6  5  o 179.9461 4.406426 2771.293       135.4038 2775.263       223.3960 2768.987       170.2386 179.7087 7.279546 179.7474 5.546174 -0.3862000E-01 9.151603 
1 1 1 16  6  6  o 169.8475 4.144256 2468.631       120.2009 2263.613       193.3954 2597.681       153.4367 162.3114 6.977426 174.1240 5.160225 -11.81264      8.678271 
1 1 1 16  6  7  o 146.8438 4.122406 1845.406       103.3733 1941.875       164.9788 1783.050       132.6399 150.3840 6.424280 144.2234 5.385632 6.160660       8.383101 
1 1 1 16  6  8  o 204.7086 5.230349 3592.113       182.8390 3444.192       254.2831 3750.455       263.0884 200.0478 7.443577 208.7668 7.379692 -8.719009      10.48173 
1 1 1 16  6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  6  10 o 227.4430 4.723729 4431.631       183.4677 4322.402       312.4832 4489.093       226.6448 223.8815 8.173471 228.7193 5.802847 -4.837723      10.02390 
1 1 1 16  6  11 o 140.4757 4.178002 1689.614       100.2240 1680.257       169.0116 1694.689       124.4706 139.5394 7.116447 140.5806 5.184889 -1.041260      8.804936 
1 1 1 16  6  12 o 105.7387 4.635237 958.3568       83.69665 968.1920       137.5853 952.5790       105.4529 105.6537 7.678283 105.1312 5.897689 0.5224991      9.681878 
1 1 1 16  6  13 o 163.6287 4.388149 2295.743       122.6148 2269.738       207.6547 2309.664       151.9284 162.0441 7.504239 163.9414 5.426856 -1.897354      9.260905 
1 1 1 16  6  14 o 204.1334 4.645782 3578.714       161.9477 3422.196       273.5144 3663.209       200.9613 198.4613 8.070539 206.2251 5.706492 -7.763779      9.884212 
1 1 1 16  6  15 o 46.73862 12.76948 202.3946       104.8104 0.000000       0.000000 202.3946       104.8104 ?        ?        46.73862 12.76948 0.000000       12.76948 
1 1 1 16  6  16 o 127.8357 4.480670 1405.514       97.81313 1368.267       160.3239 1427.598       123.4505 125.0901 7.540637 128.5686 5.622844 -3.478462      9.406253 
1 1 1 16  6  17 o 126.4274 4.313999 1375.353       93.13716 1344.648       159.2479 1391.316       114.8230 123.8064 7.568671 126.9106 5.298209 -3.104187      9.238820 
1 1 1 16  6  18 o 56.46200 6.405669 281.0263       60.66916 381.3619       98.70508 220.1037       76.91329 64.94746 9.153582 48.93524 9.546822 16.01221       13.22610 
1 1 1 16  6  19 o 70.86894 5.422907 438.6316       65.13006 397.1417       108.3201 462.1251       81.51008 65.70354 9.967087 72.34715 6.672833 -6.643600      11.99456 
1 1 1 16  6  20 o 23.40281 10.05768 3.201063       72.39450 -135.5959      139.8285 54.03104       84.61856 25.37958 12.03251 29.27877 11.52614 -3.899185      16.66233 
1 1 1 16  6  21 o 105.0327 5.312988 964.1285       94.98412 800.4289       158.8601 1055.213       118.4987 92.85900 10.18538 109.3494 6.373556 -16.49044      12.01517 
1 1 1 16  7  0  o 85.69458 5.062713 630.8227       73.75752 653.1751       99.06001 603.0136       110.4916 87.00932 6.719055 83.41677 7.848943 3.592552       10.33207 
1 1 1 16  7  1  o 80.94392 5.071597 563.1311       69.74812 539.6461       98.01180 587.2267       99.27787 78.93819 7.355616 82.40716 7.124902 -3.468971      10.24057 
1 1 1 16  7  2  o 190.5570 5.030776 3109.132       163.7049 3120.397       235.0095 3098.514       228.1694 190.6193 7.219656 189.9776 7.033203 0.6417389      10.07916 
1 1 1 16  7  3  o 58.60440 5.941123 297.4629       58.63491 334.6155       80.01397 254.3708       86.17268 61.91112 7.737175 53.46404 9.799704 8.447079       12.48592 
1 1 1 16  7  4  o 60.56152 5.499466 316.9089       56.25463 345.5565       81.05720 290.2895       78.13537 62.92361 7.704508 57.50489 8.188108 5.418724       11.24298 
1 1 1 16  7  5  o 93.00971 4.464293 740.5963       70.90600 686.9707       107.3371 782.1159       94.44749 89.11967 7.112240 95.31622 5.830623 -6.196548      9.196745 
1 1 1 16  7  6  o 244.9655 5.545084 5145.680       231.9610 5086.040       333.8351 5201.354       322.5413 242.9682 8.046009 245.8040 7.684124 -2.835785      11.12583 
1 1 1 16  7  7  o 63.58515 5.445291 349.2161       58.55563 332.5997       88.73489 362.0332       77.93301 61.48730 8.693356 64.48072 7.200621 -2.993420      11.28820 
1 1 1 16  7  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  7  10 o 124.6578 4.307846 1330.791       91.70259 1332.940       149.5587 1329.496       116.0847 124.2467 7.078254 124.4844 5.460823 -0.2376480     8.939926 
1 1 1 16  7  11 o 239.3347 4.871203 4911.314       199.0874 4866.771       345.8457 4933.390       243.4744 237.2245 8.537306 239.6263 5.949998 -2.401794      10.40616 
1 1 1 16  7  12 o 229.4846 4.797300 4518.351       187.9976 4533.802       322.1730 4510.373       231.4980 228.8001 8.245767 228.9931 5.920016 -0.1930695     10.15083 
1 1 1 16  7  13 o 136.3705 4.477384 1596.124       104.2669 1757.761       181.2471 1516.173       127.4719 142.2608 7.487124 132.7127 5.624710 9.548141       9.364529 
1 1 1 16  7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  7  15 o 69.01151 5.573019 413.6094       65.11680 445.2624       107.3393 395.1772       81.91068 70.67384 9.105827 67.04808 7.270552 3.625755       11.65234 
1 1 1 16  7  16 o 30.08965 9.388659 79.89838       53.48875 50.01643       87.00255 98.05608       67.82002 29.63786 11.68105 33.30345 10.59615 -3.665588      15.77103 
1 1 1 16  7  17 f 136.2006 4.461856 1598.464       103.7759 1548.063       170.8653 1627.923       130.6293 132.7072 7.571138 137.0985 5.579638 -4.391235      9.405025 
1 1 1 16  7  18 o 135.9743 4.375400 1595.347       101.5960 1438.431       170.4435 1681.824       126.5310 127.4137 7.872183 139.2625 5.320601 -11.84889      9.501581 
1 1 1 16  7  19 o 88.84562 4.939024 686.3508       74.63821 807.2996       136.8172 635.1046       89.05754 94.74696 8.548221 85.02097 6.176157 9.725998       10.54595 
1 1 1 16  7  20 o 42.17366 8.977210 165.7746       62.66857 320.7304       95.13554 46.99347       83.29377 58.68579 9.841524 28.39467 11.35267 30.29112       15.02461 
1 1 1 16  7  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  8  0  o 111.0283 4.645319 1055.145       88.07468 1075.202       124.9486 1035.339       124.1679 111.7493 6.576632 109.6393 6.663544 2.110016       9.362420 
1 1 1 16  8  1  o 68.48336 5.473506 404.4334       63.47585 332.9813       86.82243 486.4789       93.03617 61.62061 8.475293 74.88273 7.371136 -13.26212      11.23229 
1 1 1 16  8  2  o 148.8081 4.614958 1895.829       117.2725 1885.021       167.0546 1906.330       164.6680 148.1742 6.602126 149.0256 6.470629 -0.8513489     9.244302 
1 1 1 16  8  3  o 197.9030 5.037369 3355.311       170.2387 3452.644       244.4307 3263.622       237.2380 200.4145 7.142082 194.8535 7.129749 5.561035       10.09171 
1 1 1 16  8  4  o 179.7240 4.883836 2767.024       149.8887 2643.959       214.5314 2884.393       209.5072 175.3504 7.164441 183.2315 6.695716 -7.881134      9.806213 
1 1 1 16  8  5  o 230.0734 4.805258 4534.721       188.7927 4557.201       316.9164 4522.354       235.0524 229.9483 8.070725 229.5471 5.996405 0.4012299      10.05453 
1 1 1 16  8  6  o 148.8615 13.83101 1961.557       347.5717 2170.306       639.0729 1873.874       414.1850 150.5726 25.78155 144.1092 17.16858 6.463394       30.97496 
1 1 1 16  8  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  8  8  o 102.4190 8.561810 911.8253       148.3701 0.000000       0.000000 911.8253       148.3701 ?        ?        102.4190 8.561810 0.000000       8.561810 
1 1 1 16  8  9  o 70.79144 5.620798 432.7751       67.38953 530.5762       98.82838 347.7820       92.13015 78.11996 7.500491 62.83049 8.830512 15.28947       11.58600 
1 1 1 16  8  10 o 163.2008 4.544128 2282.488       126.6412 2378.794       207.6941 2225.490       159.7805 166.1241 7.321325 160.9630 5.812938 5.161072       9.348372 
1 1 1 16  8  11 o 223.6191 4.759554 4289.907       181.7511 4355.423       310.3467 4255.707       224.2257 224.3162 8.101858 222.4431 5.902888 1.873047       10.02418 
1 1 1 16  8  12 o 132.7569 4.409451 1512.314       99.96400 1441.542       177.3986 1545.242       121.0047 128.6122 8.118970 134.0494 5.286102 -5.437180      9.688165 
1 1 1 16  8  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  8  14 o 101.9497 4.798961 894.3755       83.54781 877.6792       133.4151 905.1474       107.1617 100.0517 7.872280 102.1243 6.173835 -2.072525      10.00445 
1 1 1 16  8  15 o 61.54963 6.102740 331.2466       63.29793 454.5584       102.0136 254.0508       80.71468 71.49201 8.524071 52.96684 9.260936 18.52517       12.58669 
1 1 1 16  8  16 o 44.55730 7.440412 178.0071       54.61683 195.5980       93.69976 168.9547       67.21659 45.60574 11.90415 42.86262 9.438553 2.743114       15.19194 
1 1 1 16  8  17 o 27.86267 8.887645 68.25750       47.68958 25.14639       88.51272 85.89128       56.60878 27.46867 11.42432 30.94403 9.659151 -3.475363      14.96043 
1 1 1 16  8  18 o 23.84956 8.966908 39.69297       49.57763 83.41019       86.75801 18.49467       60.41347 32.35940 11.92067 22.98499 9.488799 9.374413       15.23613 
1 1 1 16  8  19 o 64.75165 5.719219 368.4937       62.58960 274.5481       106.4371 418.1507       77.38291 53.30200 11.98464 68.66344 6.684349 -15.36145      13.72269 
1 1 1 16  8  20 o 22.62922 9.240902 22.24887       56.52268 -24.01046      87.74861 55.05457       73.89504 23.56063 10.55789 28.08960 10.85261 -4.528963      15.14095 
1 1 1 16  9  0  o 103.8932 4.634493 924.2407       82.22257 856.2731       114.6162 996.3038       118.0190 99.61231 6.778315 107.5331 6.456897 -7.920807      9.361467 
1 1 1 16  9  1  o 93.39655 5.094633 749.6418       80.94721 676.5331       115.4480 820.3408       113.5294 88.32310 7.732266 97.46777 6.864817 -9.144661      10.33991 
1 1 1 16  9  2  o 90.20081 4.926498 699.1413       75.59695 758.1036       105.8027 637.6440       108.0533 93.70194 6.655498 85.76463 7.451884 7.937317       9.991307 
1 1 1 16  9  3  o 362.5905 7.088456 11308.37       438.9045 11399.74       633.1309 11223.84       608.9826 362.6192 10.22447 359.9773 9.906673 2.641876       14.23664 
1 1 1 16  9  4  o 183.1191 5.083382 2874.358       158.9602 2830.494       228.7074 2915.350       221.0932 181.3230 7.386274 184.0916 7.032985 -2.768555      10.19902 
1 1 1 16  9  5  o 260.5707 31.28260 6730.189       1364.149 0.000000       0.000000 6730.189       1364.149 ?        ?        260.5707 31.28260 0.000000       31.28260 
1 1 1 16  9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  9  7  o 51.37218 7.344079 231.7557       62.59332 236.9064       97.41454 228.1338       81.68816 51.16972 11.43600 50.46840 9.831934 0.7013206      15.08142 
1 1 1 16  9  8  o 33.93563 9.526000 102.6124       57.46360 -22.52935      76.53551 264.3058       86.99773 22.72588 10.04041 54.42297 9.717559 -31.69708      13.97286 
1 1 1 16  9  9  o 65.08910 6.060383 367.2819       66.58711 342.6637       105.6810 383.4897       85.74922 61.95131 10.35501 66.21796 7.728603 -4.266651      12.92121 
1 1 1 16  9  10 o 231.0455 4.874198 4581.402       192.3103 4576.414       330.2858 4583.961       236.5421 229.7553 8.418262 230.8051 6.001520 -1.049744      10.33854 
1 1 1 16  9  11 o 41.80661 9.010071 158.0047       62.42839 53.86781       92.53093 245.0105       84.57823 30.88145 12.08453 52.10627 9.866582 -21.22482      15.60081 
1 1 1 16  9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  9  13 o 32.17025 9.699272 92.22218       57.70641 58.54640       89.97380 115.7553       75.21372 30.86071 11.96067 35.99744 11.11705 -5.136726      16.32932 
1 1 1 16  9  14 o 76.83119 5.466344 512.4113       71.25150 340.2588       112.2785 628.4826       92.19392 60.80265 11.22724 84.88304 6.407548 -24.08039      12.92701 
1 1 1 16  9  15 o 33.79458 9.300593 104.4753       55.36402 36.83245       88.84392 147.4194       70.78947 28.61644 11.62424 39.88208 10.31638 -11.26563      15.54190 
1 1 1 16  9  16 o 79.39537 5.181318 547.9634       69.86342 531.1615       129.3889 554.8777       83.00298 76.27782 10.18801 79.60947 6.153357 -3.331650      11.90207 
1 1 1 16  9  17 o 103.8270 4.828921 933.5031       85.61749 1060.307       149.8854 872.0892       104.3102 109.0107 8.109754 99.74314 6.154151 9.267555       10.18046 
1 1 1 16  9  18 o 56.34830 6.503195 282.0570       61.42724 188.2137       118.2009 316.7790       71.89872 43.92642 13.99012 59.49861 7.224610 -15.57219      15.74543 
1 1 1 16  9  19 o 109.4112 4.796966 1039.908       89.62521 826.1276       157.9847 1141.360       108.8333 94.49174 9.939857 114.2806 5.576830 -19.78885      11.39745 
1 1 1 16  10 0  o 215.6129 5.024031 3984.386       184.9818 3978.894       272.7102 3989.066       251.7523 214.9841 7.428362 215.3922 6.844496 -0.4080963     10.10088 
1 1 1 16  10 1  f 137.2751 4.718120 1614.491       110.6019 1589.888       161.3185 1636.313       151.9325 135.7754 6.981247 137.9963 6.447354 -2.220840      9.502957 
1 1 1 16  10 2  o 41.86917 7.858645 155.9454       54.12440 76.21523       73.53180 250.2210       79.95833 31.43572 11.05017 53.05984 9.155432 -21.62411      14.35019 
1 1 1 16  10 3  o 206.0771 15.74574 3789.246       549.9146 3061.461       974.3148 4129.472       666.1647 171.9791 34.37767 213.5007 18.45315 -41.52165      39.01722 
1 1 1 16  10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  10 6  o 87.81011 6.017304 665.4647       89.68530 673.2569       121.4166 656.1079       133.0483 87.93221 8.179689 86.58677 9.136143 1.345444       12.26281 
1 1 1 16  10 7  o 29.02177 9.885025 67.72432       58.66291 83.81699       74.45090 41.37281       95.27054 32.36879 11.13351 30.30671 12.13284 2.062080       16.46697 
1 1 1 16  10 8  o 170.6910 4.588889 2498.139       133.7581 2442.166       218.4870 2531.692       169.1637 168.1527 7.608864 171.6243 5.772003 -3.471512      9.550436 
1 1 1 16  10 9  o 210.2968 4.724957 3795.656       169.6807 3719.152       284.4211 3837.930       211.4266 207.1548 8.040161 211.1705 5.863063 -4.015610      9.950864 
1 1 1 16  10 10 o 199.4276 4.645373 3416.062       158.2005 3425.757       265.4219 3410.720       197.0218 198.6310 7.825063 198.9423 5.799428 -0.3113403     9.739865 
1 1 1 16  10 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  10 12 o 82.34479 5.346074 587.1414       74.76816 758.3738       118.8832 475.0912       96.16867 93.03130 7.548318 73.43125 7.788088 19.60005       10.84580 
1 1 1 16  10 13 o 95.32613 4.808100 785.0107       78.01632 708.8276       126.5527 831.7114       99.08395 89.50418 8.377366 97.82770 5.959575 -8.323517      10.28089 
1 1 1 16  10 14 o 126.2758 4.471120 1373.746       96.41364 1417.779       160.1648 1348.723       120.7401 127.0962 7.411752 124.7834 5.666212 2.312859       9.329525 
1 1 1 16  10 15 o 41.06982 8.556289 154.6016       58.06051 96.06889       92.39232 192.8016       74.63940 34.24866 12.34913 45.57371 9.875936 -11.32505      15.81250 
1 1 1 16  10 16 o 154.8570 4.370564 2071.461       115.5767 1879.538       196.5246 2172.938       142.9015 145.3960 7.945293 158.1806 5.290316 -12.78458      9.545424 
1 1 1 16  10 17 o 25.13133 9.143245 48.68842       50.81280 -68.73279      89.99731 103.6355       61.56424 21.57687 10.04459 33.42075 10.00519 -11.84389      14.17736 
1 1 1 16  10 18 o 41.41151 7.453769 156.5918       50.77234 197.2860       95.82142 140.7068       59.86722 44.82816 12.19391 38.66867 9.199845 6.159485       15.27510 
1 1 1 16  11 0  o 290.9903 15.23307 7527.163       754.3195 7169.826       1556.606 7636.830       862.3355 262.4176 35.65992 291.3603 17.41149 -28.94266      39.68362 
1 1 1 16  11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  11 4  o 108.1026 5.119453 1002.375       94.50651 1000.408       129.8588 1004.589       137.7991 107.5402 7.111437 107.6794 7.541575 -0.1392593     10.36571 
1 1 1 16  11 5  o 119.5823 5.092278 1226.662       103.9874 1328.419       144.0814 1116.031       150.2322 124.0307 6.828939 113.4493 7.802025 10.58138       10.36851 
1 1 1 16  11 6  o 66.88970 6.765144 389.2831       76.21248 314.5994       93.65706 535.6698       131.1229 59.46544 9.545989 77.81908 10.10567 -18.35365      13.90146 
1 1 1 16  11 7  o 155.7373 4.806488 2081.508       127.8269 1989.826       196.6356 2148.608       168.2212 151.5000 7.624988 157.9524 6.236668 -6.452347      9.850708 
1 1 1 16  11 8  o 57.02140 7.498623 286.2682       71.24581 190.7579       100.0653 384.4651       101.4629 45.60670 12.48406 65.76811 9.293049 -20.16141      15.56318 
1 1 1 16  11 9  o 57.83971 8.440109 297.4229       80.90827 267.1533       102.3315 347.8992       132.1447 53.94288 11.46242 61.24774 13.03469 -7.304863      17.35772 
1 1 1 16  11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  11 11 o 94.57935 5.190159 773.6756       83.50562 950.9751       129.0349 645.9122       109.5359 104.2689 7.292789 85.75881 7.556785 18.51013       10.50189 
1 1 1 16  11 12 o 151.6686 4.428689 1980.232       114.7025 1954.680       191.3630 1994.559       143.2972 149.3667 7.526613 151.8723 5.525315 -2.505615      9.336970 
1 1 1 16  11 13 f 55.63036 7.526985 275.7032       69.66862 270.5977       115.2824 278.6407       87.44273 53.30871 12.82076 55.24575 9.618224 -1.937038      16.02754 
1 1 1 16  11 14 o 87.86343 5.114211 670.6577       76.40225 570.6143       122.1346 734.9762       97.92925 79.50925 9.163055 91.59693 6.299088 -12.08768      11.11936 
1 1 1 16  11 15 o 93.01209 4.920393 751.8495       77.87421 730.7526       127.9112 764.2747       98.16331 90.20437 8.400434 93.30578 6.196055 -3.101410      10.43831 
1 1 1 16  11 16 o 42.19954 8.542420 164.6221       59.44672 144.4481       95.72651 177.2859       75.84367 39.06517 12.60574 43.20638 10.40388 -4.141205      16.34458 
1 1 1 16  11 17 o 51.40671 6.679300 236.7308       57.24903 230.1590       99.57003 239.9762       69.97121 48.42281 12.08096 51.14365 8.295943 -2.720833      14.65511 
1 1 1 16  11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  12 0  o 141.2599 13.38836 1771.136       319.1035 0.000000       0.000000 1771.136       319.1035 ?        ?        141.2599 13.38836 0.000000       13.38836 
1 1 1 16  12 1  o 165.7822 4.938630 2356.911       139.8126 2370.020       211.6700 2346.766       186.2164 165.7767 7.477113 165.1419 6.603264 0.6347809      9.975486 
1 1 1 16  12 2  o 199.8680 4.851272 3425.597       165.5773 3547.716       260.5576 3342.879       214.4441 202.7854 7.524285 197.1324 6.370217 5.652985       9.858728 
1 1 1 16  12 3  o 176.4222 5.245879 2671.356       158.0423 2677.883       220.9684 2664.521       226.1323 176.2005 7.343804 175.7133 7.536263 0.4872284      10.52268 
1 1 1 16  12 4  o 107.3019 5.130241 988.3995       94.00414 964.6699       129.3958 1014.921       136.7966 105.4876 7.226735 108.1617 7.451736 -2.674080      10.38047 
1 1 1 16  12 5  o 138.0598 5.389362 1638.205       127.0593 1601.715       171.8616 1682.191       188.6935 135.9166 7.432812 139.1404 7.974739 -3.223846      10.90152 
1 1 1 16  12 6  o 49.51652 9.447912 220.8791       76.97426 170.7533       95.83428 312.0056       129.2149 43.29371 12.35448 58.05268 13.31738 -14.75896      18.16551 
1 1 1 16  12 7  o 34.77674 11.32059 104.4794       77.09989 138.3644       90.09057 11.73849       149.0429 39.32883 12.17040 33.92701 14.50163 5.401825       18.93188 
1 1 1 16  12 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  12 9  o 34.45207 10.82413 105.2371       70.95821 132.3893       109.4776 85.56699       93.18089 39.32375 13.50223 33.67789 12.36193 5.645859       18.30649 
1 1 1 16  12 10 o 105.6955 4.937839 963.2491       89.12413 916.2573       136.5412 998.1321       117.6412 102.0319 7.898094 107.0352 6.466582 -5.003357      10.20767 
1 1 1 16  12 11 o 42.18061 9.229043 163.3605       64.62921 283.7029       93.35299 52.58941       89.56374 55.59379 10.20955 30.05005 11.84912 25.54374       15.64086 
1 1 1 16  12 12 o 14.17104 6.926640 -102.2237      55.54517 -86.04594      77.87793 -118.9746      79.24537 18.99626 8.998516 17.81655 8.606896 1.179716       12.45199 
1 1 1 16  12 13 o 74.68574 5.744133 487.9555       72.69776 440.6500       111.7473 522.6667       95.72307 69.43886 9.687810 76.72413 7.397724 -7.285271      12.18934 
1 1 1 16  12 14 o 52.52163 7.944499 249.9554       69.02764 334.0849       116.1218 203.9822       85.84048 59.03291 11.92950 46.23698 11.02668 12.79593       16.24502 
1 1 1 16  12 15 o 84.89821 5.325363 629.9371       76.81483 720.2776       121.7975 570.2717       98.98238 89.52483 8.053140 79.93672 7.332940 9.588112       10.89151 
1 1 1 16  12 16 o 63.95204 6.390140 363.5439       68.85150 376.0522       108.0209 354.9850       89.35477 63.13748 10.37966 62.20144 8.646133 0.9360390      13.50900 
1 1 1 16  13 0  o 72.34346 5.958773 453.0229       72.95879 502.8509       96.39041 386.1820       111.6397 75.95139 7.531121 65.82883 10.26609 10.12256       12.73226 
1 1 1 16  13 1  o 143.0484 4.809407 1755.793       117.4834 1770.517       176.2239 1744.014       157.6213 143.0268 7.238720 142.2821 6.487282 0.7447052      9.720283 
1 1 1 16  13 2  o 78.88660 5.392348 537.3316       72.20583 428.1469       101.3283 649.9719       102.9192 69.69855 8.703118 86.48472 7.029587 -16.78617      11.18746 
1 1 1 16  13 3  o 48.87046 7.924516 212.1684       63.86858 170.1055       81.08611 280.9182       103.6650 43.17038 10.97507 55.53976 11.31434 -12.36938      15.76282 
1 1 1 16  13 4  o 51.65248 8.468108 238.0370       72.10378 211.3485       95.41816 273.5630       110.0883 47.91816 11.75065 54.49722 12.14045 -6.579056      16.89581 
1 1 1 16  13 5  o 188.5416 5.022259 3059.018       161.6994 2973.703       252.7350 3118.143       210.3973 184.7868 8.009264 189.8606 6.489380 -5.073883      10.30827 
1 1 1 16  13 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  13 7  o 134.4840 5.521593 1561.438       126.8052 1598.755       170.1697 1514.845       190.1481 135.3030 7.392989 131.2086 8.532862 4.094376       11.29008 
1 1 1 16  13 8  o 162.4691 4.859072 2275.264       134.8112 2259.447       215.6888 2285.404       172.7013 160.6819 7.860652 162.3383 6.229779 -1.656372      10.02995 
1 1 1 16  13 9  o 41.18680 9.535877 156.2970       65.74599 75.19605       91.13866 244.2956       94.93525 32.29740 12.15484 51.19971 11.17219 -18.90231      16.50933 
1 1 1 16  13 10 o 89.74878 5.246123 699.1932       80.05240 695.7812       122.5711 701.7312       105.7128 88.49889 8.203796 89.35410 6.983565 -0.8552094     10.77369 
1 1 1 16  13 11 o 51.57533 8.263778 240.7475       70.32431 260.6101       113.2161 228.2695       89.73474 52.00309 12.82853 49.25900 10.95138 2.744087       16.86724 
1 1 1 16  13 12 o 30.19073 10.52508 77.04769       66.64392 92.53999       87.78059 55.96704       102.3959 33.34892 12.03509 31.21546 12.54945 2.133461       17.38770 
1 1 1 16  13 13 o 58.76633 7.110363 309.0435       69.90303 232.5619       101.1951 378.8457       96.67533 48.86145 12.17291 64.30053 9.055202 -15.43908      15.17157 
1 1 1 16  13 14 o 69.29533 6.432416 425.6674       75.24857 440.4081       125.2718 417.3462       94.12100 68.13506 11.15262 67.79744 8.303184 0.3376160      13.90409 
1 1 1 16  13 15 o 44.79322 8.470978 186.4220       62.42224 248.7925       97.95840 143.7801       80.99715 50.39664 11.62017 38.49874 11.46500 11.89790       16.32405 
1 1 1 16  14 0  o 28.36847 10.24642 59.93510       63.64701 65.07378       79.89922 51.01226       105.2855 30.59925 11.40709 31.98184 12.77191 -1.382593      17.12435 
1 1 1 16  14 1  o 81.55884 6.251850 577.7678       86.40971 492.7816       123.9393 658.1500       120.5353 74.26324 10.02970 86.55886 8.254600 -12.29562      12.98973 
1 1 1 16  14 2  o 179.1584 4.729053 2760.246       144.6816 2721.892       225.3927 2787.124       188.6870 176.9753 7.458047 179.5865 6.152709 -2.611130      9.668418 
1 1 1 16  14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  14 5  o 59.18183 7.539591 310.1933       74.46642 229.9239       99.51218 412.3440       112.2591 49.61773 11.89828 67.54239 10.03820 -17.92466      15.56710 
1 1 1 16  14 6  o 66.55130 6.740928 389.1303       75.55190 200.9670       101.9850 618.0007       112.4770 46.19841 12.58553 83.60991 7.974448 -37.41150      14.89924 
1 1 1 16  14 7  o 52.56587 8.431249 249.0440       73.12468 287.8112       96.10577 195.7420       112.6909 55.89087 10.45378 45.48784 13.51808 10.40302       17.08859 
1 1 1 16  14 8  o 57.12801 7.706841 291.4954       73.26550 306.2874       99.16239 273.7138       108.7224 57.59098 10.46864 53.75479 12.13196 3.836189       16.02426 
1 1 1 16  14 9  o 111.5413 5.200436 1077.954       99.05524 964.3687       141.7257 1186.429       138.5005 104.1848 8.027892 116.1351 7.016654 -11.95027      10.66210 
1 1 1 16  14 10 o 46.00398 8.974736 195.2715       67.97318 147.9706       94.10999 246.8600       98.28293 39.62146 12.46830 50.83426 11.58050 -11.21281      17.01665 
1 1 1 16  14 11 o 42.93607 9.008500 171.5456       63.94363 104.5465       92.96969 231.6928       88.08760 34.73850 12.40252 49.35869 10.75482 -14.62019      16.41611 
1 1 1 16  14 12 o 80.18900 6.277592 567.9203       85.27641 514.8184       131.3926 606.5674       112.0920 74.05549 10.70022 82.00135 8.111178 -7.945862      13.42706 
1 1 1 16  14 13 o 90.75659 5.393871 721.8427       83.21899 576.6845       125.0313 837.2935       111.5055 78.99132 9.457126 97.06921 6.769245 -18.07789      11.63013 
1 1 1 16  14 14 o 21.61644 9.609613 -14.90527      71.17314 -44.06896      119.0387 1.320824       88.79202 26.24252 11.97348 25.18179 10.97883 1.060734       16.24496 
1 1 1 16  15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  15 2  o 128.9890 5.318996 1436.969       117.1613 1402.081       182.1742 1461.578       153.0002 126.0374 8.514120 129.3944 6.949728 -3.356972      10.99040 
1 1 1 16  15 3  o 29.14373 11.41297 50.58773       82.57925 17.40291       107.4638 98.43978       129.0454 29.35455 12.42178 37.32793 14.36411 -7.973381      18.99022 
1 1 1 16  15 4  o 55.92578 7.570164 278.6659       70.43875 263.4811       95.27007 296.9758       104.6154 53.27211 10.84136 56.48859 11.24047 -3.216484      15.61676 
1 1 1 16  15 5  o 93.52454 5.441355 760.1884       86.52736 789.7466       124.4076 732.4919       120.4258 94.48177 7.779912 90.95071 7.830076 3.531052       11.03798 
1 1 1 16  15 6  o 50.30904 8.283227 229.0617       68.68468 174.9915       93.79851 291.5727       100.8545 42.96918 12.20893 55.88380 10.95998 -12.91461      16.40668 
1 1 1 16  15 7  o 19.83475 9.082108 -41.63481      69.28831 -151.6751      98.04267 68.16245       97.93436 19.49415 9.454624 31.94210 12.45097 -12.44796      15.63383 
1 1 1 16  15 8  o 37.30951 10.17169 130.8959       66.58647 101.7023       88.79562 168.4041       100.6494 34.33714 12.13560 41.88221 12.84789 -7.545074      17.67318 
1 1 1 16  15 9  o 49.73434 8.351696 226.5734       68.41624 290.8196       95.68929 159.3827       97.85748 55.53641 10.47391 40.67221 12.70036 14.86419       16.46214 
1 1 1 16  15 10 o 62.65075 6.953697 350.9424       73.14003 359.6799       103.5910 342.2571       103.2810 61.95039 10.14324 60.26311 10.41273 1.687275       14.53652 
1 1 1 16  15 11 o 30.54235 10.02338 84.47298       60.39711 119.0813       90.04692 56.17106       81.43041 35.86170 12.24686 28.89514 11.32842 6.966566       16.68289 
1 1 1 16  15 12 o 53.04457 7.879936 257.7703       69.20908 232.6215       113.6384 272.5983       87.25871 47.70821 13.39745 53.59510 9.898792 -5.886894      16.65767 
1 1 1 16  16 0  o 124.5274 6.756898 1357.131       143.1481 0.000000       0.000000 1357.131       143.1481 ?        ?        124.5274 6.756898 0.000000       6.756898 
1 1 1 16  16 1  o 34.91949 11.55195 108.1328       80.16396 117.9145       107.8622 96.06292       119.8156 37.37525 13.35739 36.22923 13.86483 1.146023       19.25236 
1 1 1 16  16 2  o 79.45206 6.626888 554.9625       89.09143 433.2729       130.3972 661.4997       122.0092 68.09669 11.63113 86.07118 8.408445 -17.97449      14.35218 
1 1 1 16  16 3  o 74.14969 7.250250 487.1322       90.62991 345.2914       127.1601 633.5706       129.2045 60.01406 12.79846 83.79877 9.179132 -23.78471      15.74982 
1 1 1 16  16 4  o 63.18045 8.625262 361.2495       90.62744 376.9734       143.8669 350.9048       116.6911 62.01635 13.92565 60.92168 11.64109 1.094662       18.15045 
1 1 1 16  16 5  o 57.04379 9.236891 299.0338       86.90168 362.3313       121.7572 233.3083       124.0705 61.55250 12.01490 48.51724 14.12106 13.03526       18.54082 
1 1 1 16  16 6  o 43.64595 9.335957 178.1195       67.47821 180.9417       91.02483 174.6763       100.5403 43.21061 11.93931 42.39098 12.80746 0.8196297      17.50938 
1 1 1 16  16 7  o 67.34291 6.584453 403.0461       74.75171 314.8887       104.1056 496.8734       107.4012 57.45521 11.01147 73.83038 8.684681 -16.37516      14.02413 
1 1 1 16  16 8  o 55.30428 8.259790 279.9211       75.61569 380.9924       115.0159 202.9801       100.3513 63.18663 11.06241 45.26644 12.54695 17.92019       16.72731 
1 1 1 16  16 9  o 42.40463 9.972018 171.8194       70.99768 173.7581       101.2639 169.9450       99.56931 41.87063 12.89416 41.46392 12.78862 0.4067078      18.16063 
1 1 1 16  16 10 o 46.50002 9.383665 204.8653       71.94315 291.0642       110.3238 141.0887       94.89615 54.02328 12.24193 38.06926 12.56748 15.95403       17.54442 
1 1 1 16  16 11 o 22.49781 10.42931 -59.03308      95.45127 -73.91237      123.0676 -36.56886      151.2162 25.24551 11.75028 29.69850 13.52888 -4.452993      17.91925 
1 1 1 16  17 0  o 52.03524 10.11926 252.8867       86.68066 80.04723       134.0394 377.1223       113.6407 35.64663 14.34857 63.45541 10.87882 -27.80879      18.00639 
1 1 1 16  17 1  o 34.02191 12.46696 95.60600       94.71344 20.90823       130.6497 178.3460       137.5030 31.45210 13.51400 43.34809 15.11789 -11.89600      20.27754 
1 1 1 16  17 2  o 40.68689 13.34627 158.2066       107.0847 0.000000       0.000000 158.2066       107.0847 ?        ?        40.68689 13.34627 0.000000       13.34627 
1 1 1 16  17 3  o 77.33739 7.462769 535.8147       97.33406 447.4990       151.7319 597.5696       126.8801 67.05003 13.71428 80.65281 9.388048 -13.60278      16.61977 
1 1 1 16  17 4  o 37.10687 12.51623 129.1157       94.04025 168.9385       136.8656 93.50140       129.4315 41.99041 15.04224 35.74289 14.19643 6.247520       20.68351 
1 1 1 16  17 5  f 72.01784 7.782476 468.9059       94.18877 397.6653       129.3026 549.4413       137.4791 63.69732 12.33298 76.13245 10.88444 -12.43513      16.44912 
1 1 1 16  17 6  o 50.46465 10.07727 242.2002       83.80212 279.3195       114.1898 198.8725       123.3701 52.81674 12.79547 44.29300 14.31245 8.523743       19.19818 
1 1 1 16  17 7  o 25.02231 10.38088 25.64144       72.82139 20.07289       97.26481 32.74423       109.8498 27.44310 11.72215 29.59240 12.54270 -2.149307      17.16764 
1 1 1 16  17 8  o 22.99037 9.854122 8.311751       69.16302 73.48713       99.94752 -51.57475      95.80644 31.64219 12.50436 22.89379 10.55487 8.748402       16.36351 
1 1 1 16  18 0  o 81.73559 6.355446 592.7453       88.00977 509.7620       129.9169 663.1260       119.6457 73.31557 10.69149 85.37409 8.312129 -12.05852      13.54251 
1 1 1 16  18 1  o 58.65172 8.249154 315.5939       80.33784 359.5303       119.0612 278.8683       108.8535 60.56516 11.93628 52.98058 12.27255 7.584583       17.11988 
1 1 1 16  18 2  o 21.66048 9.661310 -17.53924      72.56986 38.77313       97.85254 -86.36747      108.1816 28.90115 12.01535 23.03895 10.81822 5.862206       16.16795 
1 1 1 16  18 3  o 31.44385 11.42179 84.86954       79.24899 29.72660       123.8132 123.1399       103.1462 30.69479 13.17122 36.47218 13.05920 -5.777393      18.54787 
1 1 1 16  18 4  o 36.33664 13.19831 122.2599       105.8164 0.000000       0.000000 122.2599       105.8164 ?        ?        36.33664 13.19831 0.000000       13.19831 
1 1 1 16  18 5  o 59.60370 8.880345 332.2423       87.62713 236.8347       129.8100 412.1135       118.7714 47.09866 14.61460 65.03303 11.09285 -17.93437      18.34769 
1 1 1 16  18 6  o 44.32912 10.96639 194.6789       82.55778 144.7581       127.3254 230.8912       108.4432 38.72270 14.40695 47.20683 13.02684 -8.484135      19.42315 
1 1 1 16  19 0  o 38.84776 10.33301 147.8812       69.74123 188.4714       115.5906 124.6475       87.45216 42.55539 13.86170 35.82527 12.06992 6.730122       18.38015 
1 1 1 16  19 1  o 41.43647 10.15461 168.1849       71.29293 272.3671       99.67539 59.06080       102.0121 52.18078 11.49630 30.38645 12.41224 21.79434       16.91829 
1 1 1 16  19 2  o 30.98249 10.30988 90.01429       63.81788 70.14721       96.20432 105.6269       85.28354 30.79587 12.23685 33.56547 11.88993 -2.769600      17.06198 
1 1 1 17  0  0  o 53.17214 11.77203 274.8342       93.46065 274.8342       93.46065 274.8342       93.46065 53.17214 11.77203 53.17214 11.77203 0.000000       0.000000 
1 1 1 17  0  1  o 312.7388 8.608282 8391.393       458.9395 8391.393       458.9395 8391.393       458.9395 312.7388 8.608282 312.7388 8.608282 0.000000       0.000000 
1 1 1 17  0  2  o 142.5358 7.013714 1750.531       169.7732 1750.531       169.7732 1750.531       169.7732 142.5358 7.013714 142.5358 7.013714 0.000000       0.000000 
1 1 1 17  0  3  o 86.45370 6.664511 650.6742       97.04601 650.6742       97.04601 650.6742       97.04601 86.45370 6.664511 86.45370 6.664511 0.000000       0.000000 
1 1 1 17  0  4  o 60.54833 9.383207 335.8810       90.08086 335.8810       90.08086 335.8810       90.08086 60.54833 9.383207 60.54833 9.383207 0.000000       0.000000 
1 1 1 17  0  5  o 20.24936 11.31233 47.63206       58.44476 47.63206       58.44476 47.63206       58.44476 20.24936 11.31233 20.24936 11.31233 0.000000       0.000000 
1 1 1 17  0  6  o 33.51650 12.07326 127.7357       63.29039 127.7357       63.29039 127.7357       63.29039 33.51650 12.07326 33.51650 12.07326 0.000000       0.000000 
1 1 1 17  0  7  o 81.32726 6.002578 575.1043       82.31963 575.1043       82.31963 575.1043       82.31963 81.32726 6.002578 81.32726 6.002578 0.000000       0.000000 
1 1 1 17  0  8  o 121.5572 5.123847 1270.461       105.9304 1270.461       105.9304 1270.461       105.9304 121.5572 5.123847 121.5572 5.123847 0.000000       0.000000 
1 1 1 17  0  9  o 96.32959 5.951509 803.2269       97.04506 803.2269       97.04506 803.2269       97.04506 96.32959 5.951509 96.32959 5.951509 0.000000       0.000000 
1 1 1 17  0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0  11 o 27.52042 14.03522 96.11872       83.05196 96.11872       83.05196 96.11872       83.05196 27.52042 14.03522 27.52042 14.03522 0.000000       0.000000 
1 1 1 17  0  12 o 313.8471 7.031109 8454.941       376.4016 8454.941       376.4016 8454.941       376.4016 313.8471 7.031109 313.8471 7.031109 0.000000       0.000000 
1 1 1 17  0  13 o 17.72400 11.73353 -21.79366      93.03110 -21.79366      93.03110 -21.79366      93.03110 17.72400 11.73353 17.72400 11.73353 0.000000       0.000000 
1 1 1 17  0  14 o 67.91706 8.862690 416.6429       97.94696 416.6429       97.94696 416.6429       97.94696 67.91706 8.862690 67.91706 8.862690 0.000000       0.000000 
1 1 1 17  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0  17 o 41.67836 14.65445 199.4060       94.62023 199.4060       94.62023 199.4060       94.62023 41.67836 14.65445 41.67836 14.65445 0.000000       0.000000 
1 1 1 17  0  18 o 309.6648 6.991442 8285.031       369.2839 8285.031       369.2839 8285.031       369.2839 309.6648 6.991442 309.6648 6.991442 0.000000       0.000000 
1 1 1 17  0  19 o 215.5718 5.866910 4011.719       215.6133 4011.719       215.6133 4011.719       215.6133 215.5718 5.866910 215.5718 5.866910 0.000000       0.000000 
1 1 1 17  0  20 o 71.97629 8.829032 471.4116       104.1450 471.4116       104.1450 471.4116       104.1450 71.97629 8.829032 71.97629 8.829032 0.000000       0.000000 
1 1 1 17  0  21 o 28.11375 15.02559 105.8663       98.48501 105.8663       98.48501 105.8663       98.48501 28.11375 15.02559 28.11375 15.02559 0.000000       0.000000 
1 1 1 17  1  0  o 81.41015 5.676898 569.7937       78.42682 682.0993       114.9112 471.8658       107.3037 88.88892 7.644674 73.65790 8.698763 15.23102       11.58057 
1 1 1 17  1  1  o 90.67700 5.019009 705.4412       77.41462 607.5364       108.2341 807.9905       110.7716 83.83635 7.644175 96.89123 6.736762 -13.05488      10.18908 
1 1 1 17  1  2  o 215.7918 5.403905 3985.111       199.1336 4010.678       280.2946 3959.055       282.9591 216.2414 7.590564 214.8294 7.713083 1.411972       10.82166 
1 1 1 17  1  3  o 182.1557 4.184677 2837.418       130.1687 2599.661       210.3663 2984.930       165.6996 174.1093 7.075420 186.7532 5.195789 -12.64389      8.778256 
1 1 1 17  1  4  o 130.8332 4.253333 1464.061       95.02752 1494.963       151.7137 1444.110       121.9031 131.8621 6.760293 129.8635 5.496998 1.998581       8.713125 
1 1 1 17  1  5  o 90.76554 4.315707 704.7687       66.89210 684.0644       106.0781 718.4369       86.18853 89.00764 7.036426 91.41785 5.547218 -2.410217      8.960073 
1 1 1 17  1  6  o 130.7449 4.061361 1462.281       90.67725 1404.660       140.9051 1503.012       118.4677 127.7976 6.477746 132.4716 5.236910 -4.674065      8.329851 
1 1 1 17  1  7  o 74.62159 4.807255 478.7399       60.93215 514.9847       91.03063 449.3189       82.01498 77.12393 6.987762 72.03339 6.745981 5.090538       9.712728 
1 1 1 17  1  8  o 109.7612 3.738279 1030.519       70.06842 900.8666       99.37552 1158.701       98.81032 102.3438 5.708861 116.3064 4.975042 -13.96259      7.572459 
1 1 1 17  1  9  o 126.5460 3.613652 1369.771       78.09022 1369.352       109.9068 1370.199       110.9734 126.4150 5.091246 126.4499 5.139235 -0.3482819E-01 7.234122 
1 1 1 17  1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1  11 o 35.04935 8.566133 110.1924       50.83704 73.58811       69.42532 152.5102       74.64722 30.78032 10.74180 41.15885 10.56656 -10.37853      15.06779 
1 1 1 17  1  12 o 72.74544 5.119156 455.8928       63.18716 407.8278       89.80578 503.0155       88.92106 68.35300 7.835379 76.16656 6.911839 -7.813560      10.44829 
1 1 1 17  1  13 o 72.87400 5.550869 458.5797       68.55782 519.6671       98.25872 400.6293       95.70258 77.25935 7.543889 67.54961 8.483720 9.709740       11.35270 
1 1 1 17  1  14 o 201.5073 4.644791 3483.820       159.8302 3151.768       263.4753 3677.159       201.0469 190.7296 8.089465 206.7724 5.693810 -16.04276      9.892366 
1 1 1 17  1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  1  16 o 136.6929 4.113025 1603.885       96.00842 1777.820       139.4804 1447.274       132.3527 143.5668 5.689280 129.4644 5.986602 14.10239       8.258772 
1 1 1 17  1  17 o 138.9419 5.865569 1669.349       139.1699 1724.278       242.4261 1642.349       169.9671 139.0715 10.28084 137.1655 7.282439 1.906052       12.59879 
1 1 1 17  1  18 o 102.0910 4.709142 898.3815       82.09772 945.5234       118.0163 854.1764       114.2812 104.0396 6.677925 98.81955 6.813840 5.220009       9.540603 
1 1 1 17  1  19 o 143.2270 4.232344 1767.851       103.5161 1848.234       160.4333 1710.517       135.4940 145.5599 6.454326 140.3791 5.652180 5.180847       8.579363 
1 1 1 17  1  20 o 72.52460 5.680539 460.3980       69.78973 477.9687       116.3799 450.5313       87.21032 72.29502 9.669103 71.18575 7.276480 1.109276       12.10119 
1 1 1 17  1  21 o 65.17021 7.064858 378.7090       77.36488 413.1392       115.8472 350.9928       103.9398 66.47633 10.55806 61.30552 10.29323 5.170807       14.74528 
1 1 1 17  2  0  o 121.8451 5.323014 1270.024       110.7561 1222.625       144.7163 1337.040       172.0789 119.2481 7.139471 124.5993 8.132013 -5.351227      10.82135 
1 1 1 17  2  1  o 286.7232 5.195368 7033.439       254.3789 6774.335       434.1923 7168.854       313.8902 280.8205 9.054229 289.3268 6.353121 -8.506348      11.06080 
1 1 1 17  2  2  o 282.8045 4.989967 6842.796       240.9828 6950.839       399.7383 6781.113       302.0389 284.5290 8.227110 281.3582 6.286391 3.170837       10.35394 
1 1 1 17  2  3  o 158.0873 4.213132 2137.306       113.7376 1994.513       175.8333 2240.036       149.1410 152.5226 6.750952 161.7583 5.399191 -9.235748      8.644456 
1 1 1 17  2  4  o 180.2599 4.131489 2779.060       127.1767 2523.492       205.2702 2938.275       162.0187 171.5022 7.008972 185.2685 5.121082 -13.76633      8.680505 
1 1 1 17  2  5  o 233.8992 4.456161 4680.980       177.9883 4603.526       289.6511 4727.971       225.6093 231.5448 7.325516 234.9249 5.623749 -3.380096      9.235245 
1 1 1 17  2  6  o 217.8949 4.162973 4061.983       154.9004 3677.487       253.5372 4290.981       195.6645 206.9174 7.175342 223.8379 5.118898 -16.92043      8.814117 
1 1 1 17  2  7  o 146.3887 3.916136 1833.215       97.89652 1757.378       157.4835 1880.977       124.9779 143.0967 6.444714 148.2003 4.938353 -5.103622      8.119216 
1 1 1 17  2  8  o 103.9285 4.392312 924.5844       77.95248 843.4378       121.0813 982.0273       101.8732 98.79044 7.227452 106.8787 5.601193 -8.088226      9.143819 
1 1 1 17  2  9  o 217.4892 18.82140 4264.407       692.1330 4455.186       955.6572 4053.938       1003.761 217.0795 26.31786 204.4384 29.61429 12.64117       39.61863 
1 1 1 17  2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2  11 o 102.6010 4.241118 901.2061       74.30769 822.3710       114.2998 958.9164       97.79408 97.55901 6.905440 105.6066 5.441243 -8.047600      8.791599 
1 1 1 17  2  12 o 123.3702 4.122743 1303.031       86.85569 1236.548       130.0644 1356.542       116.6866 119.7916 6.381142 125.7540 5.433723 -5.962334      8.381188 
1 1 1 17  2  13 o 99.37546 5.601776 850.8081       94.67431 790.7925       118.2767 957.8349       157.9477 95.48918 7.308926 104.7760 8.912388 -9.286842      11.52610 
1 1 1 17  2  14 o 105.4559 4.715248 954.4752       84.91363 924.4398       122.7570 982.0316       117.5821 103.2327 7.004953 106.5289 6.494581 -3.296181      9.552431 
1 1 1 17  2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  2  16 o 78.01189 5.270000 526.6328       69.79417 383.5252       99.96633 662.7327       97.48804 65.54788 9.182898 87.25060 6.591703 -21.70271      11.30381 
1 1 1 17  2  17 o 123.3175 4.202435 1307.171       88.49682 1421.432       133.0813 1216.589       118.4921 128.1265 6.082417 118.5969 5.850782 9.529602       8.439636 
1 1 1 17  2  18 o 114.1911 4.428196 1122.997       86.34972 1197.545       129.3025 1062.988       116.0100 117.1767 6.487229 110.4887 6.173278 6.687996       8.955083 
1 1 1 17  2  19 o 67.76949 6.120543 403.0231       70.06705 343.5689       109.1291 444.7221       91.39288 60.76546 10.91809 70.68404 7.695994 -9.918583      13.35788 
1 1 1 17  2  20 o 16.95290 7.832640 -39.33813      53.18017 43.68432       91.03935 -82.34122      65.52110 29.11430 11.78784 16.92447 8.083642 12.18983       14.29330 
1 1 1 17  2  21 o 18.79671 8.715744 -49.97182      66.72250 -245.4035      107.0619 74.13616       85.31731 17.99652 8.946811 31.17172 11.75424 -13.17520      14.77186 
1 1 1 17  3  0  o 398.8485 6.016432 13618.48       409.7783 13187.39       683.3037 13860.59       512.0797 391.5180 10.22022 402.0956 7.457724 -10.57755      12.65190 
1 1 1 17  3  1  o 241.9685 4.645753 5007.695       191.9627 4874.709       325.8696 5078.367       237.5552 238.3301 8.006875 243.5627 5.711523 -5.232620      9.835219 
1 1 1 17  3  2  o 153.2384 3.904228 2007.653       102.1656 2088.168       162.1833 1954.683       131.5474 156.1319 6.082930 151.1322 5.097104 4.999710       7.936152 
1 1 1 17  3  3  o 141.2761 3.853378 1706.578       92.96345 1835.153       148.7985 1624.261       119.0593 146.3574 5.953629 137.7559 5.061174 8.601501       7.814165 
1 1 1 17  3  4  o 160.0703 4.150849 2191.595       113.4618 2072.073       184.9028 2263.781       143.6963 155.3952 6.967932 162.6056 5.174973 -7.210373      8.679425 
1 1 1 17  3  5  o 50.13008 6.312095 218.8795       52.83683 204.6554       73.22258 234.3320       76.31867 47.93362 9.280828 51.42236 9.020077 -3.488739      12.94201 
1 1 1 17  3  6  o 109.1230 4.083651 1018.754       76.09687 931.0416       115.9999 1085.016       100.8234 103.9517 6.568460 112.5431 5.246147 -8.591484      8.406350 
1 1 1 17  3  7  o 66.38635 5.265043 379.9752       59.19773 409.6041       82.71839 348.8691       84.75523 68.67268 7.158929 63.16514 8.039779 5.507538       10.76514 
1 1 1 17  3  8  o 171.6256 4.117204 2520.763       120.6664 2438.310       196.4322 2570.733       152.9203 168.4579 6.828407 173.2039 5.170179 -4.746017      8.564922 
1 1 1 17  3  9  o 33.13108 14.47028 -25.30876      154.8597 -90.25834      183.7990 133.6205       287.5126 33.38107 15.09087 52.10682 21.00035 -18.72574      25.86019 
1 1 1 17  3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3  11 o 226.4925 4.744637 4395.094       183.5096 4477.431       311.4660 4351.315       227.1154 227.8858 8.003714 225.1499 5.907081 2.735870       9.947514 
1 1 1 17  3  12 f 270.4673 6.374177 6287.769       294.4020 6706.853       414.0693 5859.334       418.6632 278.5358 8.705426 260.0664 9.427113 18.46942       12.83179 
1 1 1 17  3  13 o 40.59328 8.022788 147.3355       53.64203 198.0353       79.54780 105.0542       72.64397 46.79899 10.23853 34.81561 10.95417 11.98338       14.99404 
1 1 1 17  3  14 o 268.9477 4.661697 6209.437       214.0986 6194.393       309.7084 6223.207       296.2987 267.8224 6.771802 268.5809 6.460300 -0.7585144     9.359101 
1 1 1 17  3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3  16 o 46.85128 7.146403 194.7858       55.36557 240.7215       82.02271 156.3384       75.03991 51.51263 9.679740 41.23981 10.59807 10.27282       14.35328 
1 1 1 17  3  17 o 58.79516 6.787601 304.2725       66.89684 373.6569       97.22925 241.9005       92.18502 64.54619 9.071532 51.16329 10.88562 13.38290       14.17002 
1 1 1 17  3  18 o 89.80235 5.239295 699.5856       79.99685 583.5560       129.8902 770.4922       101.5395 80.46043 9.645760 93.91351 6.369133 -13.45308      11.55883 
1 1 1 17  3  19 o 32.65731 9.621466 97.73047       57.28838 74.33557       95.66754 110.8100       71.53199 32.33794 12.38592 34.81437 10.85641 -2.476421      16.47035 
1 1 1 17  3  20 o 98.51630 6.953616 857.2003       116.2313 736.8386       306.1737 877.4670       125.6364 80.24134 21.78451 99.43591 7.453172 -19.19456      23.02422 
1 1 1 17  3  21 o 39.32746 9.647035 145.9506       64.29716 292.3183       104.1441 55.79647       81.73438 55.18736 11.42698 29.03349 11.35869 26.15387       16.11197 
1 1 1 17  4  0  o 151.8744 5.110843 1973.592       132.5498 2045.445       182.6362 1893.623       192.6738 154.4785 6.923358 148.3804 7.629855 6.098099       10.30279 
1 1 1 17  4  1  o 88.32931 4.480413 669.0512       67.35979 704.3325       92.01730 628.3159       98.87413 90.48526 5.988975 85.33666 6.842473 5.148598       9.093253 
1 1 1 17  4  2  o 67.81653 5.390424 396.2387       61.91021 411.4393       85.98410 379.8748       89.21371 68.84190 7.432045 66.01235 8.083030 2.829544       10.98047 
1 1 1 17  4  3  o 138.8120 4.054276 1647.974       96.10414 1458.415       144.8064 1797.192       128.4776 130.4139 6.502226 144.8829 5.192878 -14.46906      8.321354 
1 1 1 17  4  4  f 116.2785 4.019597 1156.460       79.81483 1192.700       124.1331 1130.919       104.2126 117.7839 6.193377 114.9123 5.310699 2.871643       8.158519 
1 1 1 17  4  5  o 129.8244 3.821329 1441.562       84.71745 1298.190       130.6042 1545.706       111.3121 122.8664 6.245308 134.3614 4.851387 -11.49507      7.908213 
1 1 1 17  4  6  o 39.46973 7.711689 138.5638       50.11367 114.9172       71.05123 161.9726       70.69298 36.16828 10.73054 42.45621 9.928017 -6.287930      14.61882 
1 1 1 17  4  7  o 158.8463 4.022545 2159.047       109.1138 2239.590       178.4291 2110.935       137.9049 161.5063 6.469552 156.9590 5.145075 4.547333       8.266008 
1 1 1 17  4  8  o 124.6013 3.876303 1328.411       82.47881 1390.279       134.3009 1290.947       104.5092 127.2635 6.179782 122.7473 4.985868 4.516251       7.940314 
1 1 1 17  4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  4  10 o 259.1523 6.149989 5766.024       272.1643 5793.384       381.3968 5737.636       388.4984 259.0800 8.620677 257.7636 8.826036 1.316315       12.33754 
1 1 1 17  4  11 o 120.7175 4.290917 1247.853       88.45496 1151.792       141.7792 1309.073       113.1846 115.4528 7.227692 123.5432 5.364963 -8.090393      9.001242 
1 1 1 17  4  12 o 62.24053 5.786206 335.5593       60.79504 341.2791       92.39753 331.1925       80.73261 62.16697 8.962549 61.45657 7.873754 0.7103958      11.92993 
1 1 1 17  4  13 o 123.1845 4.451611 1301.237       93.64295 1492.822       156.5350 1194.463       116.8596 131.3447 7.004353 117.8445 5.807014 13.50012       9.098482 
1 1 1 17  4  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  4  15 o 111.8059 4.560382 1074.165       87.06985 1027.134       144.5867 1100.925       109.0627 108.3845 7.865516 112.8549 5.677315 -4.470444      9.700424 
1 1 1 17  4  16 o 106.0189 4.486156 966.6868       81.21935 868.9268       134.6603 1022.585       101.8254 99.43848 7.997822 108.7086 5.503099 -9.270142      9.708206 
1 1 1 17  4  17 o 139.4071 4.581509 1673.766       109.0675 1861.574       183.7225 1571.557       135.5345 145.8392 7.401367 134.7051 5.892017 11.13416       9.460238 
1 1 1 17  4  18 o 42.54761 8.648932 165.5473       60.69895 122.8824       99.19234 191.0874       76.74567 37.44339 12.85258 45.34587 10.16254 -7.902481      16.38493 
1 1 1 17  4  19 o 55.62523 6.824544 275.0284       63.46592 327.8972       105.1190 244.7023       79.61390 59.24404 10.78791 51.53760 9.392179 7.706440       14.30356 
1 1 1 17  4  20 o 19.62725 8.564447 -6.409793      54.13625 -186.2833      96.55904 76.05044       65.37800 18.13267 8.917903 29.95600 10.42569 -11.82333      13.71947 
1 1 1 17  4  21 o 36.65384 12.29690 124.9464       90.76844 -132.6237      325.2544 146.7000       94.52377 39.63609 18.65785 39.12647 12.51592 0.5096169      22.46694 
1 1 1 17  5  0  o 154.5050 4.586074 2042.164       121.0000 1990.711       165.3490 2101.483       177.5405 152.4120 6.353027 156.5684 6.640356 -4.156418      9.189955 
1 1 1 17  5  1  o 203.4083 5.401369 3542.788       187.6180 3611.871       264.4142 3472.738       266.2592 205.1042 7.549325 201.0844 7.753973 4.019836       10.82203 
1 1 1 17  5  2  o 156.6944 4.340235 2100.499       116.1365 2082.066       177.8999 2114.188       153.3127 155.7979 6.686704 157.0924 5.715065 -1.294464      8.796247 
1 1 1 17  5  3  o 225.0005 4.653135 4332.753       178.7850 4051.862       291.8347 4501.510       226.2029 217.1090 7.871495 229.1938 5.779541 -12.08484      9.765425 
1 1 1 17  5  4  o 128.5464 4.193200 1413.826       92.04655 1482.567       144.1186 1366.467       119.6237 131.4507 6.420300 126.2766 5.547437 5.174080       8.484945 
1 1 1 17  5  5  o 146.7325 4.121783 1842.237       103.2793 1821.115       166.8803 1855.350       131.4850 145.6344 6.710257 147.1584 5.232257 -1.524002      8.509058 
1 1 1 17  5  6  o 112.6748 4.261867 1086.593       82.00278 1048.706       127.3672 1113.417       107.1695 110.2840 6.796166 113.9657 5.506748 -3.681725      8.747122 
1 1 1 17  5  7  o 81.09659 4.563694 564.9404       62.94365 596.4831       95.73608 540.9239       83.53723 83.03979 6.811272 79.13840 6.231881 3.901390       9.231997 
1 1 1 17  5  8  o 76.54135 18.13316 543.6367       233.3728 474.2357       270.9191 743.2627       459.4787 71.43337 20.88843 87.99135 27.52739 -16.55798      34.55552 
1 1 1 17  5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  5  10 o 66.12865 5.297609 377.3807       59.32120 350.5292       91.25143 397.0342       78.06844 63.13335 8.694715 67.60534 6.857155 -4.471989      11.07333 
1 1 1 17  5  11 o 84.48893 4.868106 613.9021       69.93900 681.4900       109.9983 568.0369       90.61356 88.64996 7.331977 81.00826 6.607878 7.641701       9.870255 
1 1 1 17  5  12 o 145.7356 4.465209 1820.589       111.1244 2040.748       183.5725 1693.253       139.6097 153.8589 6.986875 140.3534 5.824931 13.50554       9.096497 
1 1 1 17  5  13 o 26.48199 9.682773 50.12688       57.08855 100.6713       86.84930 11.67197       75.75405 35.05010 12.02663 25.10843 10.51633 9.941671       15.97602 
1 1 1 17  5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  5  15 f 20.55731 8.578796 8.663215       50.15163 85.66056       82.64660 -36.21520      63.09659 32.91140 11.69970 19.26840 8.762652 13.64300       14.61735 
1 1 1 17  5  16 o 59.23821 6.443555 307.8283       64.13097 327.1816       113.1964 298.6800       77.82602 59.49827 11.55759 57.90117 8.092235 1.597103       14.10894 
1 1 1 17  5  17 o 77.56735 5.285002 522.4079       69.58736 606.3677       111.5174 468.8681       89.05235 82.75576 7.990566 72.92442 7.247050 9.831337       10.78744 
1 1 1 17  5  18 o 58.43303 6.709625 302.1247       65.73693 283.4038       116.2727 310.9200       79.69675 54.33697 12.75025 58.81358 8.154684 -4.476604      15.13499 
1 1 1 17  5  19 o 50.83099 7.782135 233.3667       65.40038 35.66790       114.7413 328.5022       79.59564 30.95038 12.95113 60.43554 7.901697 -29.48516      15.17130 
1 1 1 17  5  20 o 83.96480 5.402547 616.3041       77.05238 677.8603       136.3484 587.4225       93.39536 86.11418 9.425917 81.42467 6.778468 4.689507       11.61015 
1 1 1 17  5  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  6  0  o 128.4799 4.840693 1412.814       106.2049 1271.264       139.4402 1608.380       163.9000 121.5521 6.744216 136.7222 7.043951 -15.17011      9.752009 
1 1 1 17  6  1  o 184.9395 5.007635 2928.203       158.1482 2745.605       221.5922 3117.763       225.7773 178.8161 7.256812 190.5963 6.936873 -11.78024      10.03900 
1 1 1 17  6  2  f 236.7024 5.548040 4800.510       224.2560 4801.312       323.4471 4799.768       311.1992 236.2765 8.016424 236.3021 7.712037 -0.2552795E-01 11.12378 
1 1 1 17  6  3  o 208.2146 4.484371 3710.686       159.4464 3650.008       264.4842 3745.328       199.8454 206.0512 7.516620 209.0420 5.598331 -2.990784      9.372347 
1 1 1 17  6  4  o 133.6749 4.487039 1529.618       102.4263 1330.654       164.6121 1655.317       130.8400 124.1178 7.806281 138.9684 5.513441 -14.85062      9.556990 
1 1 1 17  6  5  o 76.58141 4.877663 504.3609       63.45566 499.5985       94.83598 508.2215       85.38583 75.86057 7.415576 76.65033 6.587339 -0.7897644     9.918861 
1 1 1 17  6  6  o 40.89337 7.399599 148.2387       49.77068 170.7221       70.82533 126.3042       69.95547 43.58385 9.759015 37.62495 10.49255 5.958897       14.32941 
1 1 1 17  6  7  o 271.6888 21.13293 6746.864       972.7532 6646.083       1374.671 6847.941       1376.693 259.4873 31.68061 264.0171 31.13416 -4.529755      44.41843 
1 1 1 17  6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  6  9  o 163.2810 4.367841 2283.022       121.7880 2285.163       200.7952 2281.777       153.1805 162.9476 7.216117 163.0974 5.499896 -0.1497955     9.073103 
1 1 1 17  6  10 o 146.4952 4.412170 1838.181       110.3767 1761.266       176.3689 1887.700       141.5158 142.8357 7.254570 148.3144 5.587526 -5.478729      9.156922 
1 1 1 17  6  11 o 83.13568 5.106628 595.2341       72.14670 681.3552       118.2644 544.1857       91.05224 88.46952 7.911631 79.20544 6.797710 9.264084       10.43086 
1 1 1 17  6  12 o 102.6645 4.709496 904.4828       82.56512 836.2718       133.5704 946.6628       105.0355 97.92826 8.058836 104.7196 5.897634 -6.791374      9.986337 
1 1 1 17  6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  6  14 o 46.84708 7.429583 195.0582       57.45231 39.56153       95.13362 284.3261       72.08108 29.84096 12.06121 56.70793 7.637729 -26.86697      14.27612 
1 1 1 17  6  15 o 40.81071 8.024179 150.3098       53.92802 141.4575       89.74661 155.3124       67.46651 39.48568 12.13530 41.14971 9.750455 -1.664028      15.56717 
1 1 1 17  6  16 o 53.40807 6.798209 251.9762       60.59618 188.8842       95.94090 293.8481       78.15884 44.89088 12.19757 57.33162 8.218364 -12.44074      14.70790 
1 1 1 17  6  17 o 62.89541 5.724196 345.8910       60.80738 362.8712       102.6200 336.7029       75.48701 63.05918 9.852030 61.59149 7.320472 1.467686       12.27403 
1 1 1 17  6  18 o 85.36362 5.074106 633.6099       73.63345 731.8764       120.0503 574.3464       93.22966 90.68156 7.829278 80.66470 6.832327 10.01686       10.39126 
1 1 1 17  6  19 o 91.74990 4.785717 731.1150       74.72175 833.3260       126.5310 676.3828       92.59116 96.69976 7.727018 87.72701 6.220994 8.972748       9.920059 
1 1 1 17  6  20 o 36.28903 10.57842 124.8722       69.57848 143.2813       120.8689 115.7485       85.09104 39.46276 14.13597 35.45607 11.90606 4.006699       18.48188 
1 1 1 17  7  0  o 150.5975 4.789065 1941.518       123.1602 1805.959       167.4981 2101.074       181.7195 145.0571 6.761902 156.4561 6.801535 -11.39900      9.590839 
1 1 1 17  7  1  o 145.2324 4.704109 1805.753       116.6656 1867.932       166.0448 1745.129       163.9552 147.5224 6.591213 142.5744 6.734136 4.948013       9.422986 
1 1 1 17  7  2  f 94.60714 5.141247 769.0257       82.74858 755.2374       112.1855 785.4789       122.5482 93.49036 7.079477 95.26999 7.595800 -1.779625      10.38341 
1 1 1 17  7  3  o 185.0201 5.134157 2933.094       162.2146 2864.081       232.4065 2998.655       226.5190 182.4778 7.458241 186.7794 7.101886 -4.301651      10.29865 
1 1 1 17  7  4  o 236.4704 4.859826 4790.046       196.2454 4858.584       329.1065 4752.229       244.4623 237.4668 8.115807 235.3184 6.083509 2.148392       10.14275 
1 1 1 17  7  5  o 179.8972 4.528135 2771.432       139.1059 2713.409       229.2621 2805.239       175.0005 177.5361 7.562121 180.8401 5.666861 -3.304031      9.449814 
1 1 1 17  7  6  o 264.9150 31.64729 6938.932       1403.336 0.000000       0.000000 6938.932       1403.336 ?        ?        264.9150 31.64729 0.000000       31.64729 
1 1 1 17  7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  7  8  o 160.3084 4.431067 2200.901       121.3016 2306.878       199.0814 2138.324       152.9780 163.7312 7.120284 157.8602 5.674851 5.870987       9.105074 
1 1 1 17  7  9  o 26.44825 9.613806 49.95166       56.15958 47.02028       74.31053 53.85566       85.75690 28.31565 10.89902 30.33634 11.69949 -2.020695      15.98958 
1 1 1 17  7  10 o 86.94118 5.250976 651.0079       77.59338 574.3457       121.5001 703.8090       100.8341 80.95119 8.938326 90.19416 6.592439 -9.242973      11.10648 
1 1 1 17  7  11 o 105.0972 4.911058 948.1030       88.13902 1037.405       137.6310 886.0163       114.7582 109.3242 7.416084 101.1569 6.680963 8.167274       9.981661 
1 1 1 17  7  12 o 162.7039 4.488771 2272.488       124.7175 2199.275       215.1211 2309.555       153.0668 159.1645 7.914706 163.8123 5.471831 -4.647736      9.622032 
1 1 1 17  7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  7  14 o 69.45226 5.368681 418.4348       63.17865 368.2076       106.3806 445.8036       78.52723 63.84030 10.09370 71.44543 6.507776 -7.605133      12.00974 
1 1 1 17  7  15 o 78.53114 4.966243 533.8729       66.25661 521.1755       112.1072 540.6887       82.13664 76.50719 8.737545 78.74677 6.157042 -2.239578      10.68896 
1 1 1 17  7  16 f 30.82910 9.133355 85.78049       51.50169 88.29984       87.66902 84.45289       63.64079 33.27577 12.02456 31.19716 10.29147 2.078604       15.82733 
1 1 1 17  7  17 o 30.72176 9.912202 83.70840       59.18974 71.28843       106.1377 89.31438       71.30752 32.97574 12.93193 32.11283 10.89861 0.8629112      16.91196 
1 1 1 17  7  18 f 28.72502 9.776407 70.67765       57.38037 -38.08979      87.71996 152.0258       75.86174 22.92210 10.38826 40.05398 10.83091 -17.13188      15.00749 
1 1 1 17  7  19 o 41.67158 8.240439 160.0037       56.56211 228.9173       94.07008 120.9812       70.78747 48.72690 11.49184 35.85900 10.72701 12.86790       15.72040 
1 1 1 17  7  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  8  0  o 184.2664 5.031464 2908.681       158.3224 2724.267       226.3760 3085.248       221.5068 177.9807 7.448272 189.5117 6.844617 -11.53091      10.11561 
1 1 1 17  8  1  o 95.28258 5.130878 780.1533       83.17710 774.4787       116.6720 786.0182       118.6124 94.62980 7.275735 95.32481 7.343095 -0.6950073     10.33718 
1 1 1 17  8  2  o 162.1852 4.879254 2253.381       135.1346 2154.245       192.1781 2350.341       190.0579 158.2834 7.109951 165.3910 6.729337 -7.107590      9.789555 
1 1 1 17  8  3  o 193.0432 5.117315 3193.923       168.6936 3125.094       241.4625 3259.550       235.7765 190.5553 7.420389 194.6780 7.092212 -4.122726      10.26458 
1 1 1 17  8  4  o 84.42857 5.277788 613.5224       75.71091 536.2519       103.9181 700.9391       110.5303 78.50661 7.856938 89.96601 7.256226 -11.45940      10.69506 
1 1 1 17  8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  8  7  o 37.37693 8.911385 125.5686       56.07687 75.78215       78.91405 176.3532       79.70115 31.87575 11.42168 44.18338 10.68131 -12.30763      15.63794 
1 1 1 17  8  8  o 123.5687 4.608004 1308.350       97.23515 1351.037       149.6148 1277.136       127.9381 125.0825 7.033024 121.7617 6.173191 3.320740       9.357976 
1 1 1 17  8  9  o 35.05402 10.01281 109.5248       62.91714 135.1333       91.27803 86.34391       86.84401 39.30361 12.26483 33.64913 11.98979 5.654480       17.15171 
1 1 1 17  8  10 o 132.8247 4.409492 1512.839       100.0160 1519.189       166.4597 1509.252       125.1188 132.3923 7.392346 132.5048 5.529540 -0.1125183     9.231608 
1 1 1 17  8  11 o 25.03298 9.902527 31.42091       62.74054 -107.2873      106.0844 106.0373       77.80682 22.71069 10.67970 35.06659 11.36993 -12.35590      15.59908 
1 1 1 17  8  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  8  13 o 57.87835 6.722684 294.1970       65.20711 296.1803       100.0053 292.7301       86.00391 56.95540 10.67441 57.08685 9.129925 -0.1314468     14.04630 
1 1 1 17  8  14 o 30.35638 9.414887 81.50992       53.87965 24.95413       104.4590 102.0105       62.89129 29.62007 12.37263 33.65759 10.12068 -4.037516      15.98468 
1 1 1 17  8  15 o 128.3410 4.474958 1419.008       98.07452 1384.971       161.0930 1439.054       123.6256 125.5570 7.548424 128.9150 5.615693 -3.357956      9.408226 
1 1 1 17  8  16 o 26.70277 9.498168 56.56699       54.47741 78.33257       87.24741 42.65847       69.74416 32.08075 11.92784 26.75288 10.48530 5.327866       15.88128 
1 1 1 17  8  17 o 68.56246 5.458738 411.1237       63.38230 426.7281       107.8577 402.8926       78.33514 68.28854 9.507030 67.39494 6.904001 0.8936005      11.74942 
1 1 1 17  8  18 o 55.02856 7.478380 272.4547       68.45411 281.3011       117.7525 267.9388       84.13093 53.50636 13.01265 53.75899 9.512436 -0.2526245     16.11879 
1 1 1 17  8  19 o 38.30348 8.940749 137.7110       57.41609 139.1213       113.3172 137.2239       66.59785 38.72688 13.70686 37.95379 10.09853 0.7730827      17.02522 
1 1 1 17  9  0  o 150.1212 4.759478 1930.553       122.0122 1842.928       169.8461 2023.991       175.3900 146.4261 6.792584 153.4656 6.692554 -7.039413      9.535695 
1 1 1 17  9  1  o 155.7173 4.636631 2077.008       123.2938 2082.309       174.9951 2071.783       173.7392 155.6629 6.583230 155.2736 6.552365 0.3892365      9.288295 
1 1 1 17  9  2  o 142.1349 4.928334 1731.368       119.6198 1660.777       169.1370 1802.011       169.1988 138.7404 7.163384 144.7562 6.844758 -6.015808      9.907814 
1 1 1 17  9  3  o 34.03851 14.77573 -16.24508      159.3892 57.32539       468.6749 -25.86691      169.4918 59.53969 25.58938 34.63955 15.13354 24.90014       29.72945 
1 1 1 17  9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  9  6  o 64.74450 6.156634 363.3616       67.24942 554.7050       95.59393 175.8830       94.62358 79.96455 7.073497 44.15327 12.16208 35.81128       14.06949 
1 1 1 17  9  7  f 147.1258 4.540926 1854.800       114.0868 1799.175       177.6354 1893.854       148.8425 144.5146 7.198066 148.4895 5.869878 -3.974915      9.288036 
1 1 1 17  9  8  o 79.87968 5.704914 551.0315       77.30737 579.7357       116.0981 528.1655       103.6210 81.40599 8.475833 77.78613 7.910975 3.619858       11.59410 
1 1 1 17  9  9  o 142.6107 4.720276 1745.395       114.9533 1638.106       188.2027 1809.239       145.1817 137.2628 8.064605 144.9951 5.863497 -7.732315      9.970881 
1 1 1 17  9  10 o 89.82464 5.159010 696.1617       78.80202 760.9071       123.6654 651.8991       102.2497 93.30959 7.833529 86.53418 6.978808 6.775414       10.49133 
1 1 1 17  9  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  9  12 o 28.94178 9.766033 69.68945       57.25384 18.95774       87.68530 107.3928       75.59222 27.20059 11.34666 34.95046 11.19392 -7.749870      15.93896 
1 1 1 17  9  13 o 149.9209 4.547687 1934.865       116.4272 1998.661       198.2012 1901.253       143.8648 151.0406 7.710093 148.2744 5.681805 2.766174       9.577497 
1 1 1 17  9  14 o 78.83083 5.201863 539.2607       69.63200 533.3086       115.1437 542.6926       87.43092 77.22417 8.893925 78.71222 6.564488 -1.488052      11.05416 
1 1 1 17  9  15 o 32.89911 9.824751 98.75048       59.41786 70.85180       89.54362 120.6990       79.42288 31.56012 12.00785 36.34365 11.45654 -4.783525      16.59641 
1 1 1 17  9  16 o 109.0046 4.503539 1027.025       83.83022 977.8674       141.9193 1053.368       103.8918 104.7326 7.995614 109.9142 5.553089 -5.181679      9.734816 
1 1 1 17  9  17 o 60.03377 5.784648 317.1996       58.56875 369.7952       104.6018 293.1798       70.68859 63.12457 10.03996 57.14734 7.418555 5.977226       12.48342 
1 1 1 17  9  18 o 44.33270 8.182878 181.0013       59.66651 176.0356       97.66115 183.9587       75.36830 42.36673 12.58296 43.93441 10.23575 -1.567680      16.22040 
1 1 1 17  10 0  o 55.96671 6.564277 272.9082       61.54478 280.4989       81.75442 262.9803       93.49780 56.32248 8.787001 54.13831 10.49219 2.184162       13.68567 
1 1 1 17  10 1  o 120.7456 15.37226 1310.798       309.7767 1274.513       642.3868 1321.793       353.6079 111.1941 32.06494 120.2880 17.74780 -9.093941      36.64894 
1 1 1 17  10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  10 4  o 190.6757 5.351490 3119.220       174.2497 2959.754       242.8433 3288.457       250.1725 185.2696 7.675737 195.3299 7.500134 -10.06029      10.73168 
1 1 1 17  10 5  o 28.36635 10.22643 58.98532       63.35561 11.67112       88.31283 109.1583       90.94173 27.02556 11.33876 36.42866 12.30821 -9.403097      16.73497 
1 1 1 17  10 6  o 181.7896 4.706086 2833.388       146.0935 2705.561       233.6608 2915.430       187.1950 177.0225 7.729572 184.1750 5.951982 -7.152466      9.755632 
1 1 1 17  10 7  o 36.03392 10.60359 115.5368       69.61773 41.54839       91.30862 218.2672       107.5919 29.77145 11.89228 48.82933 12.76123 -19.05788      17.44349 
1 1 1 17  10 8  o 116.5523 4.963495 1166.971       98.78938 1285.068       150.2353 1077.007       131.1250 121.6786 7.263428 111.4429 6.924441 10.23566       10.03520 
1 1 1 17  10 9  o 39.03963 10.06003 138.9153       67.48534 200.0042       93.82721 73.44167       97.13616 46.58921 11.78501 33.04896 12.52275 13.54025       17.19610 
1 1 1 17  10 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  10 11 o 52.01844 7.850625 241.0811       67.56675 187.0628       114.5507 269.9020       83.67202 44.98164 13.68880 54.68564 9.292446 -9.704002      16.54487 
1 1 1 17  10 12 o 57.48667 6.683005 290.9448       64.38129 206.8150       99.04626 352.4983       84.72074 46.93944 12.23266 62.95066 8.066675 -16.01122      14.65296 
1 1 1 17  10 13 o 21.20068 9.019570 3.546340       57.16913 -74.79598      83.97882 71.20966       78.04556 20.57700 9.620345 30.71962 11.30784 -10.14261      14.84649 
1 1 1 17  10 14 o 117.9402 4.563621 1200.812       91.91226 1103.601       150.1353 1259.084       116.2408 111.5871 7.930565 120.4164 5.652895 -8.829353      9.739050 
1 1 1 17  10 15 o 118.5662 4.567852 1215.665       92.48580 1023.839       151.0741 1330.649       116.9652 106.9664 8.336498 123.6805 5.538009 -16.71405      10.00833 
1 1 1 17  10 16 o 52.59659 6.972025 247.6112       61.07743 211.3761       100.4922 268.8373       76.91369 46.58093 12.41012 54.23262 8.591367 -7.651691      15.09380 
1 1 1 17  10 17 f 57.80062 6.302037 296.8254       61.19555 212.8861       103.2982 342.2140       75.95968 46.39494 12.67763 61.69546 7.354841 -15.30053      14.65660 
1 1 1 17  11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  11 2  o 228.6100 5.799234 4488.745       226.3954 4425.973       318.7718 4552.631       321.5898 226.3259 8.247906 229.5560 8.203738 -3.230087      11.63311 
1 1 1 17  11 3  o 141.2460 5.075438 1711.339       122.4198 1600.004       168.3648 1836.228       178.3192 136.0550 7.272948 145.9767 7.153399 -9.921738      10.20132 
1 1 1 17  11 4  o 65.47473 7.260096 374.0872       79.80763 402.6486       93.74690 298.8917       152.1120 67.74911 8.275093 56.92447 15.31336 10.82465       17.40621 
1 1 1 17  11 5  o 177.6016 5.452768 2710.189       165.3734 2654.876       227.8024 2771.819       240.4571 175.2589 7.611602 179.0033 7.866376 -3.744324      10.94607 
1 1 1 17  11 6  f 107.0879 5.687237 989.4858       103.6297 975.4369       138.6407 1007.273       155.9992 105.8583 7.722723 107.3434 8.582061 -1.485069      11.54523 
1 1 1 17  11 7  o 84.81262 5.639965 622.2664       81.21867 571.1100       118.1478 668.1005       111.8332 80.49319 8.735590 87.45366 7.562863 -6.960472      11.55454 
1 1 1 17  11 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  11 9  o 19.91841 8.851237 -19.71601      60.32473 92.94086       84.82450 -135.0007      85.80812 33.83692 11.86984 18.40302 8.906096 15.43390       14.83953 
1 1 1 17  11 10 o 62.38493 6.561279 341.3277       68.85128 303.6143       102.9126 371.8858       92.63688 57.49913 10.87954 64.56019 8.617827 -7.061058      13.87917 
1 1 1 17  11 11 o 35.45138 9.816505 115.2401       61.45977 129.1641       89.93344 103.0390       84.18548 37.91238 12.21674 34.70745 11.84162 3.204929       17.01390 
1 1 1 17  11 12 o 46.68563 8.803007 198.6178       67.60670 60.03955       93.46572 350.6869       97.90965 31.04443 12.14622 62.13693 9.531525 -31.09250      15.43958 
1 1 1 17  11 13 o 144.5656 4.535641 1804.684       111.9710 1792.186       182.5191 1812.227       141.7869 142.4892 7.527807 144.3762 5.750937 -1.887009      9.473180 
1 1 1 17  11 14 o 32.45925 10.21560 95.98102       63.17358 46.50183       90.66640 142.6690       88.07195 29.26552 11.79356 38.88657 12.03324 -9.621052      16.84894 
1 1 1 17  11 15 o 24.56613 9.530211 38.27820       57.16531 1.314170       88.29909 64.95022       75.00574 25.42522 11.01716 29.38182 11.03273 -3.956602      15.59163 
1 1 1 17  11 16 o 47.61946 8.484630 209.2624       66.46571 220.1364       116.5521 204.0219       80.91166 46.79413 13.70576 46.19323 10.49578 0.6009026      17.26295 
1 1 1 17  12 0  o 123.0705 4.746888 1298.727       99.76195 1284.265       145.6335 1311.514       136.9371 121.8803 7.027020 123.2747 6.528229 -1.394470      9.591496 
1 1 1 17  12 1  o 113.7987 4.822233 1110.667       93.71030 1142.772       135.3175 1081.080       129.9011 114.9577 6.925421 111.8187 6.835772 3.139015       9.730840 
1 1 1 17  12 2  o 94.33545 5.415946 766.9039       86.88142 848.5962       117.1777 667.1593       129.4789 98.95898 6.978789 87.27850 8.807865 11.68048       11.23753 
1 1 1 17  12 3  o 244.9102 5.866117 5160.918       245.3350 4655.921       340.2725 5707.637       354.0495 231.6001 8.603720 256.6760 8.077497 -25.07594      11.80127 
1 1 1 17  12 4  o 80.27219 6.404565 559.2352       87.06155 462.3593       113.4081 698.2610       135.8577 72.22379 9.419474 89.09312 9.055593 -16.86934      13.06638 
1 1 1 17  12 5  o 247.0683 6.040315 5265.833       254.8464 5014.245       356.0717 5530.059       364.9049 239.7832 8.695946 251.9432 8.481549 -12.15997      12.14727 
1 1 1 17  12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  12 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  12 8  o 58.69709 7.439919 304.7259       72.90003 229.6927       100.0835 389.5267       106.3985 49.61877 11.95345 65.73989 9.775258 -16.12112      15.44152 
1 1 1 17  12 9  o 96.60899 5.163582 807.9812       84.87798 759.4661       127.6374 846.4444       113.6480 92.71178 8.144540 98.39948 6.805234 -5.687698      10.61342 
1 1 1 17  12 10 o 93.87186 5.357644 764.6579       85.52771 908.7794       139.5090 677.8726       108.2582 101.3486 8.129294 87.76009 7.289716 13.58855       10.91904 
1 1 1 17  12 11 o 22.52439 9.449241 11.01719       61.32114 -6.085956      84.87715 29.69184       88.69088 24.69659 10.75150 27.88461 11.50283 -3.188017      15.74515 
1 1 1 17  12 12 o 35.56849 10.05767 117.7508       63.81396 113.6567       90.96222 121.7185       89.54756 35.83865 12.30749 36.65616 12.21334 -0.8175049     17.33897 
1 1 1 17  12 13 o 43.29925 9.377475 175.0380       67.33061 132.0168       94.44198 219.5063       96.01729 37.75154 12.54097 47.67566 11.84607 -9.924114      17.25124 
1 1 1 17  12 14 o 46.35422 8.558158 198.0629       65.24847 190.5878       97.11600 204.2135       88.09301 44.18353 12.37737 46.04790 11.28974 -1.864365      16.75284 
1 1 1 17  12 15 o 118.6666 4.842110 1224.466       98.12173 1205.930       165.4918 1234.515       121.8497 115.3914 8.457401 118.4160 6.045911 -3.024590      10.39619 
1 1 1 17  13 0  o 35.59475 9.839539 114.0571       61.80656 56.20424       86.65095 173.9760       88.18460 30.50661 11.76168 43.67570 11.62025 -13.16909      16.53382 
1 1 1 17  13 1  o 39.44888 8.735882 140.5875       57.29724 94.47754       75.31805 203.9298       88.27726 33.54813 11.20181 47.22168 11.12939 -13.67355      15.79062 
1 1 1 17  13 2  o 153.6680 4.653120 2028.414       122.1039 1906.842       183.5313 2124.958       163.5524 148.3585 7.244291 156.9433 6.102564 -8.584808      9.472119 
1 1 1 17  13 3  o 82.83457 6.142957 595.7880       86.27513 570.2770       115.2629 628.2913       130.1036 80.41270 8.523845 84.23479 9.194042 -3.822090      12.53740 
1 1 1 17  13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  13 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  13 6  o 103.9791 5.968370 938.6932       105.5311 809.7820       132.8061 1159.542       173.8284 95.83678 8.193675 114.4656 8.964545 -18.62878      12.14493 
1 1 1 17  13 7  o 23.56626 10.04709 4.090468       71.20828 -21.36968      82.20686 80.60032       142.5070 23.39178 10.36660 37.10604 14.84454 -13.71426      18.10599 
1 1 1 17  13 8  o 136.9628 4.917045 1619.507       115.0029 1627.958       171.8208 1612.648       154.7868 136.1817 7.416433 136.0481 6.662538 0.1335907      9.969598 
1 1 1 17  13 9  o 142.6694 4.850033 1758.365       118.1619 1871.912       180.7557 1673.633       156.1449 146.1634 7.241882 138.5049 6.601777 7.658493       9.799404 
1 1 1 17  13 10 o 42.19684 9.331617 165.1439       65.45691 202.4622       93.51894 129.3027       91.64947 46.05205 11.82936 37.62172 12.34730 8.430325       17.09940 
1 1 1 17  13 11 f 69.83505 6.414918 430.6395       75.64567 381.0573       107.8776 478.6035       106.1027 64.07433 10.20131 72.68056 8.723085 -8.606232      13.42233 
1 1 1 17  13 12 o 68.44946 6.763538 416.3410       78.02388 279.4651       123.9984 506.0561       100.3888 52.92313 13.63587 74.98875 7.961246 -22.06561      15.78982 
1 1 1 17  13 13 o 84.84203 5.612643 631.4739       80.85741 481.0952       118.9394 760.6904       110.2533 71.94936 9.946486 92.47079 7.034847 -20.52142      12.18284 
1 1 1 17  13 14 o 53.89759 7.622574 264.2825       68.20033 227.2234       101.3495 294.9513       92.19829 47.77701 12.33678 55.82608 10.04043 -8.049068      15.90618 
1 1 1 17  14 0  o 27.82241 10.68252 48.35889       71.27151 11.95718       96.95563 91.15387       105.1256 27.91162 11.80433 35.24209 13.09504 -7.330467      17.63016 
1 1 1 17  14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  14 3  o 141.7797 4.888048 1732.132       118.3454 1710.266       177.1491 1749.757       159.0426 139.8577 7.444180 141.9814 6.559641 -2.123627      9.921930 
1 1 1 17  14 4  o 183.0569 4.848963 2889.021       151.5783 2743.463       233.5886 2994.896       199.2186 177.0781 7.724757 185.7757 6.279704 -8.697525      9.955227 
1 1 1 17  14 5  o 59.05270 8.057750 311.4629       79.13503 287.5384       113.3892 334.1815       110.4946 55.22357 12.33519 60.08481 11.18044 -4.861240      16.64810 
1 1 1 17  14 6  o 83.88560 5.990447 614.0848       85.24774 579.8483       115.7175 654.7165       126.0628 80.61063 8.536173 85.61702 8.745100 -5.006386      12.22060 
1 1 1 17  14 7  o 184.9930 4.890757 2957.922       154.5017 2901.319       238.8539 2998.643       202.5930 181.5899 7.702625 185.4636 6.396816 -3.873718      10.01248 
1 1 1 17  14 8  o 40.27966 10.23168 152.2149       70.51471 109.2231       90.30297 219.3892       112.8785 35.37118 12.25617 47.53069 13.35433 -12.15952      18.12600 
1 1 1 17  14 9  o 44.07949 10.40463 183.6968       77.06004 219.7201       93.94760 109.6240       134.7174 47.83681 11.61658 37.77511 14.63694 10.06170       18.68649 
1 1 1 17  14 10 o 71.15871 6.619618 448.9920       79.51588 595.4337       125.2303 350.0675       102.9269 80.70438 9.254034 61.19982 10.20825 19.50457       13.77844 
1 1 1 17  14 11 o 26.62048 10.14488 50.10252       63.97922 56.47105       87.35635 42.73392       93.96526 29.59236 11.69152 29.08302 11.89998 0.5093346      16.68236 
1 1 1 17  14 12 o 55.74451 7.673192 282.2571       71.10725 312.6366       102.3037 253.8631       98.90408 57.12227 10.88521 50.97553 11.62022 6.146744       15.92223 
1 1 1 17  14 13 o 48.17599 8.685036 216.3874       68.82188 288.8103       99.18978 149.1555       95.56886 54.58955 11.02009 39.01451 12.59597 15.57504       16.73622 
1 1 1 17  15 0  o 16.00221 7.924141 -182.0606      80.88167 -190.9091      102.4911 -167.4525      131.6883 19.04137 9.328677 23.73022 11.36815 -4.688850      14.70575 
1 1 1 17  15 1  o 50.29132 9.441671 230.9471       78.10775 201.9921       101.0563 273.9111       123.0990 46.25791 12.49747 53.53564 13.47498 -7.277733      18.37830 
1 1 1 17  15 2  o 80.80765 6.434029 571.6663       88.04898 491.6958       119.4177 666.9313       130.3378 73.73044 9.721696 86.36454 8.968349 -12.63410      13.22659 
1 1 1 17  15 3  o 120.3130 5.265029 1252.785       108.1721 1244.253       156.5967 1260.571       149.5999 118.7380 7.765869 119.7172 7.353259 -0.9791870     10.69482 
1 1 1 17  15 4  o 40.59731 10.12428 153.6917       69.94963 169.7292       88.40152 126.8354       114.3969 42.39632 11.78509 38.50394 13.75656 3.892372       18.11440 
1 1 1 17  15 5  o 65.57951 6.866527 380.5315       75.75653 292.1893       101.2656 492.8071       114.1618 55.83688 11.01164 73.74503 9.270246 -17.90815      14.39422 
1 1 1 17  15 6  o 36.39724 10.33366 123.9337       67.22364 148.4353       88.20168 89.97481       103.8378 39.61944 12.00164 34.24292 12.95416 5.376518       17.65926 
1 1 1 17  15 7  o 95.46550 5.725866 797.8102       92.91348 741.6937       139.2725 842.8169       124.7266 90.32743 9.155583 97.25158 7.569996 -6.924149      11.87980 
1 1 1 17  15 8  o 91.61320 5.688458 735.8947       88.55294 836.4544       125.8456 637.2703       124.6288 96.67883 7.686076 83.67822 8.856355 13.00062       11.72650 
1 1 1 17  15 9  o 48.07669 9.601310 217.1557       76.06625 115.7588       112.3606 302.9437       103.3511 36.60582 13.55075 56.21697 11.15949 -19.61116      17.55440 
1 1 1 17  15 10 o 132.1004 4.377344 1513.108       98.74537 1367.423       166.4290 1592.255       122.6700 123.2166 7.952107 135.0197 5.320338 -11.80308      9.567759 
1 1 1 17  15 11 o 60.28854 7.195918 328.4383       72.61985 68.93806       120.0175 478.3211       91.21188 32.95677 13.46277 72.76014 7.445906 -39.80337      15.38465 
1 1 1 17  16 0  o 115.3724 5.198583 1153.093       102.4209 1101.596       149.1805 1199.010       140.8669 111.4791 7.887319 116.7261 7.100811 -5.246994      10.61279 
1 1 1 17  16 1  o 65.23561 8.318183 382.6569       90.55603 343.2159       136.9634 413.2890       120.7033 59.32025 13.78345 66.66400 10.98567 -7.343750      17.62579 
1 1 1 17  16 2  o 50.56350 9.885900 237.5528       82.30116 224.4109       116.0302 250.8597       116.7560 47.94378 13.56380 50.69419 13.31537 -2.750404      19.00725 
1 1 1 17  16 3  o 53.26654 9.540877 262.5472       83.59779 429.9672       118.6699 97.61366       117.7854 67.98119 10.56537 35.78618 13.73462 32.19501       17.32821 
1 1 1 17  16 4  o 55.35447 9.691530 284.7311       88.27301 358.7991       120.7092 199.5885       129.4192 61.10781 11.99580 45.03488 14.66736 16.07293       18.94810 
1 1 1 17  16 5  o 27.12799 10.97745 38.60773       78.90433 -45.78831      111.1078 124.4772       112.0735 25.49669 11.60779 37.46198 13.58662 -11.96529      17.87000 
1 1 1 17  16 6  o 48.40967 8.712788 217.0402       69.37768 236.1012       94.27646 194.5248       102.4638 49.33208 11.41711 44.31023 12.81435 5.021843       17.16269 
1 1 1 17  16 7  o 56.05467 8.327277 287.9695       77.28831 278.7634       98.85244 302.4477       123.9668 53.78234 11.13016 54.82201 13.36325 -1.039665      17.39129 
1 1 1 17  16 8  o 52.55613 8.897781 257.1227       77.00622 143.8851       97.87080 441.1572       124.7693 38.54539 12.76477 67.76629 11.17115 -29.22090      16.96272 
1 1 1 17  16 9  o 33.07494 10.60556 103.2070       67.83970 66.74958       89.90553 151.4104       103.3789 30.35970 11.90314 39.19344 13.12347 -8.833748      17.71751 
1 1 1 17  17 0  o 23.87983 10.30732 2.425454       76.68530 -108.5560      102.4594 143.7723       115.6299 21.56366 10.24556 39.41972 13.85689 -17.85606      17.23325 
1 1 1 17  17 1  o 34.71176 12.14415 107.8483       88.76218 77.83044       110.2235 163.2287       149.7142 33.29533 13.13976 42.02979 15.62530 -8.734459      20.41577 
1 1 1 17  17 2  o 24.85099 10.52185 15.21491       77.17248 -46.51041      107.1069 81.85580       111.2900 24.86936 11.35107 33.60420 13.22176 -8.734844      17.42589 
1 1 1 17  17 3  o 27.40355 11.13360 40.00430       81.52121 -49.39717      109.3838 151.7027       122.2656 24.95929 11.42221 39.98148 14.22846 -15.02219      18.24599 
1 1 1 17  17 4  o 23.78670 10.57656 -15.96794      86.25956 -36.91086      130.9127 0.1012868      114.6729 27.98282 12.68543 28.18909 12.37814 -0.2062683     17.72395 
1 1 1 17  17 5  o 38.21804 12.23486 142.0158       90.31265 123.5236       139.3735 155.4008       118.5752 38.14500 14.85769 40.02131 14.03428 -1.876312      20.43801 
1 1 1 17  17 6  o 45.72918 11.07236 205.3916       85.54134 164.3631       120.3221 247.3211       121.6360 40.65873 14.14404 48.74526 13.92150 -8.086533      19.84596 
1 1 1 17  17 7  o 63.37659 8.605188 372.5632       90.72211 447.8255       129.9603 301.0267       126.7026 67.47704 11.70277 53.69561 13.75630 13.78142       18.06075 
1 1 1 17  18 0  o 60.83151 8.748549 342.5646       88.26498 452.5274       139.9642 269.9595       113.7307 67.52460 12.60167 51.63283 12.92793 15.89177       18.05362 
1 1 1 17  18 1  o 22.51482 10.10682 -22.40715      80.78266 -69.72517      126.8622 9.865436       104.7697 25.91315 12.01642 27.55120 11.96958 -1.638048      16.96070 
1 1 1 17  18 2  o 54.64285 9.781997 283.9992       87.92564 178.6419       141.2616 350.6316       112.3400 42.09484 15.25561 59.82751 11.41238 -17.73267      19.05193 
1 1 1 17  18 3  o 40.47413 12.98839 165.8252       101.7330 143.2301       140.3271 190.8572       147.7004 39.11312 14.99614 42.93840 15.59359 -3.825275      21.63433 
1 1 1 17  18 4  o 39.48910 13.80575 156.5822       114.7035 0.000000       0.000000 156.5822       114.7035 ?        ?        39.48910 13.80575 0.000000       13.80575 
1 1 1 17  19 0  o 33.65675 10.58108 110.0746       67.79503 150.1659       103.4480 79.89333       89.75645 38.49695 13.12667 31.16354 11.98269 7.333412       17.77342 
1 1 1 18  0  0  o 166.3706 6.818618 2379.642       192.9806 2379.642       192.9806 2379.642       192.9806 166.3706 6.818618 166.3706 6.818618 0.000000       0.000000 
1 1 1 18  0  1  o 129.2069 6.668614 1439.548       146.2427 1439.548       146.2427 1439.548       146.2427 129.2069 6.668614 129.2069 6.668614 0.000000       0.000000 
1 1 1 18  0  2  o 80.52560 8.362877 573.1271       112.1582 573.1271       112.1582 573.1271       112.1582 80.52560 8.362877 80.52560 8.362877 0.000000       0.000000 
1 1 1 18  0  3  o 114.4525 6.148965 1130.249       119.3867 1130.249       119.3867 1130.249       119.3867 114.4525 6.148965 114.4525 6.148965 0.000000       0.000000 
1 1 1 18  0  4  o 360.8266 10.29716 11207.94       633.3114 11207.94       633.3114 11207.94       633.3114 360.8266 10.29716 360.8266 10.29716 0.000000       0.000000 
1 1 1 18  0  5  o 202.5336 7.365173 3527.441       253.9669 3527.441       253.9669 3527.441       253.9669 202.5336 7.365173 202.5336 7.365173 0.000000       0.000000 
1 1 1 18  0  6  o 365.5684 7.467271 11465.00       465.7184 11465.00       465.7184 11465.00       465.7184 365.5684 7.467271 365.5684 7.467271 0.000000       0.000000 
1 1 1 18  0  7  o 170.0121 5.142678 2479.019       148.9947 2479.019       148.9947 2479.019       148.9947 170.0121 5.142678 170.0121 5.142678 0.000000       0.000000 
1 1 1 18  0  8  o 191.9603 18.05540 3297.732       579.8297 3297.732       579.8297 3297.732       579.8297 191.9603 18.05540 191.9603 18.05540 0.000000       0.000000 
1 1 1 18  0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0  10 o 170.8811 5.614385 2507.042       163.4311 2507.042       163.4311 2507.042       163.4311 170.8811 5.614385 170.8811 5.614385 0.000000       0.000000 
1 1 1 18  0  11 o 140.7890 6.325541 1707.930       151.3798 1707.930       151.3798 1707.930       151.3798 140.7890 6.325541 140.7890 6.325541 0.000000       0.000000 
1 1 1 18  0  12 o 53.77221 11.26392 279.2686       91.11551 279.2686       91.11551 279.2686       91.11551 53.77221 11.26392 53.77221 11.26392 0.000000       0.000000 
1 1 1 18  0  13 f 78.86966 7.849152 550.3367       103.3125 550.3367       103.3125 550.3367       103.3125 78.86966 7.849152 78.86966 7.849152 0.000000       0.000000 
1 1 1 18  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0  15 o 61.10755 10.74332 351.6951       101.7531 351.6951       101.7531 351.6951       101.7531 61.10755 10.74332 61.10755 10.74332 0.000000       0.000000 
1 1 1 18  0  16 o 136.5179 5.971260 1610.832       138.5998 1610.832       138.5998 1610.832       138.5998 136.5179 5.971260 136.5179 5.971260 0.000000       0.000000 
1 1 1 18  0  17 o 106.7499 7.044342 995.7365       127.1302 995.7365       127.1302 995.7365       127.1302 106.7499 7.044342 106.7499 7.044342 0.000000       0.000000 
1 1 1 18  0  18 o 189.5724 6.143295 3107.739       198.4011 3107.739       198.4011 3107.739       198.4011 189.5724 6.143295 189.5724 6.143295 0.000000       0.000000 
1 1 1 18  0  19 o 81.94369 7.295337 595.5182       100.2242 595.5182       100.2242 595.5182       100.2242 81.94369 7.295337 81.94369 7.295337 0.000000       0.000000 
1 1 1 18  0  20 o 55.41764 11.64865 303.5257       97.06243 303.5257       97.06243 303.5257       97.06243 55.41764 11.64865 55.41764 11.64865 0.000000       0.000000 
1 1 1 18  1  0  o 123.9707 4.905203 1314.825       103.8432 1475.332       141.3646 1126.704       153.0426 131.2352 6.307954 114.3134 7.888220 16.92178       10.10021 
1 1 1 18  1  1  o 429.5610 7.779066 15840.42       570.6295 16718.09       806.7850 14961.85       807.1993 440.2316 10.73185 416.2125 11.35700 24.01910       15.62543 
1 1 1 18  1  2  f 202.5960 4.964207 3512.882       171.7444 3457.146       241.2639 3570.140       244.5358 200.7423 7.038034 203.9990 7.019601 -3.256714      9.940258 
1 1 1 18  1  3  o 188.1816 4.937226 3031.192       158.6581 3098.790       224.8419 2964.150       223.9138 190.0383 6.928418 185.8471 7.055426 4.191254       9.888479 
1 1 1 18  1  4  o 204.0654 4.434251 3563.318       154.5224 3341.166       253.5802 3694.530       194.8848 197.1990 7.530238 207.6678 5.495495 -10.46878      9.322282 
1 1 1 18  1  5  o 110.1156 4.152119 1037.430       78.07655 988.2171       124.1958 1069.589       100.3964 107.0720 6.828086 111.7401 5.261470 -4.668190      8.620083 
1 1 1 18  1  6  o 260.0364 4.788747 5790.298       212.6463 5471.184       353.1550 5971.806       266.3421 252.0632 8.204535 263.8805 5.910586 -11.81731      10.11185 
1 1 1 18  1  7  o 309.6270 5.368454 8217.104       283.8507 8079.053       465.1351 8299.024       358.3043 305.9898 8.901644 310.8202 6.750577 -4.830383      11.17182 
1 1 1 18  1  8  o 170.4976 12.22296 2546.104       353.5128 2453.792       504.7154 2635.005       495.3027 164.8665 18.23235 171.4276 17.14960 -6.561035      25.03053 
1 1 1 18  1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1  10 o 156.8728 4.179495 2106.646       111.9627 2047.543       163.1150 2159.300       153.9597 154.4192 6.185727 158.6472 5.682935 -4.228027      8.399939 
1 1 1 18  1  11 o 77.08794 5.406386 512.2119       70.71944 416.7278       94.72918 632.4268       106.2912 69.02597 8.196752 85.38907 7.361355 -16.36310      11.01709 
1 1 1 18  1  12 o 169.4315 4.298614 2459.630       124.3725 2204.107       176.4725 2711.802       175.3119 160.0408 6.457202 177.6564 5.778678 -17.61559      8.665366 
1 1 1 18  1  13 o 159.0620 4.321146 2169.679       117.3728 2235.374       170.9700 2111.116       161.4216 161.0786 6.215556 156.5773 6.037136 4.501312       8.664880 
1 1 1 18  1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1  15 o 94.70380 4.812361 773.4008       77.57063 863.0370       110.2905 685.6543       109.1217 99.65863 6.516571 88.58125 7.278214 11.07738       9.769242 
1 1 1 18  1  16 o 66.15536 5.796843 381.1515       64.82694 371.2725       92.54408 390.6696       90.83801 64.53288 8.612773 66.35300 8.190721 -1.820122      11.88561 
1 1 1 18  1  17 o 166.4530 5.881925 2400.914       167.1910 2769.159       290.4224 2218.379       204.4716 176.3318 9.681960 159.2614 7.518318 17.07037       12.25828 
1 1 1 18  1  18 o 83.11323 5.047554 599.7002       71.30042 560.9822       101.6427 637.2101       100.0443 79.55556 7.573154 85.06905 6.947475 -5.513489      10.27716 
1 1 1 18  1  19 o 41.31576 8.825142 157.6724       60.37288 129.9274       84.05762 187.2349       86.76714 37.41292 11.78527 44.33285 11.39789 -6.919930      16.39526 
1 1 1 18  1  20 o 45.31436 8.313885 188.3573       61.96335 154.8521       101.0524 208.5455       78.44032 40.32620 12.94528 47.08414 10.06109 -6.757938      16.39530 
1 1 1 18  2  0  o 188.2243 4.941586 3031.319       158.8342 3079.569       218.2974 2977.039       231.5378 189.5457 6.744236 186.3042 7.277755 3.241547       9.922219 
1 1 1 18  2  1  o 169.4993 4.998794 2458.748       144.6888 2400.829       200.5192 2521.660       208.9851 167.3030 7.018596 171.4480 7.138071 -4.145004      10.01063 
1 1 1 18  2  2  o 40.15496 8.348171 143.7204       55.37720 189.8472       78.13988 97.17723       78.49170 46.03086 10.20829 34.40850 11.43313 11.62236       15.32728 
1 1 1 18  2  3  o 232.7292 4.537671 4634.598       180.3374 4651.746       292.0535 4624.031       229.2659 232.7522 7.347959 232.3078 5.779280 0.4443665      9.348400 
1 1 1 18  2  4  o 153.4138 4.010523 2013.241       105.0672 2021.852       170.4299 2007.963       133.4411 153.5131 6.501275 153.1258 5.103160 0.3872528      8.264915 
1 1 1 18  2  5  o 244.0266 4.571708 5097.338       190.5099 4840.627       315.3359 5244.894       239.0724 237.2348 7.783823 247.3673 5.659594 -10.13245      9.623872 
1 1 1 18  2  6  o 127.2200 4.021200 1384.789       87.36006 1340.226       134.7014 1417.141       114.7699 124.8056 6.341119 128.6057 5.225960 -3.800072      8.217083 
1 1 1 18  2  7  o 190.9858 4.392888 3122.569       143.2693 2958.664       230.0777 3226.375       183.1009 185.4855 7.263781 193.9865 5.527352 -8.501007      9.127658 
1 1 1 18  2  8  o 102.9017 15.35306 952.4327       261.5308 979.3141       313.1535 890.4560       475.4939 103.2960 18.42895 95.61584 27.59117 7.680138       33.17980 
1 1 1 18  2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2  10 o 98.34000 4.844375 828.6555       81.35232 767.2070       122.0456 877.7896       109.1333 94.07014 7.664082 100.8869 6.367290 -6.816742      9.963962 
1 1 1 18  2  11 o 61.26471 5.751123 324.9885       59.46367 339.3829       82.99072 309.8021       85.24315 62.22906 7.994582 59.27144 8.679086 2.957619       11.79999 
1 1 1 18  2  12 o 82.27370 4.821636 582.5418       67.44610 469.2690       96.88212 689.0659       93.95174 73.28915 7.863995 89.29005 6.200123 -16.00090      10.01419 
1 1 1 18  2  13 o 69.58235 6.687465 421.6024       78.48381 433.9845       86.45090 363.5607       187.1732 70.47906 7.288312 62.04732 17.11113 8.431747       18.59866 
1 1 1 18  2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2  15 o 155.8528 4.188563 2085.940       111.4761 2183.800       162.3486 1998.640       153.3388 158.9937 5.979527 152.1266 5.902621 6.867065       8.402123 
1 1 1 18  2  16 o 75.07560 5.302646 488.7685       67.54470 398.7429       94.45921 582.9655       96.62280 66.94398 8.451172 81.58373 7.003334 -14.63975      10.97584 
1 1 1 18  2  17 o 36.62666 8.819746 123.0134       54.50446 64.04290       80.62445 172.6473       73.96703 30.23950 11.42070 43.16908 10.19633 -12.92958      15.31005 
1 1 1 18  2  18 o 76.38593 7.482220 517.4633       96.34596 899.2570       241.7663 445.3842       105.0476 96.10146 15.24070 70.24496 8.961449 25.85650       17.68012 
1 1 1 18  2  19 o 17.82020 8.325098 -55.26576      62.69463 -53.86674      107.4565 -55.98777      77.19541 24.84778 11.35223 20.31240 9.403098 4.535383       14.74081 
1 1 1 18  2  20 o 77.27095 5.881199 524.5120       77.02135 480.8747       131.7364 547.1757       94.93847 71.46238 11.15991 78.40900 7.169817 -6.946625      13.26461 
1 1 1 18  3  0  o 157.4347 4.102895 2119.534       110.3044 1875.868       167.9465 2304.377       146.2769 147.9245 6.648581 164.0782 5.220630 -16.15364      8.453319 
1 1 1 18  3  1  o 61.13294 5.856404 323.0737       60.38937 444.1219       86.29304 206.8913       84.54086 71.59152 7.154293 48.04239 10.58999 23.54913       12.78014 
1 1 1 18  3  2  f 72.86004 5.111493 456.7029       63.19476 472.6465       91.83027 442.3598       87.09908 73.83199 7.382442 71.42445 7.241192 2.407547       10.34095 
1 1 1 18  3  3  o 155.1309 4.148688 2058.680       109.9034 1901.393       176.1467 2158.940       140.6350 148.8358 6.930511 158.7792 5.186779 -9.943451      8.656481 
1 1 1 18  3  4  o 106.4968 4.211856 970.4158       76.59708 1042.052       113.8030 911.0850       103.5682 110.0670 6.078281 102.9166 5.917956 7.150452       8.483378 
1 1 1 18  3  5  o 129.3392 4.072875 1431.324       89.95665 1405.512       141.5772 1448.800       116.4952 127.7979 6.508905 130.0372 5.246123 -2.239357      8.359883 
1 1 1 18  3  6  o 222.2866 4.409146 4229.790       167.3670 3989.497       273.7976 4373.145       211.4783 215.3674 7.444710 225.8631 5.483003 -10.49573      9.245919 
1 1 1 18  3  7  o 163.6742 4.109358 2292.734       114.8567 2387.482       184.2456 2232.510       146.8921 166.7325 6.471052 161.3810 5.330207 5.351501       8.383652 
1 1 1 18  3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3  9  o 214.0004 8.040244 3946.641       293.8229 0.000000       0.000000 3946.641       293.8229 ?        ?        214.0004 8.040244 0.000000       8.040244 
1 1 1 18  3  10 o 144.1118 4.197058 1778.075       103.2871 1552.394       169.9592 1910.232       130.0594 134.0629 7.453369 149.2747 5.102157 -15.21185      9.032425 
1 1 1 18  3  11 o 81.84201 5.975466 578.4414       82.93502 713.1369       106.7974 373.8093       131.6349 90.75407 6.943855 64.29313 12.43935 26.46094       14.24621 
1 1 1 18  3  12 o 96.92662 4.919863 808.2479       81.16553 512.2230       124.9158 1024.546       106.7774 76.09603 9.843605 109.0166 5.756077 -32.92060      11.40303 
1 1 1 18  3  13 o 41.47001 9.138153 155.6122       62.96816 138.5813       111.5656 163.5735       76.27898 40.39657 13.63267 42.35301 10.57811 -1.956436      17.25532 
1 1 1 18  3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  3  15 o 65.23247 6.021133 370.8629       66.31546 253.4234       105.8563 446.7270       85.08001 52.20787 12.10846 71.38931 7.072026 -19.18145      14.02242 
1 1 1 18  3  16 o 68.87493 5.693546 412.9169       66.36428 494.6852       106.3145 360.7139       84.94695 74.61892 8.494785 63.74139 7.978941 10.87753       11.65439 
1 1 1 18  3  17 o 88.44271 4.898308 677.3064       73.69066 609.2654       108.1354 736.3016       100.6910 83.00592 7.717182 91.76208 6.467157 -8.756165      10.06871 
1 1 1 18  3  18 o 58.14264 7.051036 300.5141       68.57632 309.1745       107.6667 294.6026       88.95384 57.30853 11.40285 56.67421 9.529478 0.6343117      14.86055 
1 1 1 18  3  19 o 64.26813 6.761570 366.1104       73.09403 438.7489       111.7186 311.7432       96.65179 69.16207 9.728119 57.94104 10.13761 11.22104       14.05017 
1 1 1 18  3  20 o 89.45010 5.154768 698.0872       78.40594 656.3325       128.1659 723.0591       99.11647 84.91640 8.974488 90.50005 6.455845 -5.583656      11.05529 
1 1 1 18  4  0  o 190.5114 5.194425 3107.198       168.9897 2954.560       237.9285 3262.584       240.0609 185.5046 7.510865 194.9771 7.210011 -9.472473      10.41140 
1 1 1 18  4  1  o 248.6810 4.900662 5293.427       208.1131 5263.090       337.9663 5311.956       264.1305 247.4570 7.997823 248.9282 6.213589 -1.471268      10.12788 
1 1 1 18  4  2  o 328.6359 5.498689 9251.904       308.5859 9106.837       512.5997 9334.360       386.4595 325.0788 9.233955 329.7953 6.862110 -4.716461      11.50454 
1 1 1 18  4  3  o 46.66874 6.751018 190.7743       52.23854 227.4836       73.69624 153.7037       74.05801 50.66811 8.838899 41.37017 10.47302 9.297939       13.70439 
1 1 1 18  4  4  o 114.2687 4.119035 1117.217       80.37568 1153.607       123.9392 1090.805       105.5898 115.7845 6.292021 112.8188 5.480728 2.965660       8.344334 
1 1 1 18  4  5  o 180.3271 4.317686 2783.241       132.9579 2684.963       214.0443 2844.986       169.6592 176.7506 7.091547 182.1847 5.453354 -5.434113      8.945899 
1 1 1 18  4  6  o 66.20667 5.692180 378.6701       63.72923 409.5820       88.87940 345.9598       91.42812 68.55569 7.726738 62.73431 8.774516 5.821388       11.69165 
1 1 1 18  4  7  o 188.0638 12.22233 3096.597       390.3895 3102.961       553.9933 3090.319       550.2142 185.7939 17.67402 185.4596 17.58334 0.3342896      24.93081 
1 1 1 18  4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  4  9  o 117.8311 4.374608 1188.885       88.02396 1300.581       141.9405 1119.086       112.2059 122.8095 6.794606 114.0535 5.779978 8.755943       8.920471 
1 1 1 18  4  10 o 131.6191 5.474455 1486.213       123.0444 1621.735       160.3431 1292.097       191.9000 137.3062 6.838456 121.8396 9.293352 15.46660       11.53824 
1 1 1 18  4  11 o 126.0686 4.427010 1361.996       95.30577 1215.015       147.5083 1467.321       124.8685 118.4765 7.326881 130.7098 5.594261 -12.23338      9.218403 
1 1 1 18  4  12 o 111.1374 4.573591 1059.645       86.79995 1057.279       142.8570 1061.030       109.2864 110.2943 7.631759 110.9037 5.790652 -0.6093903     9.579948 
1 1 1 18  4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  4  14 o 26.77224 9.481904 55.37794       54.23497 147.3497       86.62245 -3.922266      69.55548 40.25390 11.82295 22.78738 9.826166 17.46653       15.37322 
1 1 1 18  4  15 o 104.9318 4.884421 948.2880       87.52303 901.4851       147.3081 973.8250       108.8115 101.0588 8.618293 105.9295 6.040309 -4.870689      10.52427 
1 1 1 18  4  16 o 54.67120 6.631126 263.4300       60.64137 273.6248       95.97610 256.6556       78.23681 54.49589 10.69520 53.30766 8.908883 1.188225       13.91961 
1 1 1 18  4  17 o 89.67510 5.176578 697.9426       78.93435 744.5023       135.4442 673.9963       97.13454 91.27296 8.798925 87.69808 6.532923 3.574875       10.95902 
1 1 1 18  4  18 o 83.90768 5.385030 613.5863       76.75249 662.3392       131.9952 588.6812       94.34139 85.60289 9.172424 81.67944 6.826324 3.923454       11.43381 
1 1 1 18  4  19 o 35.26522 10.19586 116.1085       64.87493 50.89154       130.4269 137.5484       74.78217 33.36163 13.87097 38.16433 10.92135 -4.802692      17.65445 
1 1 1 18  4  20 o 63.13614 6.339944 353.4739       67.43089 311.5205       114.8713 375.5307       83.29141 56.52023 12.25477 64.54055 7.709890 -8.020317      14.47832 
1 1 1 18  5  0  o 114.5350 5.536451 1123.738       108.2858 1126.128       139.5854 1120.126       171.6046 114.3072 7.187558 113.7174 8.908127 0.5897980      11.44621 
1 1 1 18  5  1  o 214.9201 5.340106 3956.433       195.9877 3867.322       275.6591 4047.523       278.7031 212.1401 7.609349 217.0426 7.519602 -4.902481      10.69797 
1 1 1 18  5  2  o 124.5544 4.381381 1327.649       93.19061 1307.397       138.4449 1344.427       126.0133 123.2484 6.601988 125.2234 5.892901 -1.974983      8.849437 
1 1 1 18  5  3  o 93.92539 4.652601 755.2839       74.62439 677.4370       109.8317 822.0380       101.7058 88.47881 7.335354 97.70226 6.126920 -9.223450      9.557539 
1 1 1 18  5  4  o 248.5380 4.666756 5289.337       198.0659 5187.077       324.2951 5350.178       250.1411 245.5112 7.735122 249.7565 5.864976 -4.245331      9.707217 
1 1 1 18  5  5  o 114.1860 4.493871 1116.365       87.62653 1044.025       130.3930 1175.938       118.3288 109.9924 6.978218 116.9224 5.945997 -6.930016      9.167900 
1 1 1 18  5  6  o 139.8092 11.72710 1713.102       277.3943 1768.195       408.1039 1665.790       378.1913 139.9398 17.45731 136.1187 16.61500 3.821152       24.10012 
1 1 1 18  5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  5  8  o 67.60521 6.765042 396.7207       77.05196 360.0320       92.88750 477.6625       137.9677 64.00716 8.725555 73.28020 11.39552 -9.273048      14.35246 
1 1 1 18  5  9  o 93.08881 4.581416 742.3356       72.82813 616.5815       113.5777 830.1443       94.90758 84.18791 7.996245 98.19161 5.684422 -14.00370      9.810841 
1 1 1 18  5  10 o 99.40031 4.585066 846.7206       77.82790 702.9108       118.7789 954.9128       103.0251 89.92600 7.812486 105.2954 5.751463 -15.36942      9.701250 
1 1 1 18  5  11 o 142.1421 4.481362 1732.332       108.7764 1697.462       188.2622 1749.808       133.2743 139.8733 7.914270 142.7118 5.468707 -2.838470      9.619897 
1 1 1 18  5  12 o 60.93361 6.530879 324.0070       66.89741 259.4514       102.9088 371.2523       88.03694 53.24193 11.64305 64.91740 8.119043 -11.67546      14.19435 
1 1 1 18  5  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  5  14 o 31.54662 9.295119 89.03890       53.46576 97.24490       86.26540 83.92067       68.12888 34.41626 11.97599 31.61857 10.65331 2.797684       16.02864 
1 1 1 18  5  15 o 88.76814 4.994851 681.4376       75.40721 556.4316       132.2291 741.6849       91.79742 78.61984 10.08124 92.40933 5.847331 -13.78949      11.65430 
1 1 1 18  5  16 o 88.74953 4.987702 682.0787       75.28426 485.0384       118.8349 814.1780       97.30087 73.27438 9.738277 96.72173 5.919511 -23.44735      11.39626 
1 1 1 18  5  17 o 120.2917 4.477885 1248.754       91.98362 1209.357       153.3522 1270.894       114.9601 116.9302 7.723506 121.0048 5.563427 -4.074623      9.518627 
1 1 1 18  5  18 o 74.90746 5.866131 491.8498       74.43805 553.6201       127.4816 459.8933       91.69315 77.78559 9.815782 71.79178 7.594593 5.993813       12.41078 
1 1 1 18  5  19 o 206.1885 4.884765 3688.470       171.9927 3798.991       286.2920 3626.056       215.1442 206.3842 8.123269 203.4592 6.192277 2.925049       10.21429 
1 1 1 18  5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  6  0  o 206.3695 5.187921 3647.791       182.8272 3515.733       256.5742 3784.011       260.5859 202.2661 7.428274 209.8697 7.271084 -7.603607      10.39461 
1 1 1 18  6  1  o 170.8524 5.067846 2500.307       147.8586 2374.017       200.3092 2651.497       219.1683 166.2345 7.056313 175.6421 7.307139 -9.407547      10.15804 
1 1 1 18  6  2  f 86.97765 4.921739 649.9934       72.80201 591.3411       109.2368 696.8630       97.64996 82.53201 7.845118 89.88130 6.403979 -7.349289      10.12703 
1 1 1 18  6  3  o 226.7012 4.694114 4401.129       181.7228 4528.377       305.6094 4331.528       226.0224 229.3588 7.802780 224.7109 5.890135 4.647842       9.776353 
1 1 1 18  6  4  o 232.8385 4.723263 4643.425       187.8014 4466.441       316.2090 4739.875       233.4307 227.6613 8.133605 235.0552 5.815489 -7.393860      9.998773 
1 1 1 18  6  5  o 160.2437 4.957606 2200.315       135.6609 2116.202       192.6512 2283.050       191.0657 156.8422 7.192945 162.9621 6.865848 -6.119843      9.943757 
1 1 1 18  6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  6  8  o 154.0806 4.340016 2033.113       114.1934 2153.431       188.4293 1963.274       143.5595 158.2023 6.974831 151.2672 5.557575 6.935074       8.918235 
1 1 1 18  6  9  o 103.0348 4.655903 909.7510       81.91998 975.3131       125.0665 860.4854       108.4144 106.2275 6.932499 99.84570 6.392072 6.381821       9.429641 
1 1 1 18  6  10 o 106.2342 4.901927 968.1866       88.92685 1153.209       140.6617 845.0016       114.7736 115.4150 7.172421 98.79480 6.845284 16.62023       9.914713 
1 1 1 18  6  11 o 33.70163 9.935966 100.9898       61.07624 76.48267       90.81258 121.2305       82.52998 32.87170 12.17955 37.17988 11.67215 -4.308174      16.86951 
1 1 1 18  6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  6  13 o 180.8855 4.434597 2811.262       136.9809 2500.523       232.1161 2977.311       169.6775 169.3967 8.024138 185.8881 5.345283 -16.49139      9.641517 
1 1 1 18  6  14 f 89.66837 4.857928 694.4951       74.10867 710.3105       123.0168 685.4858       92.84779 89.78175 8.111287 88.77354 6.162899 1.008209       10.18697 
1 1 1 18  6  15 o 51.40340 8.008166 236.6873       68.00565 211.7265       111.4504 251.4939       85.83789 47.32478 13.26012 52.41754 9.953610 -5.092754      16.58027 
1 1 1 18  6  16 o 90.47385 4.841028 708.9814       74.52212 627.3689       123.2998 755.9525       93.54050 83.73853 8.751849 93.11069 5.913665 -9.372154      10.56250 
1 1 1 18  6  17 o 65.59023 6.604875 380.0958       72.97202 393.4804       120.4768 372.3402       91.70819 64.78409 11.30114 64.18776 8.581538 0.5963287      14.19009 
1 1 1 18  6  18 o 163.9924 4.491317 2325.490       125.7764 2201.326       210.6228 2394.309       156.8052 157.5481 7.828709 165.8604 5.536251 -8.312286      9.588470 
1 1 1 18  6  19 o 44.99275 8.640355 187.4355       63.97276 281.4203       114.5830 144.8723       77.10973 53.40956 12.74133 38.88610 11.07692 14.52347       16.88312 
1 1 1 18  7  0  o 55.73948 7.092429 271.2274       65.97965 253.7569       83.57433 300.1307       107.4963 53.42918 9.508440 57.85692 11.28547 -4.427734      14.75711 
1 1 1 18  7  1  o 155.8295 4.900115 2080.079       130.3941 2096.315       180.7064 2062.441       188.3406 156.2062 6.774439 154.8889 7.120680 1.317276       9.828383 
1 1 1 18  7  2  o 26.85967 9.787029 51.01823       58.25238 38.78283       73.11901 72.27671       96.38010 27.37233 10.73381 33.24783 12.50202 -5.875502      16.47772 
1 1 1 18  7  3  o 237.3874 5.031491 4829.187       203.9653 4957.252       341.8591 4758.401       254.1585 239.7488 8.350045 235.3927 6.322804 4.356094       10.47383 
1 1 1 18  7  4  o 206.1110 15.37897 3773.707       537.3926 3365.701       993.3765 3942.514       638.9633 182.5604 33.08252 209.1818 18.06476 -26.62137      37.69335 
1 1 1 18  7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  7  7  o 181.9800 4.593266 2837.201       142.7405 2914.976       231.2286 2789.314       181.4380 183.9704 7.360234 180.2406 5.894862 3.729828       9.429871 
1 1 1 18  7  8  f 122.7848 4.524587 1291.696       94.86927 1318.161       147.8443 1273.171       123.6937 123.5393 7.037180 121.7484 5.949526 1.790947       9.215137 
1 1 1 18  7  9  o 112.8342 4.835299 1092.031       93.16786 1152.175       146.7191 1051.391       120.6048 115.2977 7.492496 110.3395 6.428617 4.958244       9.872416 
1 1 1 18  7  10 o 62.02234 6.630589 335.4737       69.13859 176.4305       103.1962 465.0034       93.13024 44.13078 12.88829 72.93082 7.589016 -28.80005      14.95664 
1 1 1 18  7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  7  12 o 41.78352 8.701628 157.9645       60.07098 223.4677       96.11971 115.9841       76.94930 49.19610 11.62566 36.14951 11.25791 13.04659       16.18322 
1 1 1 18  7  13 o 68.16297 5.569771 403.7106       64.26526 327.8798       106.2425 447.4669       80.70408 59.91987 10.77942 71.52281 6.685209 -11.60294      12.68416 
1 1 1 18  7  14 o 65.86476 5.830130 378.3559       64.89675 288.8802       103.7496 435.8670       83.17818 55.85238 11.26654 70.41740 7.010345 -14.56503      13.26951 
1 1 1 18  7  15 o 78.23698 5.321741 531.9237       70.67711 495.7323       113.3096 554.9719       90.42364 74.26922 9.126235 79.51647 6.722193 -5.247253      11.33473 
1 1 1 18  7  16 o 18.00537 8.203753 -31.55581      55.63701 68.39073       81.87260 -117.3132      75.83862 30.57227 11.51750 17.26840 8.360812 13.30387       14.23222 
1 1 1 18  7  17 f 74.38103 5.307158 482.9308       66.96788 391.2835       111.3267 534.8986       83.83144 64.90942 10.39435 77.94126 6.353798 -13.03184      12.18250 
1 1 1 18  7  18 o 55.17345 7.373665 273.8299       67.73475 424.8091       118.1031 199.8270       82.68504 67.33283 10.62373 45.75590 10.76250 21.57693       15.12267 
1 1 1 18  7  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  8  0  o 55.98148 6.483066 272.7312       60.82949 250.1443       78.48416 306.7117       96.26524 53.11587 8.972404 58.74216 9.951929 -5.626293      13.39944 
1 1 1 18  8  1  o 238.1147 5.483153 4862.567       222.9556 4786.069       320.2848 4934.488       310.5541 235.6592 7.958844 239.3837 7.596974 -3.724533      11.00260 
1 1 1 18  8  2  f 275.7454 5.969969 6527.183       281.1139 6300.397       404.1903 6739.666       391.2362 270.0768 8.763886 279.5347 8.195992 -9.457916      11.99917 
1 1 1 18  8  3  o 262.0127 31.33098 6800.342       1374.035 0.000000       0.000000 6800.342       1374.035 ?        ?        262.0127 31.33098 0.000000       31.33098 
1 1 1 18  8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  8  5  o 171.6680 4.465735 2524.058       130.9134 2253.579       207.5999 2702.627       168.6802 161.7505 7.515876 177.4846 5.565466 -15.73407      9.352156 
1 1 1 18  8  6  o 233.4803 4.911910 4673.013       195.8405 4766.253       326.7472 4620.738       244.6549 234.9855 8.142708 231.9034 6.177957 3.082077       10.22110 
1 1 1 18  8  7  o 89.98354 5.526325 697.5921       84.50740 720.5947       125.7190 678.6312       114.1411 90.98572 8.178828 88.38604 7.637378 2.599678       11.19030 
1 1 1 18  8  8  o 69.14870 6.135060 414.4884       71.69205 648.8813       110.2528 242.7763       94.36652 86.36742 7.551368 51.76548 11.01361 34.60194       13.35375 
1 1 1 18  8  9  o 81.06914 5.587282 567.9040       76.87734 505.4504       115.9338 616.9190       102.7060 75.67862 9.157193 84.18960 7.213570 -8.510979      11.65718 
1 1 1 18  8  10 o 40.19389 10.74164 147.3221       75.13863 168.2676       93.95216 110.1492       125.1627 42.92278 12.22699 38.58479 14.29821 4.337990       18.81324 
1 1 1 18  8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  8  12 o 18.06653 8.263424 -36.78325      57.14389 -116.0068      82.00540 37.99673       79.67241 18.49987 8.891129 27.77838 11.10425 -9.278507      14.22521 
1 1 1 18  8  13 o 113.9276 4.438016 1117.068       86.34155 1148.930       145.0038 1099.566       107.4706 114.4923 7.457232 112.7726 5.580640 1.719681       9.314175 
1 1 1 18  8  14 o 89.64528 4.766768 695.1735       72.70928 559.5877       121.3652 771.0818       90.80963 78.98752 9.168275 94.17803 5.672990 -15.19051      10.78147 
1 1 1 18  8  15 o 36.60736 8.746387 123.6204       53.92847 97.90549       91.05148 137.5157       66.93134 34.31884 12.27164 38.39863 10.07953 -4.079796      15.88050 
1 1 1 18  8  16 o 42.02242 7.532997 160.2486       52.07110 138.0704       94.22851 169.9986       62.47706 38.52921 12.51375 42.90560 8.821826 -4.376385      15.31073 
1 1 1 18  8  17 o 106.6033 4.588283 983.8997       83.52619 959.4308       140.5581 997.2573       103.8518 103.5465 8.011447 106.7764 5.716301 -3.229820      9.841716 
1 1 1 18  8  18 o 110.3506 4.687096 1057.029       88.32431 1038.182       145.4835 1068.030       111.1531 107.4505 7.985803 110.2390 5.926264 -2.788490      9.944529 
1 1 1 18  9  0  o 81.16354 5.447171 567.5950       75.06004 501.0218       97.16250 666.1292       118.2067 75.88967 7.599597 87.53455 7.996189 -11.64488      11.03145 
1 1 1 18  9  1  o 63.01535 17.10412 366.7524       188.7686 285.0509       430.5657 386.1931       210.0298 65.73362 25.96081 64.60629 18.23878 1.127335       31.72722 
1 1 1 18  9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9  4  o 154.3373 5.235462 2042.998       137.9837 1926.012       184.1346 2192.827       208.3846 149.5527 7.210068 159.4905 7.651189 -9.937805      10.51312 
1 1 1 18  9  5  o 107.1859 5.261543 985.5893       96.30584 972.4362       139.4959 997.5679       133.1216 105.8996 7.767938 107.3599 7.304569 -1.460297      10.66291 
1 1 1 18  9  6  o 190.6413 4.810467 3116.434       156.6052 3023.765       248.8154 3177.228       201.5306 187.1416 7.785830 192.2348 6.139134 -5.093155      9.915045 
1 1 1 18  9  7  o 77.52502 6.031050 520.1381       79.21460 553.5409       115.4825 490.4548       108.8630 79.44710 8.651971 74.71912 8.694491 4.727982       12.26584 
1 1 1 18  9  8  o 130.5507 4.565913 1462.730       101.7909 1588.347       165.4165 1386.173       129.1360 135.3469 7.182666 126.8593 5.961055 8.487640       9.334070 
1 1 1 18  9  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9  11 o 123.5475 4.550676 1313.042       96.00894 1293.873       166.7877 1322.542       117.4125 121.4220 8.090179 123.7684 5.555239 -2.346352      9.813852 
1 1 1 18  9  12 f 104.9029 4.687454 948.0406       83.97047 876.0048       135.3494 993.1160       107.0660 99.69334 8.018200 106.9393 5.885552 -7.245972      9.946420 
1 1 1 18  9  13 o 23.05758 9.250531 24.77639       55.51153 -15.89224      84.46499 55.69857       73.65158 24.04680 10.58969 28.65616 10.89331 -4.609364      15.19230 
1 1 1 18  9  14 o 28.59666 9.688131 69.41237       56.34629 -42.77875      88.42746 146.1042       73.11095 22.87722 10.39213 39.50264 10.61216 -16.62542      14.85309 
1 1 1 18  9  15 o 72.74926 5.644801 463.2704       69.57693 474.2332       111.1241 456.2014       89.23241 72.18298 9.226200 71.56245 7.409224 0.6205215      11.83298 
1 1 1 18  9  16 o 129.9424 4.539837 1461.245       100.7380 1369.555       178.3349 1504.213       122.0811 123.4911 8.508575 131.4572 5.438290 -7.966034      10.09806 
1 1 1 18  9  17 o 34.36584 9.579423 111.1776       58.32294 225.6038       112.3321 68.94783       68.24174 47.49462 13.31415 29.13615 10.59659 18.35847       17.01629 
1 1 1 18  10 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  10 2  o 24.57020 9.576202 32.48150       57.92590 39.48506       66.79109 11.22705       116.3548 26.56766 10.30286 30.64915 12.94508 -4.081490      16.54461 
1 1 1 18  10 3  o 104.0512 5.309310 931.3626       94.02424 880.8065       125.2167 996.7181       142.3694 100.8367 7.321733 107.1925 7.831896 -6.355858      10.72130 
1 1 1 18  10 4  o 126.8819 5.366783 1381.810       116.2828 1297.865       151.0465 1503.948       182.1965 122.4948 7.253200 131.6809 8.142380 -9.186096      10.90446 
1 1 1 18  10 5  o 90.97655 6.517959 716.3674       100.5902 641.4676       123.4710 864.1942       173.4608 85.63226 8.558175 99.00671 10.41591 -13.37445      13.48086 
1 1 1 18  10 6  o 37.81715 10.32446 129.1752       68.54559 93.37364       91.69598 174.5201       103.1961 34.66596 12.32357 43.92738 12.90529 -9.261417      17.84424 
1 1 1 18  10 7  o 129.1401 4.732072 1432.525       104.3553 1252.764       160.8995 1563.043       137.1019 119.8784 7.904157 134.6583 5.962224 -14.77985      9.900698 
1 1 1 18  10 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  10 9  o 77.10190 5.993722 516.6513       78.29551 718.4734       117.0536 353.2449       105.3258 90.54874 7.641466 62.51239 10.21981 28.03634       12.76074 
1 1 1 18  10 10 o 26.57888 9.854474 50.00677       59.46931 22.98664       85.59819 75.21732       82.68221 27.20171 11.26741 31.70896 11.64388 -4.507246      16.20292 
1 1 1 18  10 11 o 74.18433 5.669033 478.9049       71.27262 604.9350       110.4367 388.9439       93.30472 82.74087 7.912603 66.01296 8.472537 16.72791       11.59281 
1 1 1 18  10 12 o 48.97893 8.071317 216.0700       65.15608 216.8312       95.29856 215.4017       89.28442 47.97455 11.73039 47.97912 11.11533 -0.4566193E-02 16.16022 
1 1 1 18  10 13 f 32.08313 9.976160 92.96984       60.45116 128.9194       89.11475 62.32623       82.27589 37.55833 12.16712 30.03448 11.49046 7.523859       16.73528 
1 1 1 18  10 14 o 34.82888 9.573329 113.0011       58.70126 95.60880       90.62539 125.5729       77.04938 33.85447 12.22686 36.68417 11.23913 -2.829700      16.60765 
1 1 1 18  10 15 o 86.22541 5.118165 647.9977       75.02429 612.7437       121.0992 669.9570       95.57539 82.25255 8.756279 87.15766 6.467656 -4.905113      10.88591 
1 1 1 18  10 16 o 70.94174 5.777294 443.1211       69.38084 370.0383       110.6908 490.4137       89.04325 62.51204 10.75719 74.08956 7.125772 -11.57752      12.90325 
1 1 1 18  11 0  o 55.56626 7.035561 270.1110       65.26372 220.6090       81.69799 357.4103       108.4940 49.53066 10.00354 63.30217 10.39768 -13.77151      14.42853 
1 1 1 18  11 1  o 65.84772 6.555402 376.7339       72.73280 471.6820       94.51646 238.8695       113.8912 73.55020 7.636584 51.13732 13.01064 22.41288       15.08623 
1 1 1 18  11 2  o 39.38877 9.349072 139.9772       61.94194 30.04785       78.35925 323.0905       101.1331 27.16285 10.95771 60.13258 10.21415 -32.96973      14.98000 
1 1 1 18  11 3  o 141.5216 5.242163 1719.932       126.6879 1528.638       166.5255 1982.775       195.1988 132.8515 7.369172 151.4868 7.545718 -18.63525      10.54716 
1 1 1 18  11 4  o 45.26065 10.07363 185.7672       75.85457 292.8909       94.63737 -6.712425      126.8564 57.11222 10.07166 30.63120 13.23915 26.48102       16.63471 
1 1 1 18  11 5  o 37.36724 10.77195 125.7764       72.50860 101.0092       90.16199 171.1202       121.9957 35.26895 12.24513 43.98276 14.23461 -8.713810      18.77678 
1 1 1 18  11 6  o 91.02026 5.777276 717.2136       89.33192 835.8371       126.2885 598.4172       126.3804 97.81427 7.620799 82.22454 9.156203 15.58973       11.91271 
1 1 1 18  11 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  11 8  o 50.48953 8.165526 228.0739       67.99900 200.0807       96.47255 255.7131       95.86060 46.36300 12.06795 52.70324 11.00642 -6.340244      16.33330 
1 1 1 18  11 9  o 62.39970 6.591199 341.8001       69.17133 287.1669       102.2157 387.9567       93.95200 55.75365 11.12587 65.94872 8.543311 -10.19507      14.02758 
1 1 1 18  11 10 o 40.87983 9.174416 153.4371       62.47281 228.0519       91.03290 87.01335       85.89095 49.47568 11.05334 33.05637 11.90835 16.41930       16.24762 
1 1 1 18  11 11 o 47.88451 8.020979 206.8854       63.26834 117.4090       94.85526 278.5950       84.91724 36.67195 12.56937 55.28771 9.326103 -18.61576      15.65136 
1 1 1 18  11 12 o 76.65196 5.687244 513.4758       73.91276 440.2312       112.6146 568.9052       97.96636 69.39037 9.774579 80.15315 7.235389 -10.76278      12.16114 
1 1 1 18  11 13 o 98.47655 4.976404 843.1148       83.41426 805.3884       131.8796 868.2720       107.6927 94.78782 8.229140 99.37274 6.379967 -4.584923      10.41262 
1 1 1 18  11 14 o 96.44408 4.976278 809.5920       81.67695 765.8147       130.6597 837.6710       104.6423 92.19867 8.390612 97.54729 6.315788 -5.348618      10.50198 
1 1 1 18  11 15 o 31.50298 9.967830 91.26770       60.07948 -71.92299      91.66761 214.1540       79.54629 21.55638 10.06921 47.49600 10.11737 -25.93962      14.27411 
1 1 1 18  12 0  o 76.93682 5.977731 512.2615       77.92007 480.6227       110.9133 543.0945       109.4917 73.87953 8.975758 78.76871 8.263099 -4.889175      12.20012 
1 1 1 18  12 1  o 75.93198 6.306483 500.0977       81.03375 368.6075       110.7656 651.5084       118.8602 64.13527 10.47530 86.32956 8.159332 -22.19429      13.27805 
1 1 1 18  12 2  o 127.9663 5.472254 1408.686       119.5814 1308.977       158.8407 1539.128       181.6780 122.7004 7.618427 132.9560 8.039695 -10.25563      11.07597 
1 1 1 18  12 3  o 46.29510 11.28064 196.7140       88.36274 166.3120       109.2613 254.1896       150.2302 43.03252 13.41715 52.29820 15.62314 -9.265682      20.59375 
1 1 1 18  12 4  o 19.50892 9.096171 -66.53124      74.26705 -45.69636      98.45496 -94.03787      113.1256 24.50996 11.06590 24.22259 11.27134 0.2873726      15.79548 
1 1 1 18  12 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  12 6  o 66.19817 7.449285 386.1140       82.74670 362.8240       105.5897 423.1806       133.2074 63.33837 10.10168 67.83148 11.93577 -4.493111      15.63670 
1 1 1 18  12 7  o 50.05107 8.411757 225.3472       69.34526 274.3065       95.28342 170.2125       101.1141 54.64891 10.59263 42.86569 12.81998 11.78323       16.62996 
1 1 1 18  12 8  o 83.33852 5.606576 603.6997       79.32542 598.8752       117.0560 607.7969       107.8721 82.08514 8.472635 82.98128 7.700244 -0.8961411     11.44899 
1 1 1 18  12 9  o 72.60458 5.960234 460.5515       73.24541 445.5097       109.1435 472.8766       98.79694 70.26916 9.325981 72.90260 8.071378 -2.633438      12.33374 
1 1 1 18  12 10 o 67.32330 6.558136 399.3186       74.43864 436.2197       106.1991 363.6783       104.3690 69.41560 9.184599 62.93783 10.04887 6.477772       13.61384 
1 1 1 18  12 11 o 36.15085 9.975154 122.1236       63.58911 136.3591       91.36147 108.7474       88.56106 38.28926 12.31076 35.14660 12.13971 3.142666       17.28951 
1 1 1 18  12 12 o 52.27807 7.894787 247.7209       68.28362 273.3209       99.12598 224.6033       94.19762 53.55542 11.19905 48.30437 11.57172 5.251045       16.10353 
1 1 1 18  12 13 o 111.2939 5.000684 1076.303       95.03918 925.9199       156.7065 1163.799       119.5312 100.8137 9.204101 115.0922 6.103634 -14.27844      11.04399 
1 1 1 18  12 14 o 80.53906 5.665504 570.5651       77.42342 375.8064       116.6636 723.8553       103.5009 62.51132 11.34676 90.21742 6.767492 -27.70610      13.21165 
1 1 1 18  13 0  o 128.7073 5.105822 1425.120       112.2201 1427.462       160.6615 1422.888       156.8148 128.0893 7.376267 127.9372 7.207101 0.1520920      10.31269 
1 1 1 18  13 1  o 128.9995 5.051845 1432.219       111.2858 1346.109       158.7181 1515.488       156.0790 124.2499 7.515829 132.0567 6.945616 -7.806839      10.23373 
1 1 1 18  13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  13 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  13 4  o 106.7175 5.709154 987.0384       103.6650 932.2823       136.4897 1061.684       159.3626 103.0382 7.815313 109.6928 8.575813 -6.654610      11.60275 
1 1 1 18  13 5  o 109.0492 5.688984 1031.519       105.5727 1141.664       140.3972 888.2005       160.1497 114.1979 7.236842 99.75336 9.516932 14.44456       11.95591 
1 1 1 18  13 6  o 57.59325 8.014810 296.3106       76.68895 250.2843       98.02042 368.9437       123.1348 51.76592 11.39699 62.92356 11.89533 -11.15764      16.47392 
1 1 1 18  13 7  o 50.92929 8.303593 234.0302       69.72768 377.5359       96.48958 77.17947       100.8763 64.72142 8.971610 33.23107 12.72085 31.49035       15.56631 
1 1 1 18  13 8  o 115.6481 4.904271 1156.369       96.85340 1166.660       147.0623 1148.487       128.7082 114.9688 7.532281 114.4947 6.611049 0.4741287      10.02204 
1 1 1 18  13 9  o 100.2579 5.088964 873.4709       86.84072 962.4521       133.1989 807.6873       114.5276 104.1957 7.536851 95.62637 7.063427 8.569290       10.32938 
1 1 1 18  13 10 o 24.74153 9.803957 34.54809       61.59514 106.0040       85.34553 -43.13358      88.98583 34.56881 11.91859 22.78001 10.37761 11.78880       15.80340 
1 1 1 18  13 11 o 81.63303 6.027741 586.3924       83.43333 551.0337       117.4289 622.4382       118.5644 77.72146 9.015166 82.94430 8.490448 -5.222839      12.38390 
1 1 1 18  13 12 o 37.42438 10.20705 133.3622       67.03460 73.52003       93.01837 198.0228       96.69072 31.57157 12.18226 44.86693 12.26769 -13.29536      17.28884 
1 1 1 18  13 13 o 76.42046 6.916891 522.2332       89.28737 563.0451       131.5193 487.3422       121.6054 77.42730 10.19493 71.97987 10.17702 5.447426       14.40515 
1 1 1 18  14 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  14 1  o 26.48217 10.72429 30.43422       75.36886 27.21660       92.84783 36.65053       129.0539 28.41726 11.74993 33.07422 13.77848 -4.656965      18.10821 
1 1 1 18  14 2  o 69.30132 6.669004 421.2801       77.94868 552.0658       104.8241 259.5055       116.5833 79.03577 7.871402 52.31821 13.08326 26.71755       15.26862 
1 1 1 18  14 3  o 25.41415 10.34786 26.56194       70.61493 21.18877       97.86192 32.39860       101.9955 28.46160 11.93838 29.77147 12.31294 -1.309874      17.15032 
1 1 1 18  14 4  o 98.48924 5.402499 842.0843       90.51572 843.9146       127.4619 840.2223       128.5624 97.77858 7.695895 97.52661 7.784349 0.2519684      10.94636 
1 1 1 18  14 5  o 87.47400 6.046504 668.2938       89.76596 680.5426       119.2796 652.2962       136.3157 87.52296 8.071673 85.01974 9.554576 2.503212       12.50767 
1 1 1 18  14 6  o 92.92419 5.830441 753.6926       92.05048 593.2369       122.4157 962.4641       139.6353 81.16170 8.983148 104.1417 7.910919 -22.98004      11.96994 
1 1 1 18  14 7  o 40.95595 10.78304 158.7169       76.45170 172.7483       91.48443 126.2314       139.2013 42.48890 12.05214 39.42720 14.97868 3.061699       19.22537 
1 1 1 18  14 8  o 106.7155 5.728586 996.2761       104.0127 953.6436       137.9938 1052.361       158.2755 103.3032 7.881957 108.0633 8.649451 -4.760147      11.70206 
1 1 1 18  14 9  f 73.78777 6.410631 481.7619       79.97414 420.9044       111.3973 546.4891       114.8844 67.28037 9.999960 77.45405 8.844495 -10.17368      13.35007 
1 1 1 18  14 10 o 85.10023 5.702359 635.9846       82.38878 691.3523       121.0679 588.2268       112.4405 87.48745 8.199307 80.60083 8.287282 6.886620       11.65794 
1 1 1 18  14 11 o 64.32095 8.068455 376.9193       86.67251 365.9904       123.0473 387.6815       122.1050 61.03426 12.23191 63.16845 11.75212 -2.134193      16.96267 
1 1 1 18  14 12 f 26.42014 10.65130 39.35824       73.98705 79.16058       88.76534 -51.22942      133.9133 31.52393 11.96475 27.53678 12.61513 3.987150       17.38669 
1 1 1 18  15 0  o 40.93097 10.82317 156.4348       76.80629 152.7576       96.10692 162.9349       127.7767 40.58804 12.57189 42.50112 14.58745 -1.913078      19.25736 
1 1 1 18  15 1  o 54.11313 9.006836 266.2251       80.30383 261.5401       102.2572 273.7634       129.7107 52.66391 11.67674 53.07850 14.07942 -0.4145889     18.29143 
1 1 1 18  15 2  o 86.30840 6.603492 654.0031       96.58749 636.0986       124.1921 681.4102       153.6541 84.24530 8.760839 86.28524 10.65438 -2.039940      13.79377 
1 1 1 18  15 3  o 65.22310 7.114121 377.3352       77.95129 329.6542       111.1869 423.4255       109.3165 59.23071 11.40654 68.12342 9.668241 -8.892715      14.95273 
1 1 1 18  15 4  o 53.17897 8.454315 257.0606       74.20534 153.5802       94.34938 424.8793       120.1518 40.30940 12.45159 67.58309 10.77262 -27.27369      16.46486 
1 1 1 18  15 5  o 54.52907 8.220769 269.9797       74.17157 252.4808       95.85102 296.0972       117.0999 51.47741 11.22054 55.15252 12.69629 -3.675106      16.94392 
1 1 1 18  15 6  o 55.89803 7.753893 282.5469       72.02137 336.0456       98.16797 220.1852       105.9882 60.06901 9.916160 47.28075 12.80928 12.78826       16.19901 
1 1 1 18  15 7  o 114.2644 5.169384 1136.871       100.8676 1121.200       146.6564 1150.939       138.9519 111.9153 7.721013 113.7419 7.190904 -1.826569      10.55098 
1 1 1 18  15 8  o 85.70634 5.916043 646.8510       86.05556 549.6381       118.7028 754.5457       124.9384 77.34129 9.166039 91.43369 8.085138 -14.09240      12.22235 
1 1 1 18  15 9  o 30.54352 10.66365 81.86171       68.42223 48.15301       88.68140 131.4442       107.5538 28.79262 11.64238 37.57200 13.34778 -8.779383      17.71181 
1 1 1 18  15 10 o 70.77895 6.405981 446.6369       76.58781 483.8359       111.5915 413.5113       105.3047 72.09679 9.279244 66.41811 9.559965 5.678688       13.32281 
1 1 1 18  16 0  o 42.01721 10.95842 167.5278       79.44592 227.3010       98.48301 56.14894       134.4341 48.63645 11.94462 34.12772 14.12703 14.50872       18.49991 
1 1 1 18  16 1  o 39.14806 10.99100 145.3924       76.49061 173.6059       98.13993 101.7299       122.0876 42.43063 12.61647 36.35504 13.97604 6.075588       18.82831 
1 1 1 18  16 2  o 46.32536 10.53626 203.8038       81.46857 125.8431       108.1434 306.1070       123.8815 37.56870 13.38028 55.69463 13.22288 -18.12593      18.81161 
1 1 1 18  16 3  o 107.1880 5.805963 1007.675       105.8766 1085.359       155.7756 940.9776       144.3414 109.7167 8.377602 102.1407 8.348404 7.576027       11.82709 
1 1 1 18  16 4  o 26.22727 11.08915 18.94998       85.52791 -40.00936      109.5814 110.8492       136.8096 25.53763 11.58828 37.49363 14.68803 -11.95600      18.70899 
1 1 1 18  16 5  o 44.56154 10.75743 191.4431       80.92893 274.3883       118.1627 118.1593       111.0680 52.26321 13.22806 36.64983 13.48980 15.61338       18.89329 
1 1 1 18  16 6  o 24.91822 10.12602 30.91243       67.45203 -25.22442      84.49639 129.5316       111.9940 22.96948 10.32188 37.60773 13.59063 -14.63824      17.06594 
1 1 1 18  16 7  o 21.41143 9.690917 -29.22722      76.05062 -4.728566      100.7794 -61.63046      115.9031 26.23328 11.55916 25.04755 11.56930 1.185732       16.35429 
1 1 1 18  16 8  o 43.01000 10.07277 178.7434       72.68053 225.0802       95.24375 114.1410       112.4598 47.50671 11.79476 35.89183 13.50305 11.61488       17.92899 
1 1 1 18  17 0  o 65.66109 8.958074 397.3854       97.82308 552.7625       143.0974 261.0703       134.0325 76.05108 11.36734 50.22433 14.69401 25.82675       18.57768 
1 1 1 18  17 1  o 66.82213 15.58223 469.9894       174.5379 0.000000       0.000000 469.9894       174.5379 ?        ?        66.82213 15.58223 0.000000       15.58223 
1 1 1 18  17 2  o 30.92204 11.72253 74.84369       85.14469 9.764910       111.2495 166.8685       132.2912 28.37873 12.33164 41.44140 14.79475 -13.06267      19.26017 
1 1 1 18  17 3  o 76.99457 7.218692 532.7552       93.80382 474.3052       133.9903 588.9379       131.3659 69.96275 11.62299 79.31493 9.915630 -9.352173      15.27788 
1 1 1 18  17 4  o 39.01732 12.37876 150.2333       92.60915 141.5551       140.3070 156.9328       123.2776 39.31095 15.01329 40.07023 14.28433 -0.7592812     20.72296 
1 1 1 18  17 5  f 34.11950 12.32351 105.8334       92.06633 -22.08299      139.8654 203.6355       122.2986 29.22399 13.19223 44.18775 14.24720 -14.96375      19.41694 
1 1 1 18  18 0  o 49.68139 10.05294 237.6455       82.35997 179.4608       115.3037 298.2550       117.6819 41.86354 13.85464 53.99406 12.93351 -12.13052      18.95328 
1 1 1 18  18 1  o 44.24188 10.93425 193.6002       82.13416 208.3548       115.3881 178.4465       116.9379 44.61656 13.76808 41.62705 13.95749 2.989513       19.60539 
1 1 1 18  18 2  o 54.57785 9.613115 284.3453       86.32185 337.8253       122.6456 231.8449       121.5173 57.39825 12.83465 46.69656 14.07402 10.70169       19.04748 
1 1 1 19  0  0  f 58.54705 10.88374 322.6512       97.77003 322.6512       97.77003 322.6512       97.77003 58.54705 10.88374 58.54705 10.88374 0.000000       0.000000 
1 1 1 19  0  1  o 268.1793 8.451840 6181.802       386.1896 6181.802       386.1896 6181.802       386.1896 268.1793 8.451840 268.1793 8.451840 0.000000       0.000000 
1 1 1 19  0  2  o 143.6697 6.393556 1776.781       156.1520 1776.781       156.1520 1776.781       156.1520 143.6697 6.393556 143.6697 6.393556 0.000000       0.000000 
1 1 1 19  0  3  o 35.78109 13.44854 148.4490       76.81122 148.4490       76.81122 148.4490       76.81122 35.78109 13.44854 35.78109 13.44854 0.000000       0.000000 
1 1 1 19  0  4  o 182.9767 7.318620 2881.871       227.8481 2881.871       227.8481 2881.871       227.8481 182.9767 7.318620 182.9767 7.318620 0.000000       0.000000 
1 1 1 19  0  5  o 271.5226 8.827713 6346.896       408.3334 6346.896       408.3334 6346.896       408.3334 271.5226 8.827713 271.5226 8.827713 0.000000       0.000000 
1 1 1 19  0  6  o 108.7398 6.633602 1023.839       122.1298 1023.839       122.1298 1023.839       122.1298 108.7398 6.633602 108.7398 6.633602 0.000000       0.000000 
1 1 1 19  0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0  9  o 108.7133 6.118233 1021.494       112.7596 1021.494       112.7596 1021.494       112.7596 108.7133 6.118233 108.7133 6.118233 0.000000       0.000000 
1 1 1 19  0  10 o 233.9318 6.334563 4698.173       252.6313 4698.173       252.6313 4698.173       252.6313 233.9318 6.334563 233.9318 6.334563 0.000000       0.000000 
1 1 1 19  0  11 o 9.589479 7.013569 -177.7373      71.56282 -177.7373      71.56282 -177.7373      71.56282 9.589479 7.013569 9.589479 7.013569 0.000000       0.000000 
1 1 1 19  0  12 o 125.1662 6.391160 1354.652       135.7928 1354.652       135.7928 1354.652       135.7928 125.1662 6.391160 125.1662 6.391160 0.000000       0.000000 
1 1 1 19  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0  14 o 44.04788 15.03770 219.6726       101.5162 219.6726       101.5162 219.6726       101.5162 44.04788 15.03770 44.04788 15.03770 0.000000       0.000000 
1 1 1 19  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0  16 o 14.38981 9.787939 -38.65284      73.27998 -38.65284      73.27998 -38.65284      73.27998 14.38981 9.787939 14.38981 9.787939 0.000000       0.000000 
1 1 1 19  0  17 o 73.88969 8.819007 494.4539       107.0896 494.4539       107.0896 494.4539       107.0896 73.88969 8.819007 73.88969 8.819007 0.000000       0.000000 
1 1 1 19  0  18 o 80.95904 7.732604 584.1979       104.6635 584.1979       104.6635 584.1979       104.6635 80.95904 7.732604 80.95904 7.732604 0.000000       0.000000 
1 1 1 19  0  19 o 28.14158 14.02089 105.8470       81.83736 105.8470       81.83736 105.8470       81.83736 28.14158 14.02089 28.14158 14.02089 0.000000       0.000000 
1 1 1 19  1  0  o 152.9536 4.882908 2002.274       127.5381 2032.801       178.9280 1970.745       181.8396 153.9429 6.806385 151.5521 7.026267 2.390854       9.782397 
1 1 1 19  1  1  o 293.4214 6.125432 7380.142       306.9237 7301.778       431.9125 7460.081       436.2310 291.2825 8.683193 294.4249 8.676412 -3.142365      12.27509 
1 1 1 19  1  2  o 200.9922 5.184065 3459.637       177.9310 3475.007       252.2198 3444.409       251.0491 201.1359 7.343239 200.2487 7.341539 0.8871765      10.38371 
1 1 1 19  1  3  o 293.0398 6.361228 7367.413       318.3240 7104.679       457.8146 7613.318       442.9114 286.9714 9.342198 297.2619 8.725207 -10.29044      12.78303 
1 1 1 19  1  4  o 224.3931 5.393809 4315.000       206.6840 4200.410       285.7485 4440.729       299.3138 221.0019 7.571573 227.2050 7.714485 -6.203110      10.80935 
1 1 1 19  1  5  o 246.4292 4.928442 5201.783       207.3976 4982.399       341.3501 5330.161       261.1212 240.4659 8.312747 249.2318 6.135312 -8.765915      10.33169 
1 1 1 19  1  6  o 56.27204 5.839712 274.5285       55.29877 172.0142       84.30475 351.9446       73.26147 43.68551 11.23689 63.63519 6.849710 -19.94968      13.16003 
1 1 1 19  1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1  9  o 232.2175 4.926534 4621.322       195.3612 4763.149       324.1208 4540.396       244.8331 235.0239 8.075938 229.9202 6.235786 5.103745       10.20323 
1 1 1 19  1  10 o 117.0329 4.488495 1173.393       89.70372 1154.309       128.0088 1191.807       125.7420 115.6851 6.506196 117.5944 6.284451 -1.909225      9.045712 
1 1 1 19  1  11 o 79.81785 5.084659 548.9514       68.94401 462.8707       97.76064 634.1255       97.24453 72.74341 8.002194 85.53960 6.711126 -12.79620      10.44387 
1 1 1 19  1  12 o 166.6790 4.337056 2383.068       123.4462 2303.473       178.9057 2455.404       170.5523 163.4269 6.410602 168.8560 5.914788 -5.429077      8.722416 
1 1 1 19  1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  1  14 o 183.6416 5.513322 2908.200       172.8965 2768.266       200.7889 3309.532       340.0399 178.7961 6.576273 193.2691 10.34053 -14.47299      12.25455 
1 1 1 19  1  15 o 14.67100 7.056959 -75.90139      51.92402 -126.9285      73.96331 -26.31556      72.91128 16.68625 8.120135 21.62731 9.662521 -4.941063      12.62145 
1 1 1 19  1  16 o 64.43740 10.18136 378.2314       108.3112 261.6219       292.3171 396.7884       116.6114 55.03848 21.49522 65.80728 10.74793 -10.76880      24.03253 
1 1 1 19  1  17 o 65.28963 6.003892 373.7602       66.18896 382.3508       95.99645 365.9752       91.38442 65.07066 8.870202 63.73607 8.617174 1.334587       12.36674 
1 1 1 19  1  18 o 24.69943 9.371318 41.43290       54.44312 40.54788       78.78549 42.24176       75.31977 27.51730 11.02724 27.27747 10.83105 0.2398300      15.45677 
1 1 1 19  1  19 o 26.28629 9.857481 50.18789       59.83897 108.0908       78.37905 -30.72033      92.65012 34.49749 11.42312 24.00073 10.79467 10.49676       15.71663 
1 1 1 19  2  0  o 209.8992 4.935858 3771.165       176.9193 3890.145       244.8327 3641.145       255.9402 212.9567 6.732496 205.9484 7.277431 7.008270       9.914005 
1 1 1 19  2  1  o 82.38001 4.854801 582.9212       67.99409 502.2899       91.23183 683.6697       101.9797 76.16901 7.095656 89.01138 6.759624 -12.84236      9.800044 
1 1 1 19  2  2  o 55.02262 6.696191 263.6086       61.62012 284.5114       82.37417 237.0501       92.85162 56.82843 8.770650 51.39249 10.91700 5.435940       14.00376 
1 1 1 19  2  3  o 123.6857 4.257389 1309.076       89.92173 1296.392       139.1982 1318.160       117.8005 122.7112 6.667777 124.0179 5.562380 -1.306732      8.683278 
1 1 1 19  2  4  o 198.9976 4.340961 3389.363       147.5148 3421.758       239.6725 3369.606       187.1662 199.5550 7.033211 198.2679 5.528063 1.287094       8.945700 
1 1 1 19  2  5  o 24.68385 9.089676 41.67969       50.43672 118.5532       77.39175 -15.07517      66.49788 36.87314 11.25835 21.58208 9.452702 15.29106       14.70048 
1 1 1 19  2  6  o 219.0760 12.92524 4207.423       481.4013 4026.738       677.3179 4391.876       684.3452 211.1685 18.98579 221.0162 18.29668 -9.847717      26.36719 
1 1 1 19  2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2  8  o 180.4983 4.636240 2790.401       142.9029 2589.415       232.6503 2912.174       181.0914 173.3739 7.858105 184.2402 5.755876 -10.86632      9.740632 
1 1 1 19  2  9  o 155.2363 4.443576 2063.851       117.7953 2006.111       190.1702 2099.797       150.0463 152.6573 7.294962 156.4405 5.616606 -3.783264      9.206668 
1 1 1 19  2  10 o 160.7057 4.461824 2212.720       122.4463 1947.778       195.1381 2384.786       157.2589 150.0933 7.638637 166.6848 5.524811 -16.59148      9.427211 
1 1 1 19  2  11 o 30.72714 9.649044 81.45252       56.39560 118.1905       73.25792 28.00794       88.35862 36.51366 10.91026 28.27753 11.55139 8.236135       15.88926 
1 1 1 19  2  12 o 159.6334 5.801975 2194.377       158.1618 2187.336       203.4809 2205.123       251.3880 158.9271 7.497626 158.7125 9.316216 0.2145996      11.95852 
1 1 1 19  2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2  14 o 54.92184 7.351589 266.6146       67.21928 279.4028       100.4338 256.2380       90.46986 55.19561 11.04111 52.99582 10.36812 2.199799       15.14609 
1 1 1 19  2  15 f 100.7828 4.833618 875.0951       83.18803 857.6833       120.3822 891.0089       115.0876 99.00163 7.169164 101.0672 6.706410 -2.065529      9.816967 
1 1 1 19  2  16 o 121.6795 4.498561 1275.668       93.47448 1279.316       139.3642 1272.684       126.0256 120.9880 6.772592 120.9268 6.122828 0.6114960E-01  9.130007 
1 1 1 19  2  17 o 87.49253 5.191962 665.2698       77.22479 604.4954       111.5876 721.1315       106.9826 82.37813 8.034636 90.47977 6.977927 -8.101646      10.64175 
1 1 1 19  2  18 o 144.6988 5.625673 1821.348       139.0085 1971.852       353.1789 1793.758       151.2136 142.6024 14.71474 143.3263 6.178217 -0.7238617     15.95914 
1 1 1 19  2  19 o 65.82537 6.897337 385.5010       76.37966 397.1380       124.2889 378.4395       96.81906 64.54066 11.70827 64.29905 9.069574 0.2416153      14.81016 
1 1 1 19  3  0  o 92.84716 5.962201 741.8618       94.03184 623.0619       127.0998 885.5126       139.7626 84.60532 8.932242 101.1571 8.160254 -16.55181      12.09854 
1 1 1 19  3  1  o 252.2569 4.893164 5447.849       210.7826 5423.248       335.1317 5463.951       271.1232 251.1648 7.813665 252.4085 6.290147 -1.243637      10.03092 
1 1 1 19  3  2  f 333.9398 5.634148 9557.815       321.2908 9470.713       535.5304 9606.798       401.5942 331.2711 9.466700 334.4408 7.031796 -3.169678      11.79256 
1 1 1 19  3  3  o 179.7172 4.225339 2763.911       129.6740 2859.606       209.0606 2704.071       165.3187 182.4916 6.708529 177.6292 5.450116 4.862427       8.643387 
1 1 1 19  3  4  o 144.7142 4.165795 1792.191       102.9463 1684.826       161.0358 1866.392       133.8743 140.0556 6.733176 147.5744 5.312323 -7.518738      8.576505 
1 1 1 19  3  5  o 28.95498 9.174225 71.26616       50.88019 118.0552       70.12359 19.24728       73.93881 36.52891 10.61159 25.64872 10.53241 10.88019       14.95117 
1 1 1 19  3  6  o 164.4145 11.85312 2365.875       330.5615 2286.359       476.8328 2439.447       458.6654 159.1958 17.84736 165.1244 16.48647 -5.928574      24.29675 
1 1 1 19  3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3  8  f 90.41854 5.053800 702.8746       77.72052 722.0501       116.7383 687.6085       104.1607 91.26655 7.558332 89.16296 6.894549 2.103592       10.23050 
1 1 1 19  3  9  o 206.5521 4.837546 3656.192       170.6305 3911.388       278.2205 3502.337       216.0274 213.0535 7.647130 201.9085 6.265450 11.14500       9.886074 
1 1 1 19  3  10 o 76.12128 5.312746 499.6918       68.62701 423.8483       100.3549 566.3152       94.05739 69.46888 8.646653 80.80550 6.881884 -11.33662      11.05101 
1 1 1 19  3  11 o 48.92572 10.57210 217.0855       85.75008 183.1534       99.16080 317.7010       170.7525 44.86586 12.48528 58.39366 16.43127 -13.52780      20.63659 
1 1 1 19  3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3  13 o 93.21978 5.444742 751.1073       86.29679 814.6028       142.2439 714.1251       108.5570 96.19781 8.754782 90.50595 7.080327 5.691856       11.25954 
1 1 1 19  3  14 o 115.0391 4.692085 1138.718       92.17506 1187.026       158.0713 1113.828       113.4625 116.3464 8.004767 113.3801 5.880404 2.966278       9.932546 
1 1 1 19  3  15 o 43.17415 8.829088 169.6422       62.89843 101.7637       106.1632 206.3562       78.07715 36.08512 13.20266 47.41355 9.959907 -11.32842      16.53814 
1 1 1 19  3  16 o 91.59715 5.197081 727.7191       80.95633 664.3184       134.9046 763.4008       101.2050 86.01794 9.333856 93.45951 6.379387 -7.441566      11.30564 
1 1 1 19  3  17 o 51.39464 7.226863 236.1538       61.67404 187.1562       90.71326 278.2696       84.10200 44.34203 11.78004 55.14740 9.258701 -10.80538      14.98309 
1 1 1 19  3  18 o 78.37370 5.748500 537.6378       76.39884 585.2958       114.6752 499.6032       102.4449 80.68682 8.447952 74.60839 8.174653 6.078430       11.75554 
1 1 1 19  3  19 o 52.90464 10.34253 263.9119       90.08900 84.07690       344.2309 277.1349       93.34232 46.79340 20.94416 54.18863 10.46606 -7.395226      23.41359 
1 1 1 19  4  0  o 298.5814 5.325680 7636.416       271.5437 7465.307       448.8935 7735.163       341.0119 294.3651 8.930075 300.2368 6.651256 -5.871765      11.13487 
1 1 1 19  4  1  o 59.54980 6.285309 307.5618       62.95024 311.0796       83.40879 302.9063       95.95375 59.52939 8.441459 58.42386 9.975804 1.105530       13.06809 
1 1 1 19  4  2  o 107.4462 4.424001 988.1375       81.17239 1093.215       120.5098 900.8696       109.8232 112.7016 6.286717 102.2697 6.319440 10.43195       8.913929 
1 1 1 19  4  3  f 179.1301 4.160758 2745.974       127.2749 2493.899       197.6466 2924.557       166.3581 170.3883 6.792779 184.7360 5.273399 -14.34764      8.599452 
1 1 1 19  4  4  o 136.6719 4.208344 1598.767       98.21828 1477.925       147.1118 1695.952       131.9285 131.0110 6.596777 140.6445 5.493054 -9.633560      8.584353 
1 1 1 19  4  5  o 80.95451 14.04540 590.4050       187.1274 633.4922       267.1617 548.9083       262.1847 82.43300 19.31638 76.63495 19.86890 5.798050       27.71093 
1 1 1 19  4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4  8  o 108.6680 4.677365 1011.695       86.79707 984.3693       132.1852 1032.407       115.0833 106.6883 7.299299 109.4651 6.181793 -2.776810      9.565267 
1 1 1 19  4  9  o 70.66199 7.142390 434.2425       85.00169 493.2150       98.42577 261.1987       168.6017 75.23414 7.773171 53.92763 16.64292 21.30651       18.36870 
1 1 1 19  4  10 o 100.3154 5.056138 865.7351       86.33559 938.2289       135.4389 816.1150       112.0526 103.9453 7.684694 97.09096 6.801307 6.854294       10.26218 
1 1 1 19  4  11 o 58.50564 7.040008 299.8568       68.92333 296.2547       103.9364 302.6841       92.08143 57.16757 11.04650 58.17756 9.603743 -1.009983      14.63752 
1 1 1 19  4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4  13 o 236.0475 4.857812 4793.376       195.8132 4441.796       333.6224 4978.140       241.8531 225.3868 8.668118 240.1270 5.898052 -14.74020      10.48443 
1 1 1 19  4  14 o 30.31067 9.893749 79.01788       58.87449 191.0894       86.71109 -16.83720      80.19265 45.39503 11.24415 23.45355 10.32371 21.94148       15.26466 
1 1 1 19  4  15 o 133.8913 4.715780 1544.974       107.8221 1397.343       176.5400 1632.806       136.1696 125.8876 8.257943 137.3163 5.807057 -11.42869      10.09532 
1 1 1 19  4  16 o 93.29105 5.125515 755.0474       81.34131 620.0428       124.0873 856.7692       107.7110 83.18009 8.872807 98.96635 6.407791 -15.78625      10.94470 
1 1 1 19  4  17 o 30.85283 10.25454 83.42410       63.14151 141.2696       96.33949 39.86502       83.60052 39.03220 12.65136 28.02485 11.31375 11.00735       16.97227 
1 1 1 19  4  18 o 71.01481 6.419858 445.0883       77.01138 557.7244       124.1866 374.7081       98.16595 78.15160 9.500834 63.98983 9.252174 14.16177       13.26154 
1 1 1 19  4  19 o 92.35382 5.394231 745.8922       84.70199 765.8377       140.4881 734.5013       106.1684 91.64264 9.097408 90.97388 6.885020 0.6687546      11.40905 
1 1 1 19  5  0  o 73.86859 5.747712 470.5944       71.93230 440.8716       95.68430 509.2240       109.0827 71.13566 8.016594 76.42746 8.502146 -5.291801      11.68556 
1 1 1 19  5  1  o 52.25070 7.319381 239.1760       63.51611 333.6590       83.53965 109.7271       97.78338 61.73570 8.121268 37.07930 12.75906 24.65641       15.12444 
1 1 1 19  5  2  o 170.0016 4.448843 2474.140       129.1523 2588.675       207.9156 2402.179       164.8043 173.5523 7.015436 167.3612 5.766495 6.191147       9.081233 
1 1 1 19  5  3  o 39.67476 8.783938 141.0813       57.94071 95.70377       76.74844 201.2179       88.35252 34.02903 11.30538 47.21524 11.13834 -13.18621      15.87054 
1 1 1 19  5  4  o 176.3652 4.284193 2662.819       129.0280 2599.810       205.7180 2703.682       165.6644 173.8972 6.927519 177.5671 5.463421 -3.669876      8.822669 
1 1 1 19  5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  5  7  o 78.33013 5.202849 528.3479       69.19816 536.4553       103.2297 521.7321       93.25125 78.52176 7.801916 77.54846 7.121294 0.9732971      10.56327 
1 1 1 19  5  8  o 198.0099 5.683477 3365.163       192.1776 3178.288       252.1387 3624.221       296.8667 192.0199 7.689380 204.8373 8.486930 -12.81740      11.45227 
1 1 1 19  5  9  o 21.84089 9.404307 -4.631216      63.52361 -33.91200      89.83153 24.65533       89.84036 24.08928 10.74655 28.23495 11.60395 -4.145668      15.81581 
1 1 1 19  5  10 o 183.4801 4.665629 2888.341       146.1845 3119.768       248.6550 2766.105       180.7127 189.9124 7.667288 179.2965 5.902215 10.61591       9.675920 
1 1 1 19  5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  5  12 o 84.23774 9.624677 630.0991       135.9652 0.000000       0.000000 630.0991       135.9652 ?        ?        84.23774 9.624677 0.000000       9.624677 
1 1 1 19  5  13 o 122.8200 4.453057 1296.875       93.39625 1203.580       154.4029 1350.708       117.2861 117.2660 7.754246 125.1205 5.489286 -7.854507      9.500558 
1 1 1 19  5  14 o 67.93293 5.903506 402.3528       67.80357 293.6664       103.6616 483.6204       89.63741 56.40026 11.15819 74.18578 7.164818 -17.78553      13.26046 
1 1 1 19  5  15 o 45.87677 7.908470 189.6165       59.71930 119.6720       92.86228 238.9440       77.98431 36.91688 12.43767 51.20471 9.259402 -14.28783      15.50587 
1 1 1 19  5  16 o 55.69421 6.541152 274.4006       61.02639 283.4501       97.70049 268.6110       78.14647 55.10811 10.76806 54.38908 8.707629 0.7190285      13.84825 
1 1 1 19  5  17 o 71.89438 6.154962 454.4567       74.83678 348.3942       124.6850 514.1811       93.56412 60.19110 12.53763 76.07771 7.291258 -15.88660      14.50361 
1 1 1 19  5  18 o 40.22047 9.354981 151.5532       63.04019 40.32180       111.8632 203.3186       76.31208 30.82447 12.83351 46.51364 9.910767 -15.68917      16.21488 
1 1 1 19  6  0  o 105.7663 5.145150 958.4933       92.92810 906.1896       121.7072 1031.615       143.9044 102.4539 6.998285 109.2136 7.766679 -6.759674      10.45454 
1 1 1 19  6  1  o 159.5552 5.015086 2181.169       136.6442 2151.276       187.0795 2215.355       200.0613 158.2119 6.924451 160.4925 7.299723 -2.280655      10.06151 
1 1 1 19  6  2  o 68.59179 5.560380 406.0941       64.56911 393.1010       89.73067 420.0468       92.98529 67.08802 7.989517 69.37894 7.994727 -2.290916      11.30257 
1 1 1 19  6  3  o 114.5768 4.678596 1124.493       91.54071 994.0797       134.7610 1236.225       124.7356 107.2212 7.405454 119.8451 6.115274 -12.62387      9.604026 
1 1 1 19  6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  6  6  o 136.9717 5.184507 1608.536       121.2664 1518.136       162.8545 1721.043       181.6786 132.6188 7.218238 141.1555 7.564619 -8.536758      10.45593 
1 1 1 19  6  7  o 183.2997 4.498219 2878.160       140.8005 2701.162       229.0630 2985.647       178.5049 177.0442 7.576549 186.5230 5.604228 -9.478882      9.423984 
1 1 1 19  6  8  o 71.25553 6.111133 439.5910       73.64095 471.1844       113.2507 416.4467       96.93133 73.16433 9.272491 68.90713 8.412198 4.257202       12.51975 
1 1 1 19  6  9  f 54.75689 7.306736 263.3217       66.61781 242.0157       102.5126 278.8967       87.64777 51.48635 11.89834 55.87968 9.526798 -4.393330      15.24239 
1 1 1 19  6  10 o 63.58028 6.309267 351.9903       67.59743 325.3950       106.0042 370.2167       87.75511 60.02206 10.73627 64.82719 8.104142 -4.805138      13.45157 
1 1 1 19  6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  6  12 o 58.61383 7.193706 302.5768       70.49226 317.8633       117.0226 293.8707       88.31313 58.65041 12.08614 57.16135 9.372253 1.489059       15.29424 
1 1 1 19  6  13 o 150.3220 4.406980 1943.568       113.1268 1916.083       189.9354 1958.679       140.8318 148.0389 7.538196 150.6064 5.475895 -2.567551      9.317180 
1 1 1 19  6  14 o 40.18769 8.947218 147.8527       59.82389 53.09042       90.22218 222.2079       79.91919 30.20625 11.89835 49.21339 9.853377 -19.00714      15.44862 
1 1 1 19  6  15 o 32.79682 9.340542 98.47803       54.83511 162.1695       87.50532 57.29497       70.36441 41.52595 11.78996 28.40573 10.68207 13.12022       15.90942 
1 1 1 19  6  16 o 71.80543 5.766298 451.4650       70.10966 322.2887       108.5500 543.9189       91.83344 58.50275 11.27438 78.44614 6.926456 -19.94339      13.23206 
1 1 1 19  6  17 o 59.92155 6.274234 317.3266       63.24968 454.5323       102.8058 233.7621       80.23106 70.84751 8.678990 50.12011 9.724892 20.72740       13.03451 
1 1 1 19  6  18 o 63.64845 6.053401 357.9990       65.00212 446.4645       106.0377 304.7426       82.27330 69.75983 9.119585 57.68264 8.616551 12.07720       12.54639 
1 1 1 19  7  0  o 96.26587 5.422185 797.0930       88.77210 740.2022       115.6327 878.7493       138.5332 92.45815 7.385382 100.6526 8.129223 -8.194466      10.98308 
1 1 1 19  7  1  o 200.7168 5.305686 3454.141       181.8558 3411.080       250.1026 3502.448       264.9007 199.0820 7.356719 201.6561 7.692541 -2.574051      10.64408 
1 1 1 19  7  2  o 122.1562 14.47437 1330.852       296.0648 1234.369       638.2377 1357.307       334.1970 110.0925 32.02326 122.6777 16.36052 -12.58524      35.96048 
1 1 1 19  7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  7  5  o 89.12710 5.923155 684.9584       89.63660 572.3911       110.2426 904.5530       153.9764 81.07288 8.070162 101.9115 8.937950 -20.83862      12.04220 
1 1 1 19  7  6  f 314.8835 5.704385 8511.217       306.7331 8385.470       520.2067 8578.236       379.7761 310.9380 9.797159 315.6794 7.044974 -4.741425      12.06715 
1 1 1 19  7  7  o 96.54910 5.394450 802.5892       88.58434 896.7838       132.9140 727.3101       118.8216 101.6523 7.714408 91.49310 7.676042 10.15919       10.88273 
1 1 1 19  7  8  o 105.3310 4.898901 952.0829       88.11643 1056.616       139.9287 883.3895       113.4324 110.3523 7.469452 101.0419 6.610495 9.310326       9.974535 
1 1 1 19  7  9  o 119.6347 4.735568 1228.939       96.74561 1094.295       151.5086 1321.636       125.7120 112.0476 7.970293 123.8649 5.943282 -11.81730      9.942241 
1 1 1 19  7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  7  11 o 151.9869 4.522271 1985.377       117.3720 2015.937       192.4466 1967.277       148.1066 152.3165 7.398802 150.9889 5.744172 1.327606       9.366844 
1 1 1 19  7  12 o 61.55163 6.438501 331.8512       66.67315 352.3877       102.1662 316.6173       87.99333 62.43140 9.914433 59.41790 8.949905 3.013500       13.35653 
1 1 1 19  7  13 o 30.65250 9.441938 83.54161       54.29490 207.2568       87.30678 5.522265       69.33263 47.20702 11.02917 23.40161 9.943846 23.80540       14.85001 
1 1 1 19  7  14 o 50.99657 6.997410 231.1842       59.33039 261.7080       96.37675 212.5574       75.28742 52.97678 11.01260 48.10683 9.501689 4.869946       14.54509 
1 1 1 19  7  15 o 44.36651 8.362384 179.7730       61.03214 -15.58918      93.03210 327.3798       80.86595 25.11940 11.08521 60.35832 8.046005 -35.23891      13.69745 
1 1 1 19  7  16 o 28.84148 9.531105 72.77001       54.57544 -30.83775      88.47356 136.4094       69.33946 23.46393 10.55134 38.07010 10.38016 -14.60617      14.80130 
1 1 1 19  7  17 o 62.44009 6.157197 344.6324       64.79742 226.3640       104.3732 418.8027       82.65508 48.04410 12.57514 68.49445 7.173021 -20.45036      14.47710 
1 1 1 19  8  0  o 167.7198 5.251204 2412.129       150.3991 2337.832       202.1136 2504.319       225.1373 164.8105 7.181395 170.4696 7.733901 -5.659103      10.55394 
1 1 1 19  8  1  o 41.63602 16.80577 77.72865       184.4303 -181.2312      556.6011 109.6674       195.4730 57.89471 26.20905 44.40707 17.50671 13.48764       31.51823 
1 1 1 19  8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  8  4  o 226.7328 4.981268 4407.266       192.8663 4445.486       314.9257 4384.329       243.9697 226.9490 8.126020 225.8611 6.325466 1.087921       10.29775 
1 1 1 19  8  5  o 133.8028 4.775560 1534.547       109.1168 1530.209       160.2681 1538.295       148.9785 133.1241 7.075393 133.7431 6.523044 -0.6190491     9.623476 
1 1 1 19  8  6  o 24.82057 10.10424 21.70480       67.31281 -1.038821      90.50452 49.86057       100.6988 26.36828 11.28638 31.61078 12.53244 -5.242506      16.86548 
1 1 1 19  8  7  o 138.4957 4.610129 1645.282       109.0313 1726.724       175.8284 1594.400       138.9781 141.2088 7.316736 136.1248 5.978705 5.084015       9.448785 
1 1 1 19  8  8  o 165.8000 4.792609 2360.944       135.6933 2547.782       221.3199 2248.409       171.7640 171.4923 7.557426 161.4754 6.229079 10.01692       9.793677 
1 1 1 19  8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  8  10 o 38.21445 9.446443 133.2243       61.29406 68.52715       93.12185 182.6808       81.41806 32.13103 12.24056 44.56236 10.80982 -12.43133      16.33045 
1 1 1 19  8  11 o 98.94862 4.888297 843.3588       82.59794 754.7397       129.6427 903.9103       107.1636 92.50612 8.294959 101.9932 6.182008 -9.487053      10.34522 
1 1 1 19  8  12 o 103.1783 4.663837 917.1624       82.17384 751.9894       134.3373 1015.917       103.8740 92.06418 8.646132 108.2270 5.639946 -16.16286      10.32301 
1 1 1 19  8  13 o 50.29442 7.492393 226.0947       62.38478 197.9978       111.6130 238.8608       75.23407 45.67298 13.42216 51.28130 8.914808 -5.608322      16.11298 
1 1 1 19  8  14 o 135.6172 4.498742 1587.847       104.1856 1283.333       170.4268 1769.555       131.6501 120.0516 8.365480 142.8216 5.397909 -22.77001      9.955836 
1 1 1 19  8  15 o 50.09409 7.126617 224.9137       59.24490 249.2009       97.44320 210.6707       74.62125 51.12436 11.44648 47.62982 9.507515 3.494537       14.88001 
1 1 1 19  8  16 o 93.12944 5.034732 755.2023       79.77171 808.7278       128.0650 721.2671       101.9706 95.03069 7.965054 90.35380 6.655721 4.676895       10.37982 
1 1 1 19  8  17 o 45.30259 8.033680 188.4114       59.87410 202.1984       97.57773 180.0858       75.82708 45.32890 12.29476 43.40818 10.37127 1.920715       16.08491 
1 1 1 19  9  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  9  2  o 83.21210 5.866925 597.5001       82.83397 633.2537       106.5420 542.8591       131.7102 85.42482 7.375897 78.47079 10.06069 6.954033       12.47483 
1 1 1 19  9  3  o 187.3098 5.407781 3010.741       172.9742 2983.220       238.4370 3041.315       251.3159 186.0206 7.506038 187.7414 7.838952 -1.720840      10.85310 
1 1 1 19  9  4  o 63.34972 6.866258 349.5128       73.09016 340.7711       90.84476 365.5576       123.0744 62.15259 8.805631 63.70384 11.74635 -1.551254      14.68046 
1 1 1 19  9  5  o 55.43931 8.344300 271.7870       76.54844 298.6864       103.0605 238.6859       114.3254 57.57027 10.88188 51.03815 13.06262 6.532120       17.00139 
1 1 1 19  9  6  o 140.0129 4.988696 1683.447       119.2771 1863.262       179.9582 1542.559       159.2926 146.8525 7.176098 133.4762 7.013173 13.37630       10.03399 
1 1 1 19  9  7  o 157.9337 4.629599 2142.019       124.8591 2050.751       199.4212 2200.865       160.1298 153.7877 7.593602 159.8104 5.867663 -6.022690      9.596472 
1 1 1 19  9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  9  9  o 81.84055 5.413718 579.9155       75.23258 475.5644       116.3400 654.9145       98.62981 72.96293 9.568005 86.68304 6.715444 -13.72011      11.68948 
1 1 1 19  9  10 o 34.57386 10.01645 108.3762       62.55440 174.8812       89.64154 45.25093       87.33414 43.39483 11.79003 29.29896 11.65371 14.09587       16.57751 
1 1 1 19  9  11 o 181.5890 4.538421 2839.839       140.7331 2753.824       234.5563 2888.222       175.9158 177.3689 7.744042 182.7038 5.638395 -5.334839      9.579232 
1 1 1 19  9  12 o 24.27736 9.675386 29.80724       60.30849 70.49005       103.2029 8.710312       74.31834 32.86954 12.79011 24.34561 10.31764 8.523935       16.43291 
1 1 1 19  9  13 o 110.4441 4.682637 1054.008       88.31513 992.5944       142.5548 1092.259       112.5058 105.7353 7.953398 111.8911 5.909081 -6.155807      9.908268 
1 1 1 19  9  14 o 61.94501 6.504388 339.5527       67.77696 463.9217       104.9020 250.4339       88.79992 71.57829 8.765409 51.66593 10.42434 19.91235       13.61981 
1 1 1 19  9  15 o 74.31707 5.743444 484.5591       72.32344 465.4904       113.4529 497.6129       93.86918 71.18542 9.575941 74.64408 7.464270 -3.458664      12.14142 
1 1 1 19  9  16 o 73.03831 5.710183 469.2927       70.65350 353.0455       113.4688 542.9038       90.29369 60.67352 11.36931 78.10769 6.838471 -17.43417      13.26747 
1 1 1 19  10 0  f 62.47842 7.104278 340.4527       74.44922 307.2903       88.19537 422.6664       138.8659 58.91743 9.055846 68.48557 12.32725 -9.568146      15.29606 
1 1 1 19  10 1  o 218.5431 5.757656 4102.142       214.8744 4062.137       294.5756 4147.632       314.1219 216.8957 7.953235 219.0255 8.398499 -2.129776      11.56671 
1 1 1 19  10 2  o 126.3111 5.563643 1370.015       120.0059 1414.773       158.1185 1309.205       184.3025 127.9012 7.269476 122.6382 8.860045 5.262932       11.46061 
1 1 1 19  10 3  o 107.8442 5.944651 1003.094       109.0547 1077.025       141.6410 895.4647       170.9003 111.4404 7.486394 100.9165 10.05068 10.52393       12.53245 
1 1 1 19  10 4  o 159.1955 5.527635 2178.719       150.2699 2204.555       202.4013 2146.986       224.3111 159.7008 7.421716 157.1230 8.390405 2.577744       11.20182 
1 1 1 19  10 5  o 92.96623 5.972800 747.6691       94.31927 776.8199       140.3935 723.6887       127.3356 94.05555 8.844886 90.90899 8.293706 3.146561       12.12508 
1 1 1 19  10 6  o 34.69340 10.66111 106.6382       69.26874 78.35854       91.48603 144.6302       106.0387 32.99382 12.22466 40.62507 13.27875 -7.631248      18.04903 
1 1 1 19  10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  10 8  o 18.87840 8.591261 -35.32629      60.78652 -62.71626      82.06668 -2.034178      90.47775 20.99692 9.711263 26.01796 11.21315 -5.021044      14.83385 
1 1 1 19  10 9  o 52.27745 7.798418 243.7484       67.48856 274.8326       97.62524 215.2958       93.40130 54.62892 10.84753 48.06684 11.52766 6.562080       15.82895 
1 1 1 19  10 10 o 152.3999 4.586344 2001.194       119.3585 1855.429       199.9650 2081.872       148.7671 145.1537 8.099510 155.0911 5.617176 -9.937393      9.856709 
1 1 1 19  10 11 o 76.29000 5.654866 507.2985       73.14571 412.3293       111.2602 579.5912       97.07247 67.25810 9.990663 81.12199 7.078286 -13.86388      12.24400 
1 1 1 19  10 12 o 67.62045 6.347238 402.4719       72.43565 303.8782       106.5927 487.0683       98.73672 56.78726 11.38827 73.84977 7.954916 -17.06251      13.89148 
1 1 1 19  10 13 o 21.20561 9.127206 0.3325109      59.78800 -24.13190      85.18435 24.08484       83.93548 23.38741 10.44686 26.65343 11.10846 -3.266020      15.24909 
1 1 1 19  10 14 o 52.41243 7.786229 248.6486       67.57101 157.3300       99.35929 327.2224       92.16536 40.55286 12.81728 59.58876 9.366373 -19.03590      15.87488 
1 1 1 19  10 15 o 38.70152 8.958011 140.5453       58.03203 44.32194       94.34689 199.1061       73.60220 29.19362 11.93225 45.93933 9.687216 -16.74571      15.36947 
1 1 1 19  11 0  o 61.23612 6.824500 327.0211       70.15028 291.7622       87.68468 389.7162       116.9246 57.27392 9.283047 66.01671 10.74099 -8.742790      14.19662 
1 1 1 19  11 1  o 55.46282 7.837953 271.1453       72.16647 285.7312       84.04874 230.2210       140.7847 56.70177 8.979402 50.32825 15.14430 6.373520       17.60623 
1 1 1 19  11 2  o 84.83671 6.525340 624.1932       93.80914 602.9200       118.5647 659.8014       153.3960 82.92414 8.492642 86.17098 10.65116 -3.246841      13.62248 
1 1 1 19  11 3  o 61.53439 8.499673 335.2200       86.93005 269.4161       102.1264 508.3052       165.6313 54.31971 11.37442 74.39389 13.53645 -20.07418      17.68086 
1 1 1 19  11 4  o 65.34505 7.734197 375.8346       84.62942 494.2993       105.9979 167.5425       140.5527 74.86744 8.438064 44.28715 15.29368 30.58029       17.46704 
1 1 1 19  11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  11 6  o 15.15500 7.403169 -116.2070      63.16791 25.50119       78.86639 -369.7998      105.5026 26.58026 10.89200 15.52568 7.867862 11.05457       13.43647 
1 1 1 19  11 7  f 96.79333 5.269320 810.7193       86.76870 639.4177       126.4201 963.2877       119.3075 84.86263 8.854017 105.1256 6.680632 -20.26301      11.09164 
1 1 1 19  11 8  o 66.84840 6.500913 391.7458       73.27206 389.6263       105.1921 393.7434       102.1209 65.66315 9.670825 66.14914 9.297050 -0.4859924     13.41492 
1 1 1 19  11 9  o 121.5230 4.657896 1273.440       96.66075 1090.480       151.1226 1400.115       125.7469 111.1261 8.017476 127.0825 5.794418 -15.95640      9.892179 
1 1 1 19  11 10 o 50.78654 7.885348 232.0684       66.16882 251.4163       95.98003 214.5438       91.34557 51.74471 11.18793 47.67870 11.37760 4.066013       15.95680 
1 1 1 19  11 11 o 88.24448 5.620724 679.8118       84.25873 635.4923       121.8069 720.4777       116.6782 84.08030 8.604743 90.02645 7.662465 -5.946152      11.52193 
1 1 1 19  11 12 o 70.01818 6.273640 432.4260       74.21685 576.9962       110.8820 315.0913       99.89296 80.10272 8.222737 58.00175 10.47066 22.10097       13.31346 
1 1 1 19  11 13 o 68.60883 6.284043 416.0027       72.80633 343.0750       108.8427 475.0576       97.94476 60.19595 10.99350 72.60922 8.033901 -12.41327      13.61619 
1 1 1 19  11 14 o 55.04593 7.331160 273.5904       67.19927 188.5794       101.6658 339.5482       89.55107 43.62354 12.80732 60.69609 8.904668 -17.07256      15.59873 
1 1 1 19  12 0  o 37.19580 10.15935 125.2468       66.35342 165.3022       76.72265 6.376201       132.1692 42.56190 10.59694 31.93146 13.65257 10.63044       17.28258 
1 1 1 19  12 1  o 70.39645 7.220933 433.7045       85.57639 380.7239       106.4646 530.4272       143.8504 65.20503 9.870127 76.69705 11.32383 -11.49202      15.02160 
1 1 1 19  12 2  o 117.9753 5.701183 1200.396       114.8571 1280.901       150.3557 1087.589       177.9814 121.2736 7.294181 110.9481 9.485220 10.32546       11.96555 
1 1 1 19  12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  12 4  o 24.16818 10.21804 7.763694       72.61268 159.8335       86.35832 -359.1677      134.1452 41.64226 11.67393 19.30402 9.661231 22.33825       15.15322 
1 1 1 19  12 5  o 35.23178 10.89339 111.2944       72.19366 101.4986       88.98031 130.1647       123.4990 34.94076 12.16273 39.78027 14.28478 -4.839516      18.76132 
1 1 1 19  12 6  o 106.2765 5.414932 978.6844       97.94685 1011.175       137.3924 945.1070       139.6712 107.3030 7.546079 103.5598 7.958845 3.743256       10.96752 
1 1 1 19  12 7  o 20.11816 8.953863 -19.79914      61.96677 -115.9721      81.08111 115.2618       96.08556 18.27164 8.796347 36.61505 12.64503 -18.34342      15.40366 
1 1 1 19  12 8  o 132.8978 4.698565 1524.541       106.6314 1532.156       166.2769 1519.221       138.9696 131.9812 7.407594 132.1529 6.158020 -0.1717377     9.632947 
1 1 1 19  12 9  o 36.34227 10.31375 122.9159       66.97923 -3.185249      89.39068 284.3430       101.1395 25.44601 11.05561 54.98483 11.15293 -29.53882      15.70396 
1 1 1 19  12 10 o 83.79230 5.927024 615.5670       84.26197 473.5293       132.4831 712.0564       109.1940 71.00564 11.30517 89.61317 7.196201 -18.60754      13.40120 
1 1 1 19  12 11 o 75.82983 6.015119 505.8823       77.25150 523.5118       113.7664 490.7986       105.2322 75.83305 8.958256 73.60928 8.529787 2.223778       12.36963 
1 1 1 19  12 12 o 68.94656 6.403204 421.1921       74.52873 530.2614       110.1117 328.9815       101.2448 76.38413 8.590730 59.10934 10.41060 17.27480       13.49746 
1 1 1 19  12 13 o 36.90814 10.07551 130.0683       65.28274 104.5193       93.29299 154.5825       91.38406 34.43450 12.41023 39.80093 12.24772 -5.366425      17.43619 
1 1 1 19  13 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  13 2  o 16.03670 7.827713 -126.6500      70.22591 -119.7709      93.39768 -135.5979      106.5200 20.15553 9.633663 21.50386 10.28092 -1.348328      14.08917 
1 1 1 19  13 3  o 45.98427 9.769811 194.0813       74.35127 100.0826       91.35807 378.4676       127.9530 34.88388 12.31154 63.76490 12.19520 -28.88102      17.32908 
1 1 1 19  13 4  o 66.75636 7.266809 393.5458       81.50152 328.6310       102.6335 504.3612       134.0963 59.88502 10.41431 74.28928 10.89400 -14.40426      15.07107 
1 1 1 19  13 5  o 55.18256 8.395541 274.0359       76.61916 172.9954       95.57172 455.7935       128.1822 42.90060 12.36697 70.38170 11.02732 -27.48109      16.56937 
1 1 1 19  13 6  o 52.26347 8.782521 248.0423       75.60246 203.2407       94.31157 328.5956       126.4619 46.31353 11.87015 58.62194 12.97574 -12.30841      17.58608 
1 1 1 19  13 7  o 59.86925 7.929570 321.6478       79.07424 362.9866       116.0792 285.8553       108.0118 62.21934 11.34308 54.83621 11.87815 7.383125       16.42425 
1 1 1 19  13 8  o 41.86771 9.987876 164.7507       70.41063 191.9839       93.25758 128.6445       107.3807 44.66414 11.97985 37.98639 13.35344 6.677746       17.93965 
1 1 1 19  13 9  o 25.10275 9.889505 37.29335       62.33725 -73.81406      85.58847 162.8237       90.97418 20.65309 9.673749 41.11894 12.12747 -20.46585      15.51313 
1 1 1 19  13 10 o 33.18176 10.24840 102.0665       63.91740 97.56506       90.34905 106.5766       90.43674 33.81201 12.20871 34.74619 12.25077 -0.9341736     17.29549 
1 1 1 19  13 11 o 36.94562 10.25735 130.1797       67.01060 114.0456       93.73015 147.0483       95.83966 35.49434 12.47592 39.06108 12.61410 -3.566742      17.74160 
1 1 1 19  13 12 o 60.61252 7.144565 331.0128       72.52959 310.5238       105.2478 349.5431       100.0910 56.59389 11.28619 60.88858 9.971520 -4.294697      15.06019 
1 1 1 19  14 0  o 78.25264 7.437123 539.7666       98.18681 650.7275       141.8408 437.6746       136.0542 84.99430 9.961508 68.64868 12.04518 16.34562       15.63067 
1 1 1 19  14 1  o 85.18891 6.025733 632.8578       87.09311 565.4561       125.6515 695.1827       120.8267 79.28595 9.467714 88.59290 8.075307 -9.306946      12.44380 
1 1 1 19  14 2  o 27.48528 10.25386 54.06469       64.58416 69.99167       80.86453 26.00964       107.3240 30.80194 11.47714 29.82954 12.50668 0.9724026      16.97474 
1 1 1 19  14 3  o 68.34614 6.618985 411.1453       76.28367 351.0658       102.7670 484.8747       113.8442 61.89090 10.06976 73.27364 9.308365 -11.38274      13.71298 
1 1 1 19  14 4  o 77.66873 6.242996 528.9709       82.10252 454.3094       110.0697 622.6127       123.2692 70.78995 9.332836 83.27838 8.801384 -12.48843      12.82834 
1 1 1 19  14 5  o 74.18037 6.537305 485.0325       81.96478 531.7803       109.6726 425.8855       123.3628 76.90217 8.493089 67.54144 11.08010 9.360733       13.96070 
1 1 1 19  14 6  o 146.3035 5.686176 1865.490       142.0617 1926.094       185.8560 1780.321       220.3244 147.6440 7.371550 140.3494 9.244608 7.294586       11.82381 
1 1 1 19  14 7  o 46.65097 9.909768 204.8263       76.50864 25.40652       93.50964 568.1731       133.0705 27.77240 11.66065 78.29037 10.19526 -50.51797      15.48916 
1 1 1 19  14 8  o 105.4770 5.746995 975.3884       103.1240 1036.205       138.8282 900.5214       154.0326 107.6921 7.597782 99.35216 9.182791 8.339905       11.91847 
1 1 1 19  14 9  o 65.14402 6.812101 378.9772       74.65971 315.9500       105.6421 441.8678       105.5275 57.35119 11.18856 69.24568 9.148217 -11.89449      14.45246 
1 1 1 19  14 10 o 17.54876 8.209708 -52.74329      61.32196 -110.0948      83.83975 13.23474       89.92429 18.63421 8.964305 26.18450 11.23005 -7.550287      14.36916 
1 1 1 19  15 0  f 134.5965 5.093724 1568.419       117.0769 1377.844       168.4810 1746.376       162.8081 124.6998 7.953407 141.2948 6.747579 -16.59499      10.43008 
1 1 1 19  15 1  o 107.3483 5.497324 1003.125       100.4359 818.9691       139.4803 1201.434       144.7413 95.61200 8.635983 116.6772 7.301223 -21.06519      11.30876 
1 1 1 19  15 2  o 155.0066 5.449352 2088.093       144.2437 2142.683       211.0057 2040.203       197.6331 155.2870 7.984157 151.7616 7.650598 3.525375       11.05796 
1 1 1 19  15 3  f 45.98904 9.736774 197.8275       74.08463 43.94150       100.7793 378.7659       109.2791 30.06544 12.31545 63.77045 10.39296 -33.70501      16.11471 
1 1 1 19  15 4  o 98.42905 5.717384 848.6271       95.68578 617.4063       140.0667 1050.961       131.0255 81.59765 10.28024 108.8562 7.087207 -27.25851      12.48647 
1 1 1 19  15 5  o 65.14591 7.436329 381.2622       81.24471 459.0739       105.2027 266.2808       127.8847 70.84665 8.891584 51.26656 14.14616 19.58009       16.70850 
1 1 1 19  15 6  o 52.65432 9.815304 260.4665       85.00819 278.8604       114.8536 238.1826       126.4159 53.00580 12.82727 48.39482 14.30231 4.610973       19.21185 
1 1 1 19  15 7  o 111.0068 5.471901 1077.446       103.7265 1052.613       143.7310 1104.436       149.8428 108.1549 7.835308 110.6919 7.980707 -2.536972      11.18408 
1 1 1 19  15 8  o 76.14672 6.540738 516.8776       84.22556 431.0311       112.6814 625.5649       126.7886 67.58204 10.07141 82.22353 9.186921 -14.64149      13.63205 
1 1 1 19  16 0  o 106.8294 5.833916 1000.532       106.0247 865.6544       140.8342 1176.977       161.0800 97.91222 8.507616 114.4067 8.301475 -16.49445      11.88672 
1 1 1 19  16 1  o 96.11129 5.778918 810.9067       94.40602 722.0107       132.3556 902.9740       134.6957 89.06797 8.817843 100.2576 7.932234 -11.18958      11.86064 
1 1 1 19  16 2  o 80.98116 6.447109 581.1081       88.41763 498.0244       121.2864 675.3410       129.1682 73.11173 9.974867 85.96147 8.929646 -12.84974      13.38793 
1 1 1 19  16 3  o 59.29740 8.536937 322.7690       83.95329 322.8867       109.7905 322.6033       130.2764 57.74833 11.53694 56.46811 13.65908 1.280224       17.87936 
1 1 1 19  16 4  o 22.55597 10.31097 -43.08931      88.80504 3.326150       127.3208 -87.06293      123.9265 29.69579 13.04125 25.02487 11.69551 4.670921       17.51740 
1 1 1 19  16 5  o 33.62428 11.72507 102.8538       82.70921 140.7303       115.8574 63.48880       118.1121 38.59073 13.83809 32.47867 13.32154 6.112061       19.20823 
1 1 1 19  16 6  o 36.96626 10.81962 132.8643       72.65626 125.2602       91.52155 145.8246       119.4833 36.22369 12.34685 38.94556 14.04329 -2.721867      18.69916 
1 1 1 19  17 0  o 40.74799 12.21778 164.0171       91.75137 158.0696       123.8216 171.2591       136.6346 40.39867 14.32492 41.80262 15.02376 -1.403957      20.75854 
1 1 1 19  17 1  o 49.92440 17.61707 274.4581       187.0567 0.000000       0.000000 274.4581       187.0567 ?        ?        49.92440 17.61707 0.000000       17.61707 
1 1 1 19  17 2  o 29.90110 11.75298 63.63094       87.85500 122.8107       112.1259 -30.47806      141.3953 36.66977 13.54410 29.08700 13.18498 7.582766       18.90202 
1 1 1 19  17 3  o 57.99363 9.531554 318.2579       91.11403 244.3661       124.0468 404.8294       134.2688 48.12910 14.15178 63.22099 12.87432 -15.09189      19.13167 
1 1 1 19  17 4  o 42.15441 12.48890 180.4386       96.29527 280.4500       143.7939 99.11712       129.6637 50.70817 15.31581 35.40193 14.16088 15.30624       20.85916 
1 1 1 19  18 0  o 26.34919 11.05046 29.25803       83.82321 95.04915       108.4605 -68.32182      132.0894 33.70477 13.11276 26.21797 12.19305 7.486807       17.90572 
1 1 1 20  0  0  o 207.0444 7.084100 3683.495       249.8020 3683.495       249.8020 3683.495       249.8020 207.0444 7.084100 207.0444 7.084100 0.000000       0.000000 
1 1 1 20  0  1  o 15.37269 10.26120 -24.52900      73.65455 -24.52900      73.65455 -24.52900      73.65455 15.37269 10.26120 15.37269 10.26120 0.000000       0.000000 
1 1 1 20  0  2  o 149.2500 6.808094 1919.335       172.6947 1919.335       172.6947 1919.335       172.6947 149.2500 6.808094 149.2500 6.808094 0.000000       0.000000 
1 1 1 20  0  3  o 443.9807 11.91910 17024.13       902.1968 17024.13       902.1968 17024.13       902.1968 443.9807 11.91910 443.9807 11.91910 0.000000       0.000000 
1 1 1 20  0  4  o 21.72419 12.52469 50.97685       74.80837 50.97685       74.80837 50.97685       74.80837 21.72419 12.52469 21.72419 12.52469 0.000000       0.000000 
1 1 1 20  0  5  o 28.52085 18.01739 33.74966       187.3197 33.74966       187.3197 33.74966       187.3197 28.52085 18.01739 28.52085 18.01739 0.000000       0.000000 
1 1 1 20  0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  7  o 133.6555 7.235146 1544.436       164.0280 1544.436       164.0280 1544.436       164.0280 133.6555 7.235146 133.6555 7.235146 0.000000       0.000000 
1 1 1 20  0  8  o 59.78218 8.877796 326.3265       84.75198 326.3265       84.75198 326.3265       84.75198 59.78218 8.877796 59.78218 8.877796 0.000000       0.000000 
1 1 1 20  0  9  o 118.9856 6.014419 1221.887       121.4928 1221.887       121.4928 1221.887       121.4928 118.9856 6.014419 118.9856 6.014419 0.000000       0.000000 
1 1 1 20  0  10 o 49.10519 12.57816 244.8681       91.17480 244.8681       91.17480 244.8681       91.17480 49.10519 12.57816 49.10519 12.57816 0.000000       0.000000 
1 1 1 20  0  11 o 51.53017 12.55177 266.7107       95.69817 266.7107       95.69817 266.7107       95.69817 51.53017 12.55177 51.53017 12.55177 0.000000       0.000000 
1 1 1 20  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  13 o 38.76924 14.55441 176.9842       90.01686 176.9842       90.01686 176.9842       90.01686 38.76924 14.55441 38.76924 14.55441 0.000000       0.000000 
1 1 1 20  0  14 o 62.40228 10.76663 366.8944       104.4854 366.8944       104.4854 366.8944       104.4854 62.40228 10.76663 62.40228 10.76663 0.000000       0.000000 
1 1 1 20  0  15 o 13.34975 9.303159 -69.13840      76.46925 -69.13840      76.46925 -69.13840      76.46925 13.34975 9.303159 13.34975 9.303159 0.000000       0.000000 
1 1 1 20  0  16 o 61.34953 11.72748 363.7542       109.8471 363.7542       109.8471 363.7542       109.8471 61.34953 11.72748 61.34953 11.72748 0.000000       0.000000 
1 1 1 20  0  17 o 62.83394 9.489414 367.1016       94.95423 367.1016       94.95423 367.1016       94.95423 62.83394 9.489414 62.83394 9.489414 0.000000       0.000000 
1 1 1 20  0  18 o 66.57322 8.917704 407.2219       96.27582 407.2219       96.27582 407.2219       96.27582 66.57322 8.917704 66.57322 8.917704 0.000000       0.000000 
1 1 1 20  1  0  o 133.2491 4.890179 1520.218       111.2733 1601.721       156.1214 1436.066       158.6372 136.6093 6.692376 129.0990 7.224818 7.510300       9.848142 
1 1 1 20  1  1  o 210.7177 5.213478 3803.746       187.5990 3771.636       264.3706 3836.314       266.2496 209.4774 7.390505 211.2678 7.379953 -1.790466      10.44429 
1 1 1 20  1  2  f 221.8097 5.105693 4214.794       193.3914 4244.033       272.3737 4185.067       274.6339 222.2181 7.177674 220.6465 7.288785 1.571625       10.22963 
1 1 1 20  1  3  o 185.2961 5.190273 2942.099       164.2323 2838.611       232.9861 3044.306       231.5396 181.6538 7.510756 188.1761 7.205413 -6.522324      10.40814 
1 1 1 20  1  4  o 133.6185 4.484473 1528.671       102.3246 1617.000       143.4452 1437.159       146.0064 137.2603 6.119828 129.1759 6.641408 8.084396       9.031091 
1 1 1 20  1  5  o 145.6322 11.81213 1858.306       291.2256 1951.141       419.0115 1771.554       405.0534 147.3191 16.96572 140.1623 17.28955 7.156769       24.22322 
1 1 1 20  1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1  7  o 90.11304 5.154947 698.3202       78.99634 616.8223       127.3867 749.2448       100.6965 84.02532 9.019015 93.18259 6.366271 -9.157265      11.03957 
1 1 1 20  1  8  o 64.68042 5.942256 362.1523       64.89964 261.3645       97.35661 442.7611       87.06687 53.89069 10.95250 71.36089 7.245284 -17.47020      13.13208 
1 1 1 20  1  9  o 44.57642 8.042201 176.7295       58.96601 148.6415       85.52132 202.1828       81.41148 40.73283 11.68606 47.31997 10.36192 -6.587135      15.61837 
1 1 1 20  1  10 o 46.86399 7.915192 195.0587       61.08736 235.0099       85.99641 154.3665       86.79019 51.03425 10.22404 41.35739 11.74154 9.676857       15.56903 
1 1 1 20  1  11 o 112.7000 6.420194 1099.490       123.0475 1064.156       138.2927 1233.765       269.5892 110.6307 7.362219 116.6766 13.79774 -6.045929      15.63905 
1 1 1 20  1  12 o 66.35281 7.223640 385.9400       80.52733 411.1973       107.0558 353.0270       122.2082 67.90387 9.491846 62.07473 11.96258 5.829144       15.27084 
1 1 1 20  1  13 o 131.2843 6.934338 1499.583       154.9089 1590.198       178.4910 1223.015       311.8308 134.8808 7.782387 113.6672 16.55095 21.21358       18.28933 
1 1 1 20  1  14 o 76.93365 5.690645 514.3746       74.23135 472.2231       105.5660 555.6014       104.4016 72.85497 8.654506 79.38357 7.802296 -6.528603      11.65231 
1 1 1 20  1  15 f 68.73647 6.006197 412.8849       69.79198 480.7438       98.23229 343.7159       99.17599 73.61381 7.940049 61.48613 9.772557 12.12767       12.59155 
1 1 1 20  1  16 o 23.83443 10.32229 -2.750660      77.42853 340.5987       248.6617 -39.61553      81.47926 57.50153 20.30968 22.00223 9.987276 35.49930       22.63247 
1 1 1 20  1  17 o 78.78531 5.590030 542.2425       74.71928 559.8635       106.1571 524.9418       105.1876 79.16461 7.960563 76.54205 8.173940 2.622566       11.40981 
1 1 1 20  1  18 o 48.43817 8.427771 214.8937       67.17938 310.8999       91.15538 100.7589       99.38979 58.00151 9.534647 34.79354 12.76780 23.20797       15.93506 
1 1 1 20  2  0  o 31.35767 9.691378 84.67405       57.14746 94.15523       75.73918 72.14104       87.07975 33.81211 11.23068 32.35840 11.93905 1.453716       16.39113 
1 1 1 20  2  1  o 185.7162 5.118058 2954.479       162.3143 2591.942       228.1197 3326.235       231.0017 173.5947 7.695277 196.7981 6.873729 -23.20334      10.31821 
1 1 1 20  2  2  o 256.3668 5.754264 5635.957       251.9146 5607.043       346.9122 5668.211       366.4090 255.2073 7.960211 256.4857 8.365677 -1.278458      11.54771 
1 1 1 20  2  3  o 130.3462 4.231980 1454.189       94.19851 1345.137       148.6575 1527.354       121.7647 124.9098 6.997447 133.4893 5.341622 -8.579491      8.803249 
1 1 1 20  2  4  o 118.3128 4.232368 1198.195       85.51006 1202.974       134.3538 1194.941       110.8628 118.1415 6.686997 118.0501 5.499427 0.9142303E-01  8.657923 
1 1 1 20  2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2  7  o 194.3015 4.616258 3233.873       153.1681 3324.825       255.1640 3182.639       191.5091 196.4743 7.605218 192.5732 5.823601 3.901031       9.578814 
1 1 1 20  2  8  o 127.5813 4.578322 1394.423       99.74591 1246.206       154.1907 1501.084       130.8014 120.0345 7.560932 132.2386 5.792317 -12.20408      9.524632 
1 1 1 20  2  9  o 48.05299 9.190901 206.6701       72.67062 305.6136       102.4178 106.3469       103.1294 58.35358 10.67118 36.95425 13.07655 21.39933       16.87810 
1 1 1 20  2  10 o 113.6754 4.927639 1109.307       95.65490 1146.828       140.7298 1077.086       130.4116 115.0132 7.201638 111.5219 6.881464 3.491295       9.960831 
1 1 1 20  2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2  12 o 16.90650 8.238723 -136.0177      76.89305 -125.3022      81.94119 -215.0330      222.5110 18.16475 8.769561 32.45857 15.32566 -14.29382      17.65732 
1 1 1 20  2  13 o 57.01590 7.535252 287.6354       71.56857 386.8602       116.3239 227.1973       90.78503 65.23275 10.82171 49.64817 10.99772 15.58458       15.42917 
1 1 1 20  2  14 o 106.5610 4.713725 978.0292       85.77573 1049.876       122.9827 909.9728       119.6946 109.7650 6.591660 102.0599 6.908487 7.705154       9.548675 
1 1 1 20  2  15 o 49.62985 8.205137 221.9916       67.10940 145.1408       88.91631 323.7158       102.2986 39.63757 12.05978 59.33680 10.47904 -19.69923      15.97651 
1 1 1 20  2  16 o 86.45546 5.242043 649.9723       77.02620 654.1875       112.3454 646.2332       105.8110 85.83025 7.748567 85.47896 7.319456 0.3512955      10.65902 
1 1 1 20  2  17 o 47.28323 11.15901 212.2676       88.65121 91.16756       276.5735 226.1344       93.58926 45.10472 19.52147 48.72589 11.44286 -3.621166      22.62801 
1 1 1 20  2  18 o 72.66640 5.895284 464.2467       72.52377 355.6287       103.3954 569.4402       101.7525 61.77757 10.15383 79.82502 7.554407 -18.04745      12.65580 
1 1 1 20  3  0  o 145.8313 5.092083 1821.656       126.8084 1832.295       170.1187 1808.354       190.2302 146.0709 6.820034 144.7955 7.721350 1.275360       10.30204 
1 1 1 20  3  1  o 239.7639 4.849290 4923.257       198.5472 5239.591       328.0189 4740.344       249.4301 246.7601 7.784343 235.0400 6.214487 11.72014       9.960715 
1 1 1 20  3  2  o 133.7791 4.325194 1531.903       98.80887 1636.377       155.9790 1461.879       127.6992 138.0355 6.617190 130.5634 5.727496 7.472107       8.751652 
1 1 1 20  3  3  o 335.7969 5.718053 9671.475       327.8890 9881.530       546.5646 9553.374       409.8263 338.0964 9.466709 333.2995 7.200509 4.796875       11.89394 
1 1 1 20  3  4  o 104.9651 12.37070 973.6895       217.4799 971.8427       311.1606 975.4533       304.0875 102.8764 18.38677 103.2508 17.89502 -0.3744125     25.65746 
1 1 1 20  3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3  6  o 272.8326 5.202462 6380.816       242.3858 5922.442       406.1968 6634.285       302.0573 261.7969 9.085945 277.9275 6.364377 -16.13065      11.09323 
1 1 1 20  3  7  o 269.4051 5.234987 6223.347       240.8371 5952.320       402.3500 6374.674       300.6458 262.3981 8.979277 272.3588 6.464155 -9.960663      11.06403 
1 1 1 20  3  8  o 201.6541 4.656874 3484.648       160.3627 3201.873       261.3114 3655.481       203.1061 192.6351 7.943668 206.3395 5.764194 -13.70445      9.814672 
1 1 1 20  3  9  o 112.1097 4.857846 1078.115       93.00124 887.1591       135.1599 1249.819       128.1659 101.0195 7.897868 120.3660 6.257006 -19.34657      10.07603 
1 1 1 20  3  10 o 92.79871 6.925099 747.6639       108.9508 760.0685       130.1675 718.6401       199.1074 93.24727 8.260042 88.94672 13.53554 4.300552       15.85683 
1 1 1 20  3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3  12 o 42.59183 9.065299 164.5693       63.91040 192.0287       96.04704 142.7506       85.61563 45.57812 12.12760 39.67967 11.78066 5.898449       16.90747 
1 1 1 20  3  13 o 167.1706 4.698902 2405.102       134.1399 2340.879       214.9295 2446.079       171.6804 163.8454 7.681744 168.1786 5.977891 -4.333191      9.733672 
1 1 1 20  3  14 f 29.29843 9.885184 72.10510       58.65936 91.15131       85.96358 55.50862       80.24506 33.57922 11.93270 29.41446 11.32477 4.164759       16.45113 
1 1 1 20  3  15 o 70.46584 5.973420 434.1735       71.20262 430.8618       107.0627 436.7998       95.34435 69.06470 9.315451 69.99424 8.128167 -0.9295349     12.36304 
1 1 1 20  3  16 o 44.12072 9.567490 180.7233       70.00825 154.8148       108.3798 199.2742       91.70859 40.82291 13.42847 45.74158 11.69529 -4.918678      17.80741 
1 1 1 20  3  17 o 99.86274 5.088077 866.9914       86.48034 925.2486       132.4311 823.6779       114.1897 102.0430 7.655643 96.57609 6.970818 5.466957       10.35380 
1 1 1 20  3  18 o 91.88457 5.637128 739.4396       88.02357 623.9231       125.1431 852.5546       123.8354 82.77061 8.998771 97.78370 7.472690 -15.01309      11.69696 
1 1 1 20  4  0  o 256.4720 4.921891 5633.949       215.5628 5532.459       359.3986 5690.973       269.3999 253.4202 8.304877 257.5456 6.125497 -4.125427      10.31953 
1 1 1 20  4  1  o 163.5042 4.275411 2288.208       119.3737 2143.503       184.5707 2392.267       156.5167 157.9478 6.843012 167.0483 5.486769 -9.100449      8.771057 
1 1 1 20  4  2  o 181.1710 4.298496 2809.738       132.9864 2724.259       208.6991 2868.175       172.5560 178.0399 6.864381 182.8922 5.525006 -4.852356      8.811664 
1 1 1 20  4  3  o 172.0374 4.190479 2533.461       123.1086 2428.601       196.7184 2600.966       157.8367 168.0848 6.853534 174.1818 5.306441 -6.096985      8.667713 
1 1 1 20  4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4  6  o 73.41795 6.151865 466.0795       76.41684 430.7552       103.3062 508.7638       113.5595 70.07998 8.828288 76.23657 8.889792 -6.156593      12.52865 
1 1 1 20  4  7  o 78.82417 5.792676 536.1752       77.42611 534.6320       108.3014 537.7886       110.7332 78.29253 8.223357 78.49218 8.391338 -0.1996460     11.74896 
1 1 1 20  4  8  o 256.8129 5.125885 5658.135       224.7955 5552.592       373.8710 5717.896       281.3286 253.3000 8.643400 257.8266 6.389755 -4.526611      10.74883 
1 1 1 20  4  9  o 159.3307 6.081996 2184.783       165.4808 2206.014       205.0110 2145.087       280.3306 159.7718 7.514068 156.3084 10.56436 3.463425       12.96406 
1 1 1 20  4  10 o 70.40208 6.491205 431.2995       77.16026 318.7824       112.3733 531.6722       106.1358 59.16448 11.53688 77.85537 8.101765 -18.69089      14.09745 
1 1 1 20  4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4  12 o 50.53959 7.426611 226.5471       62.18346 308.6971       98.08035 171.3311       80.41013 58.35291 10.21493 43.12962 10.90992 15.22329       14.94560 
1 1 1 20  4  13 o 26.34369 9.539783 51.95317       55.22287 29.47262       85.96527 67.74777       72.05663 27.77322 11.37518 29.93484 10.88849 -2.161617      15.74655 
1 1 1 20  4  14 o 36.68242 9.208295 123.6075       57.59477 159.9266       89.95036 98.37108       74.98059 41.46458 12.01074 33.64473 11.17426 7.819851       16.40493 
1 1 1 20  4  15 o 51.83110 7.881938 241.4676       67.56483 328.9430       113.1144 192.9462       84.24463 59.20850 11.60238 45.30560 10.99940 13.90290       15.98756 
1 1 1 20  4  16 o 79.82609 5.402109 555.7191       73.20589 590.5467       113.5692 530.9614       95.75330 81.17643 8.309865 77.33976 7.338037 3.836670       11.08606 
1 1 1 20  4  17 o 58.75460 6.632880 306.4919       65.38471 259.3447       100.4098 341.2022       86.15446 52.05329 11.59338 61.34226 8.448794 -9.288975      14.34533 
1 1 1 20  4  18 o 16.54443 8.007243 -105.1644      69.39473 -128.2400      125.6362 -95.03349      83.24558 23.82469 11.32727 19.27770 9.180981 4.546986       14.58072 
1 1 1 20  5  0  o 108.0062 5.124585 999.6139       94.51687 1064.963       130.6069 927.7599       136.9529 111.1063 6.918073 103.5208 7.804539 7.585503       10.42931 
1 1 1 20  5  1  o 168.7237 4.249347 2436.880       122.4335 2267.336       190.1844 2556.872       159.9966 162.4164 6.857144 172.6890 5.425555 -10.27260      8.743974 
1 1 1 20  5  2  o 217.2908 4.522420 4043.414       167.8086 3697.826       276.7526 4244.347       211.0272 207.1850 7.822248 222.4562 5.555102 -15.27122      9.594099 
1 1 1 20  5  3  o 34.91154 15.97801 -132.2799      214.1022 39.41230       340.6806 -244.3552      275.2499 51.51807 21.97025 37.21556 17.40490 14.30250       28.02896 
1 1 1 20  5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  5  5  f 172.6541 4.655525 2553.582       137.2611 2467.948       215.4628 2612.073       178.0714 169.3020 7.452611 174.4351 5.978033 -5.133163      9.553967 
1 1 1 20  5  6  o 184.2140 4.595157 2907.209       144.5523 2587.779       229.1161 3118.439       186.3137 173.2655 7.743578 190.6126 5.723889 -17.34712      9.629429 
1 1 1 20  5  7  o 141.7024 6.070110 1725.407       146.8844 1876.033       188.3391 1491.553       234.6727 147.3245 7.511174 130.4931 10.62329 16.83136       13.01046 
1 1 1 20  5  8  o 189.1214 4.793403 3068.015       154.8055 2888.758       246.6730 3184.489       198.8365 182.7917 7.902479 192.4149 6.051393 -9.623291      9.953318 
1 1 1 20  5  9  o 27.96690 10.34040 54.56341       65.38897 0.9823687E-04  92.46510 109.1477       92.48283 26.62647 11.40272 36.34686 12.41141 -9.720385      16.85423 
1 1 1 20  5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  5  11 o 43.22138 9.790801 170.4711       70.58820 178.6181       114.2483 165.4408       89.77296 44.30144 13.70472 42.45063 11.90318 1.850815       18.15227 
1 1 1 20  5  12 f 36.78669 9.257848 123.6350       58.11189 169.1381       91.57034 92.95226       75.19374 42.76464 12.03251 33.15030 11.19195 9.614349       16.43292 
1 1 1 20  5  13 o 96.91257 4.824609 809.4842       79.84435 781.1384       129.2811 826.9633       101.5198 94.07603 8.127172 97.49116 6.129145 -3.415123      10.17926 
1 1 1 20  5  14 o 111.0224 4.731104 1063.530       89.69642 1073.410       142.2949 1057.016       115.5426 110.3934 7.594415 110.1174 6.169298 0.2760162      9.784446 
1 1 1 20  5  15 o 42.67183 9.214199 168.3712       65.17789 228.5695       93.17309 110.6840       91.20918 49.14750 11.33326 35.62472 12.31902 13.52278       16.73920 
1 1 1 20  5  16 o 117.9523 4.700022 1203.707       94.66913 1076.703       150.3347 1287.166       121.8675 109.9031 8.066623 121.5264 5.872393 -11.62330      9.977745 
1 1 1 20  5  17 o 24.72444 10.34945 18.24607       73.30782 45.40979       127.7092 4.897105       89.52641 32.62387 13.65843 25.83513 11.14414 6.788744       17.62794 
1 1 1 20  6  0  o 44.88660 8.578051 179.5394       63.35462 183.0446       75.96817 171.5336       114.8101 45.09729 10.11397 44.25049 13.74653 0.8468018      17.06633 
1 1 1 20  6  1  o 83.06722 5.934231 595.2354       83.62337 598.2029       105.7633 590.2863       136.5840 83.01605 7.542871 81.96389 9.963224 1.052162       12.49643 
1 1 1 20  6  2  o 72.33445 23.68118 478.1878       337.2036 0.000000       0.000000 478.1878       337.2036 ?        ?        72.33445 23.68118 0.000000       23.68118 
1 1 1 20  6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  6  4  o 180.3601 4.821591 2787.411       148.5022 2714.737       227.8111 2841.110       195.8267 177.5427 7.513979 181.8595 6.305710 -4.316711      9.809275 
1 1 1 20  6  5  o 111.6318 5.110082 1068.499       97.41318 1177.319       140.1010 966.6517       135.5384 116.7479 7.060541 105.6523 7.562459 11.09560       10.34611 
1 1 1 20  6  6  o 142.3994 5.767632 1741.214       140.2515 1690.050       181.2353 1817.598       221.4434 139.7958 7.620598 144.6333 9.010636 -4.837463      11.80106 
1 1 1 20  6  7  o 197.6966 4.774689 3352.062       161.1930 3532.743       264.6224 3245.466       203.2544 202.2453 7.662070 194.2477 6.127485 7.997665       9.810881 
1 1 1 20  6  8  o 92.73010 5.265801 741.2577       83.04097 790.8177       129.9827 707.0811       107.9405 95.19610 8.071885 90.21404 7.063012 4.982063       10.72574 
1 1 1 20  6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  6  11 o 229.6371 4.859138 4539.356       190.5475 4612.125       324.0688 4500.904       235.5718 229.7152 8.261246 228.1554 6.046313 1.559799       10.23748 
1 1 1 20  6  12 o 60.74969 7.032700 325.2255       71.60811 255.8260       117.9810 365.7021       90.10223 52.00788 13.24765 64.05170 8.443441 -12.04381      15.70961 
1 1 1 20  6  13 o 53.26004 6.910292 251.1483       61.36796 134.5538       97.35119 328.0316       79.05298 38.74535 12.72604 60.71402 7.805553 -21.96867      14.92912 
1 1 1 20  6  14 o 18.45485 8.341087 -26.91928      56.11325 -17.93171      81.38683 -35.06264      77.47021 23.37173 10.33833 21.65868 9.793863 1.713047       14.24081 
1 1 1 20  6  15 o 41.56080 8.585665 158.9507       58.91763 206.5182       93.46234 127.5823       75.89745 46.45925 11.76751 36.98509 11.11731 9.474159       16.18854 
1 1 1 20  6  16 o 65.15456 5.973092 373.5817       65.71799 365.5652       104.9215 378.7573       84.30367 62.76979 10.13358 64.96377 7.752421 -2.193977      12.75890 
1 1 1 20  6  17 o 44.90939 8.786288 187.1512       64.96883 174.4026       96.67982 197.6488       87.73038 42.27411 12.51140 45.20741 11.37393 -2.933296      16.90862 
1 1 1 20  7  0  o 209.8661 15.00426 3909.827       534.1771 3478.781       960.1833 4103.034       642.8412 186.7549 31.20924 213.3827 17.80439 -26.62782      35.93067 
1 1 1 20  7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  7  3  o 95.89681 5.402884 791.3014       88.11681 726.5104       120.7093 865.2158       128.9283 91.48022 7.801579 99.92451 7.612972 -8.444290      10.90055 
1 1 1 20  7  4  o 246.7185 6.078966 5228.986       256.1140 5002.777       348.9752 5493.058       377.0519 240.6294 8.492664 252.0500 8.760172 -11.42059      12.20106 
1 1 1 20  7  5  o 133.7607 5.059289 1534.495       115.5634 1484.181       170.3887 1577.355       157.2620 130.9584 7.652426 135.1998 6.833714 -4.241348      10.25959 
1 1 1 20  7  6  f 114.5588 5.161347 1126.471       100.9702 1382.333       153.0481 929.2851       134.3576 126.4098 7.118961 103.4503 7.659956 22.95953       10.45727 
1 1 1 20  7  7  o 59.95469 7.839345 316.3183       78.33896 294.6439       106.6216 341.7458       115.4845 56.96389 11.35927 61.43603 11.42836 -4.472137      16.11336 
1 1 1 20  7  8  o 18.60841 8.587919 -48.90526      63.66669 -19.90382      86.23989 -83.64529      94.38730 24.30729 10.70255 22.00128 10.25702 2.306005       14.82400 
1 1 1 20  7  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  7  10 o 41.57605 8.984979 157.1452       61.93009 248.8665       94.10671 87.07943       82.25050 52.04651 10.93588 33.01717 11.67864 19.02934       15.99950 
1 1 1 20  7  11 f 129.2863 4.503681 1438.276       99.43108 1487.525       163.3398 1409.282       125.3273 130.4476 7.362618 127.6669 5.748643 2.780678       9.341042 
1 1 1 20  7  12 o 74.12082 5.783198 478.5525       72.62057 550.6104       111.3467 425.2120       95.79984 78.71365 8.414063 69.11333 8.282062 9.600319       11.80631 
1 1 1 20  7  13 o 31.27288 10.17549 86.01357       62.29369 222.9273       89.03977 -45.24874      87.18273 48.78668 10.95568 22.59438 10.28487 26.19230       15.02682 
1 1 1 20  7  14 o 83.84200 5.138884 611.4748       73.22038 418.6510       118.4021 730.8779       93.17229 67.19380 10.67585 91.39434 6.003265 -24.20054      12.24798 
1 1 1 20  7  15 o 136.2234 4.554498 1604.827       105.9483 1577.500       172.4806 1621.385       134.2644 133.3593 7.605333 136.4040 5.764105 -3.044693      9.542850 
1 1 1 20  7  16 o 70.57631 6.108726 439.3568       72.89668 229.4252       127.5457 541.1976       88.83572 47.79239 14.42218 78.12891 6.723967 -30.33652      15.91261 
1 1 1 20  8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  8  2  o 30.57627 10.74428 72.14891       69.51428 93.11964       79.16614 1.533897       145.2717 33.83834 11.48348 33.41616 14.30100 0.4221840      18.34091 
1 1 1 20  8  3  o 60.41599 8.471385 321.3842       84.99676 261.7072       102.3730 453.8055       152.4967 53.78022 11.49556 70.83695 13.08876 -17.05673      17.42021 
1 1 1 20  8  4  o 77.23686 6.635540 517.1760       86.66931 546.8525       118.2666 482.7510       127.3777 78.97107 8.926564 73.78131 10.39825 5.189758       13.70427 
1 1 1 20  8  5  o 88.65295 6.087338 679.3199       91.59740 528.4692       124.4567 857.5958       135.2979 77.37254 9.627756 99.24179 8.052970 -21.86926      12.55165 
1 1 1 20  8  6  o 119.7659 4.976799 1231.999       101.7853 1120.560       153.7628 1318.919       135.7977 113.4264 7.989488 123.5055 6.461248 -10.07901      10.27520 
1 1 1 20  8  7  o 92.09702 5.566444 733.0320       87.13242 753.4083       128.3332 715.6058       118.6799 92.73541 8.187943 90.48035 7.756031 2.255058       11.27823 
1 1 1 20  8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  8  9  o 51.65832 8.431107 238.9520       71.80901 323.9392       98.70324 143.3874       104.6654 59.85260 10.01065 40.27213 13.19389 19.58046       16.56176 
1 1 1 20  8  10 o 63.40414 6.529645 352.3566       69.68715 448.3961       104.2605 274.8041       93.68984 70.92957 8.796549 54.79729 10.39251 16.13227       13.61557 
1 1 1 20  8  11 f 62.14485 6.900026 340.3022       71.98855 344.0185       103.0048 336.7538       100.6504 61.42370 10.17645 60.80545 10.04398 0.6182480      14.29831 
1 1 1 20  8  12 o 70.35042 5.979652 432.9079       71.15538 413.0945       107.9090 448.1508       94.64785 67.45110 9.642873 70.95656 7.947675 -3.505455      12.49602 
1 1 1 20  8  13 o 100.4986 4.935976 874.2854       84.71004 1011.959       134.2685 783.2521       109.1816 106.9886 7.394484 94.31275 6.825305 12.67581       10.06296 
1 1 1 20  8  14 o 99.00348 5.116842 852.6512       86.21198 652.1030       131.8996 1002.233       113.9128 84.74127 9.265773 106.8758 6.268968 -22.13448      11.18725 
1 1 1 20  8  15 o 87.26594 4.999398 663.3719       74.19115 556.0070       121.5419 727.1360       93.66612 77.96687 9.313125 90.95977 6.064966 -12.99290      11.11387 
1 1 1 20  8  16 o 119.0620 4.716115 1230.637       95.88698 1064.207       153.5205 1337.091       122.7817 108.5623 8.344943 123.5748 5.818374 -15.01251      10.17308 
1 1 1 20  9  0  o 84.68558 6.343910 619.9595       91.07545 501.2573       109.0955 892.9224       165.4358 75.67320 8.594804 101.0047 9.711185 -25.33154      12.96834 
1 1 1 20  9  1  o 120.1399 5.363538 1238.620       110.0374 1068.306       140.1643 1512.201       177.6462 111.0767 7.432341 132.1279 7.909716 -21.05114      10.85372 
1 1 1 20  9  2  o 47.09900 9.139572 198.6122       70.85728 120.1152       80.90792 456.9910       146.7887 37.11178 11.54160 71.18253 12.53363 -34.07074      17.03821 
1 1 1 20  9  3  o 70.66390 7.674455 436.2821       91.11893 447.8470       112.6684 414.4172       154.9186 71.18542 9.505998 67.22396 13.95201 3.961456       16.88261 
1 1 1 20  9  4  o 74.11122 7.048511 478.3356       88.12955 392.3551       113.7629 607.3735       139.3669 66.24811 10.39840 82.83878 10.05831 -16.59068      14.46708 
1 1 1 20  9  5  o 131.9508 5.027512 1496.294       113.2836 1626.749       170.3440 1392.849       151.6884 136.9024 7.312876 126.7274 7.037074 10.17498       10.14882 
1 1 1 20  9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  9  8  o 68.31940 6.489377 407.9247       74.80035 372.7587       107.2619 441.2168       104.3649 64.22988 10.11374 70.40321 8.878222 -6.173325      13.45773 
1 1 1 20  9  9  o 81.40236 5.958695 576.6083       82.25488 543.7557       130.3315 598.3566       106.0416 77.70526 10.05795 82.45058 7.617606 -4.745316      12.61706 
1 1 1 20  9  10 o 127.2558 4.692111 1395.935       101.9642 1527.885       162.0903 1309.528       131.1676 132.1006 7.212669 122.6417 6.284166 9.458969       9.566260 
1 1 1 20  9  11 o 21.85788 9.236365 7.185880       59.28017 59.74142       83.26677 -46.82869      84.41467 29.97070 11.53684 22.08485 10.07897 7.885853       15.31941 
1 1 1 20  9  12 o 66.36224 6.268209 387.5936       70.19278 330.1806       105.1977 433.6682       94.23913 59.50943 10.74736 69.57176 8.082888 -10.06233      13.44764 
1 1 1 20  9  13 o 70.72005 6.312204 440.8661       75.42867 540.2119       125.0789 384.0896       94.55716 76.78373 9.759739 65.04042 8.734244 11.74331       13.09731 
1 1 1 20  9  14 o 67.23256 6.296592 399.4706       71.44948 430.5320       108.3934 375.6044       95.01316 68.40037 9.539537 64.10877 8.920639 4.291595       13.06065 
1 1 1 20  9  15 o 31.53907 10.21376 90.77713       62.80188 90.72327       93.01488 90.82226       85.13754 33.18496 12.32025 32.70029 11.84460 0.4846649      17.09044 
1 1 1 20  10 0  o 122.7585 5.496283 1294.131       115.2186 1459.830       155.8584 1094.457       171.0924 129.9547 7.049596 112.0030 9.021881 17.95162       11.44950 
1 1 1 20  10 1  f 164.7822 5.446134 2332.677       153.2500 2241.571       200.9542 2459.308       236.9150 161.1398 7.302850 168.5355 8.231886 -7.395721      11.00434 
1 1 1 20  10 2  o 78.90044 7.068017 541.6923       94.22182 526.6213       117.4753 568.8716       157.7598 77.31953 9.069519 79.54373 11.98627 -2.224205      15.03087 
1 1 1 20  10 3  o 97.40856 6.245039 821.4173       103.3333 789.8986       131.3786 872.5446       167.3274 95.04813 8.173813 99.37620 9.995740 -4.328064      12.91224 
1 1 1 20  10 4  o 25.78240 10.53874 23.62431       73.60371 -52.54208      88.17927 198.6108       133.6556 22.60825 10.31141 46.85443 14.87175 -24.24618      18.09680 
1 1 1 20  10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  10 6  o 43.23701 10.88948 172.2726       80.35696 369.9091       115.4073 -13.71718      111.9551 63.72537 11.00294 28.13127 12.29460 35.59410       16.49915 
1 1 1 20  10 7  o 152.8333 4.602589 2010.234       120.1219 1773.416       189.2399 2170.043       155.4554 142.2955 7.817863 158.4437 5.745515 -16.14821      9.702059 
1 1 1 20  10 8  o 49.12140 8.085978 216.6584       65.46674 267.4058       96.10109 172.7152       89.42672 53.81794 10.83178 43.03611 11.81064 10.78183       16.02556 
1 1 1 20  10 9  o 48.19625 8.427394 210.0639       66.83432 134.4607       93.82706 287.9358       95.22445 38.57979 12.48328 55.95991 10.34591 -17.38012      16.21327 
1 1 1 20  10 10 o 42.26057 9.264005 164.8372       65.01157 128.8053       91.92543 200.8924       91.95506 37.72032 12.36520 46.06206 11.67515 -8.341740      17.00610 
1 1 1 20  10 11 o 105.4821 4.899319 963.3522       88.25036 850.4111       136.6508 1044.158       115.5868 97.55353 8.281141 109.1891 6.224861 -11.63554      10.35984 
1 1 1 20  10 12 o 71.51968 6.286908 450.9286       76.00313 438.0884       124.8522 458.4882       95.79831 68.32967 11.07944 71.44759 7.988518 -3.117912      13.65908 
1 1 1 20  10 13 o 57.99020 7.321950 301.8103       70.89153 330.6676       103.3284 276.1474       97.44189 59.28372 10.59548 53.89284 10.96117 5.390884       15.24505 
1 1 1 20  10 14 o 60.11912 7.180575 324.7504       72.25936 364.1210       105.2741 289.6774       99.36234 62.20804 10.26828 54.99859 10.96430 7.209450       15.02177 
1 1 1 20  11 0  o 73.25643 7.121753 468.1016       87.96497 379.1672       106.7040 656.7463       155.4062 65.17786 9.898132 85.85639 10.84137 -20.67854      14.68021 
1 1 1 20  11 1  o 80.28146 6.946274 561.4186       94.29065 663.6744       117.7698 378.8259       157.3735 87.06851 8.010677 63.60307 14.77221 23.46545       16.80444 
1 1 1 20  11 2  o 85.18473 6.601298 631.1702       95.27705 607.4267       119.4624 672.6710       157.9382 83.04333 8.546137 86.63719 10.91776 -3.593857      13.86484 
1 1 1 20  11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  11 5  o 125.1923 5.231651 1351.770       111.8455 1402.582       159.1921 1302.238       157.1740 126.6911 7.390308 121.9867 7.582654 4.704407       10.58836 
1 1 1 20  11 6  o 128.5323 5.053615 1425.231       110.9217 1338.242       171.6447 1487.608       145.3483 123.2683 8.200920 130.8742 6.503605 -7.605904      10.46671 
1 1 1 20  11 7  o 91.00451 5.798897 720.3985       89.64836 793.5461       137.2120 665.9168       118.4180 94.52401 8.594478 86.72446 8.089395 7.799553       11.80268 
1 1 1 20  11 8  o 144.1514 4.701325 1793.111       115.7287 1948.786       182.9624 1689.288       149.4163 149.2355 7.179392 139.3419 6.279346 9.893692       9.538022 
1 1 1 20  11 9  o 86.54906 5.527130 652.7381       81.26267 707.2575       120.7896 607.6589       109.8354 89.13973 8.021068 82.63732 7.878729 6.502411       11.24330 
1 1 1 20  11 10 o 22.05901 9.338017 8.001287       60.76591 -65.40723      83.61198 90.17902       88.46519 20.82904 9.691534 33.17626 12.06514 -12.34722      15.47558 
1 1 1 20  11 11 o 45.46226 9.074039 191.7007       67.97768 184.2893       95.40113 199.3445       96.88599 43.61710 12.28487 45.31952 12.23393 -1.702419      17.33744 
1 1 1 20  11 12 o 59.41606 7.243482 316.6952       71.97295 287.3219       103.4974 344.2019       100.1551 54.69000 11.44929 60.73709 10.00487 -6.047085      15.20473 
1 1 1 20  11 13 o 18.93283 8.639411 -33.02417      61.99923 -10.09910      85.12958 -58.91843      90.47465 24.06380 10.61245 21.99419 10.18099 2.069609       14.70635 
1 1 1 20  12 0  o 92.82342 6.647747 749.8508       104.6765 727.6738       125.1573 801.4735       190.9521 91.00619 8.139398 93.98553 12.18441 -2.979347      14.65297 
1 1 1 20  12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  12 3  o 80.60239 7.685372 572.0405       104.5013 624.1422       129.2419 473.6515       177.6031 83.69839 9.193879 70.28222 15.23726 13.41618       17.79611 
1 1 1 20  12 4  o 69.02267 7.928285 422.4096       91.75231 373.7250       120.1612 490.4886       142.0938 63.60559 11.48551 72.93550 11.81261 -9.329914      16.47588 
1 1 1 20  12 5  f 42.90182 11.24393 172.0146       83.37360 321.6360       108.1496 -47.16393      130.8962 58.92081 11.15717 28.39301 12.79472 30.52780       16.97608 
1 1 1 20  12 6  o 98.68682 5.641049 846.8469       94.67054 805.0281       129.2221 895.2968       139.0906 95.33994 8.011335 100.5027 8.175203 -5.162727      11.44620 
1 1 1 20  12 7  o 37.13550 10.30060 128.2961       67.60950 178.4022       89.38491 61.29902       103.3586 43.38684 11.76700 31.96494 12.68928 11.42190       17.30549 
1 1 1 20  12 8  o 24.84485 9.901125 32.88541       63.15296 34.08408       84.06110 31.33223       95.68777 27.55484 11.26281 28.66726 11.89687 -1.112423      16.38251 
1 1 1 20  12 9  o 35.50804 10.53758 117.9151       68.51180 113.6028       90.17723 123.8026       105.3671 35.62787 12.25317 37.34002 13.21716 -1.712147      18.02314 
1 1 1 20  12 10 o 44.73947 9.424069 187.1788       69.72629 211.8955       95.75600 159.2813       101.7307 46.71362 11.95423 40.73630 12.97938 5.977325       17.64562 
1 1 1 20  12 11 o 60.21705 7.330173 326.2000       73.82136 358.2215       104.7828 294.6431       104.0197 61.71791 10.30546 55.30353 11.39354 6.414383       15.36279 
1 1 1 20  12 12 o 30.67391 10.52259 83.53461       66.48311 250.8520       91.92475 -99.96779      96.26820 51.00658 10.88524 20.92048 9.937407 30.08610       14.73908 
1 1 1 20  13 0  o 21.29881 9.391189 -15.72840      66.63127 -71.23686      80.08542 109.1191       120.1057 20.18007 9.421374 37.71712 14.00049 -17.53706      16.87531 
1 1 1 20  13 1  o 77.96143 6.328736 530.9523       83.52834 495.8388       110.0499 578.6709       128.2909 74.53334 8.817300 80.30863 9.541440 -5.775291      12.99168 
1 1 1 20  13 2  o 72.21997 6.994369 458.9602       85.17882 383.0027       105.6643 599.9253       143.9456 64.96068 9.832757 81.22475 10.63320 -16.26408      14.48268 
1 1 1 20  13 3  o 25.76302 10.30363 33.33607       68.63436 61.20854       81.78901 -33.01745      126.1942 30.01521 11.46274 28.49130 12.72181 1.523909       17.12422 
1 1 1 20  13 4  o 130.3819 5.560820 1473.834       123.8107 1491.725       163.2969 1449.643       189.8850 130.2338 7.372906 127.6120 8.766768 2.621765       11.45495 
1 1 1 20  13 5  o 80.66087 7.069788 574.5599       96.39764 677.6354       127.4832 436.9300       147.3098 86.93677 8.704062 67.48190 13.25620 19.45486       15.85836 
1 1 1 20  13 6  o 59.90156 7.294878 320.2716       73.07954 257.3589       100.3074 391.4422       106.6876 51.96628 11.59752 65.22596 9.888426 -13.25968      15.24085 
1 1 1 20  13 7  o 48.91970 8.948687 220.7565       72.00097 229.9005       95.64687 208.7985       109.3786 48.88559 11.62700 46.12871 13.21060 2.756886       17.59850 
1 1 1 20  13 8  o 93.82307 5.456840 769.6357       87.05083 701.0966       125.9801 832.2634       120.4247 88.08843 8.479691 96.67645 7.349487 -8.588020      11.22141 
1 1 1 20  13 9  o 65.34320 6.796014 380.5072       74.72324 260.1938       105.4286 501.9501       105.9223 51.57574 12.16731 74.32565 8.498150 -22.74991      14.84123 
1 1 1 20  13 10 o 27.51033 10.73747 50.83186       72.90674 178.0243       108.2482 -54.76775      98.63274 42.32593 13.37841 23.30746 10.73237 19.01847       17.15125 
1 1 1 20  14 0  o 28.21816 11.03504 48.32484       77.11803 -10.47724      97.90337 144.4542       125.1784 26.21054 11.47505 40.68135 14.40554 -14.47081      18.41729 
1 1 1 20  14 1  o 69.33980 6.664507 423.4677       77.94164 396.3534       103.1827 459.4967       118.9417 66.07687 9.410278 70.92543 10.10626 -4.848564      13.80904 
1 1 1 20  14 2  o 69.24822 6.891993 423.7657       80.41682 441.6711       104.4670 397.7245       125.9846 69.92682 8.954158 65.05124 11.77471 4.875580       14.79259 
1 1 1 20  14 3  o 21.55450 9.381127 -5.545750      64.58556 -46.87922      79.28175 76.00085       111.3590 21.17304 9.702286 33.70107 13.23670 -12.52802      16.41172 
1 1 1 20  14 4  o 73.19712 6.591540 473.4975       81.50780 464.4668       108.4507 485.2200       123.5606 71.42665 9.097957 72.43234 10.27781 -1.005692      13.72612 
1 1 1 20  14 5  o 32.05784 11.51759 86.21638       80.29559 132.6522       103.8789 17.28724       126.5617 38.04393 13.14731 30.75885 13.25914 7.285080       18.67235 
1 1 1 20  14 6  o 60.70123 8.554903 336.5442       86.21828 299.1514       101.6766 432.2437       162.6604 56.01441 11.02221 65.08988 14.94913 -9.075470      18.57325 
1 1 1 20  14 7  o 64.55128 7.881378 376.9340       85.07368 363.4321       105.0413 402.6760       145.0386 62.21885 10.24288 63.40075 13.78903 -1.181896      17.17714 
1 1 1 20  14 8  o 24.76752 10.48355 15.70996       76.57699 -99.78396      105.5019 144.3049       111.3250 22.20160 10.50421 38.99064 13.60263 -16.78905      17.18633 
1 1 1 20  14 9  o 46.10354 9.619063 201.9487       73.28087 338.2120       98.51675 33.16742       109.6435 59.79321 10.00169 29.64251 12.54558 30.15070       16.04448 
1 1 1 20  15 0  o 43.31866 11.86974 180.1759       90.40593 158.2031       117.2470 212.3970       141.9808 41.14932 13.97504 46.54053 15.37269 -5.391216      20.77550 
1 1 1 20  15 1  o 61.87257 8.105472 345.9694       83.58067 263.5570       108.7364 464.9698       130.6632 52.05400 12.40808 70.24818 11.27349 -18.19419      16.76460 
1 1 1 20  15 2  o 31.80630 11.44586 84.84345       79.32910 61.23814       95.22421 138.3841       143.4115 30.80023 12.19463 40.11272 15.21202 -9.312492      19.49653 
1 1 1 20  15 3  o 43.20152 9.898021 176.7955       71.45490 139.8226       90.49358 238.0214       116.4509 38.30481 12.24547 48.73756 13.51847 -10.43275      18.24008 
1 1 1 20  15 4  o 38.23729 10.82047 140.1762       73.83189 161.6937       89.91317 95.63193       129.3668 40.75141 12.06674 35.92957 14.21741 4.821838       18.64782 
1 1 1 20  15 5  o 68.77258 7.963469 428.7290       91.79288 469.0210       123.1057 378.2768       137.7556 70.51754 10.54694 61.38570 13.50787 9.131840       17.13769 
1 1 1 20  15 6  o 24.32894 10.04857 24.53067       67.79993 -3.421980      85.74873 71.15366       110.7430 24.51037 10.73471 32.53166 13.06068 -8.021290      16.90607 
1 1 1 20  15 7  o 69.76196 7.688536 441.9518       90.07230 300.0197       124.8324 596.0988       130.0933 54.02484 13.55381 79.77733 9.752398 -25.75249      16.69776 
1 1 1 20  16 0  o 26.95408 10.69255 44.49758       73.34190 64.00979       93.11199 12.60363       119.0437 30.65083 12.08297 29.44780 12.77620 1.203032       17.58492 
1 1 1 20  16 1  o 58.29492 9.629751 318.1625       92.51497 287.4177       126.0544 354.0590       136.2064 53.10325 13.78117 59.08168 13.75708 -5.978424      19.47249 
1 1 1 20  16 2  o 58.33003 8.702291 313.9538       84.02967 359.5971       109.3294 248.0726       131.3498 61.33172 10.83503 48.92989 14.60654 12.40183       18.18650 
1 1 1 20  16 3  o 51.09169 10.99492 253.5579       93.08517 234.5468       125.9832 276.4148       138.1396 47.54027 14.33076 51.19587 14.90007 -3.655594      20.67324 
1 1 1 20  16 4  o 30.58650 11.58875 74.74536       83.18265 127.1678       99.89803 -43.78340      150.2139 36.64884 12.87997 29.33282 13.40939 7.316027       18.59315 
1 1 1 20  16 5  o 24.67198 10.21855 26.04036       70.39384 -38.01422      84.84036 167.5771       126.1136 22.11048 10.09598 40.91007 14.46218 -18.79959      17.63756 
1 1 1 20  17 0  o 44.60492 11.54829 198.0979       88.65361 219.8769       121.6246 173.4088       129.4955 45.84285 14.13339 41.45309 14.65474 4.389763       20.35962 
1 1 1 20  17 1  o 34.43317 15.52863 3.645300       193.2467 0.000000       0.000000 3.645300       193.2467 ?        ?        34.43317 15.52863 0.000000       15.52863 
1 1 1 20  17 2  o 32.26830 11.76929 92.30437       84.26841 21.29492       107.1400 207.4874       136.4545 28.30827 12.20112 44.20940 15.07604 -15.90112      19.39470 
1 1 1 21  0  0  o 221.1294 7.499291 4204.854       282.4457 4204.854       282.4457 4204.854       282.4457 221.1294 7.499291 221.1294 7.499291 0.000000       0.000000 
1 1 1 21  0  1  o 56.47799 12.42993 310.9482       104.8968 310.9482       104.8968 310.9482       104.8968 56.47799 12.42993 56.47799 12.42993 0.000000       0.000000 
1 1 1 21  0  2  o 392.9081 10.90843 13321.10       730.6296 13321.10       730.6296 13321.10       730.6296 392.9081 10.90843 392.9081 10.90843 0.000000       0.000000 
1 1 1 21  0  3  o 39.77772 22.53901 187.7583       236.3797 187.7583       236.3797 187.7583       236.3797 39.77772 22.53901 39.77772 22.53901 0.000000       0.000000 
1 1 1 21  0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  5  o 95.11259 7.731749 790.8794       123.6701 790.8794       123.6701 790.8794       123.6701 95.11259 7.731749 95.11259 7.731749 0.000000       0.000000 
1 1 1 21  0  6  o 253.9069 8.737005 5556.308       377.8086 5556.308       377.8086 5556.308       377.8086 253.9069 8.737005 253.9069 8.737005 0.000000       0.000000 
1 1 1 21  0  7  o 155.8502 7.349762 2096.862       194.6149 2096.862       194.6149 2096.862       194.6149 155.8502 7.349762 155.8502 7.349762 0.000000       0.000000 
1 1 1 21  0  8  o 129.2998 7.262816 1448.078       159.2063 1448.078       159.2063 1448.078       159.2063 129.2998 7.262816 129.2998 7.262816 0.000000       0.000000 
1 1 1 21  0  9  o 102.1070 6.723345 906.2850       116.0650 906.2850       116.0650 906.2850       116.0650 102.1070 6.723345 102.1070 6.723345 0.000000       0.000000 
1 1 1 21  0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  11 o 69.64543 9.876784 443.8833       110.6456 443.8833       110.6456 443.8833       110.6456 69.64543 9.876784 69.64543 9.876784 0.000000       0.000000 
1 1 1 21  0  12 o 234.1573 6.360724 4724.928       253.9165 4724.928       253.9165 4724.928       253.9165 234.1573 6.360724 234.1573 6.360724 0.000000       0.000000 
1 1 1 21  0  13 o 74.23545 8.874682 497.1323       108.2535 497.1323       108.2535 497.1323       108.2535 74.23545 8.874682 74.23545 8.874682 0.000000       0.000000 
1 1 1 21  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  15 o 63.74054 11.17648 386.8971       110.4682 386.8971       110.4682 386.8971       110.4682 63.74054 11.17648 63.74054 11.17648 0.000000       0.000000 
1 1 1 21  0  16 o 37.00757 14.74655 168.5950       90.14413 168.5950       90.14413 168.5950       90.14413 37.00757 14.74655 37.00757 14.74655 0.000000       0.000000 
1 1 1 21  0  17 o 44.45503 13.97818 220.4688       93.19633 220.4688       93.19633 220.4688       93.19633 44.45503 13.97818 44.45503 13.97818 0.000000       0.000000 
1 1 1 21  1  0  o 89.02269 5.669014 682.2659       85.73221 718.3442       114.8669 636.8932       128.8159 91.09138 7.449592 85.46033 8.960071 5.631058       11.65244 
1 1 1 21  1  1  o 266.7015 5.849923 6101.628       266.4266 6109.503       376.0864 6093.695       377.4856 266.2561 8.271535 265.8989 8.313462 0.3571777      11.72740 
1 1 1 21  1  2  o 94.45798 5.463663 767.5441       87.75379 680.9187       126.2827 848.4355       122.0316 88.46473 8.462591 99.05569 7.264920 -10.59096      11.15323 
1 1 1 21  1  3  o 68.88013 17.04083 438.0517       199.3404 402.3885       243.5562 510.4171       346.9402 66.23433 19.91658 74.49059 23.99419 -8.256256      31.18319 
1 1 1 21  1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  1  5  o 204.4136 5.608449 3584.176       195.7738 3804.497       274.1089 3354.762       279.7079 210.1911 7.636719 197.2244 8.305048 12.96671       11.28243 
1 1 1 21  1  6  o 100.0699 5.528630 861.6524       94.10989 834.5453       127.9501 893.6008       138.9070 98.12171 7.697905 101.4786 8.082843 -3.356873      11.16199 
1 1 1 21  1  7  o 141.7697 4.659928 1722.312       112.8144 1731.698       174.8666 1715.620       147.6512 141.6105 7.255554 141.3091 6.118783 0.3013916      9.491183 
1 1 1 21  1  8  o 85.55927 5.184746 630.5786       75.39488 557.2992       113.1127 689.1642       101.1383 79.81488 8.426373 89.20918 6.687690 -9.394302      10.75774 
1 1 1 21  1  9  o 79.79118 5.852307 550.8377       79.18519 396.5913       120.2110 669.0682       105.2449 66.41508 10.98314 87.73055 7.085499 -21.31547      13.07034 
1 1 1 21  1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  1  11 o 119.8315 5.104248 1235.838       104.4491 1093.630       155.8871 1351.693       140.7038 111.7397 8.227474 124.8170 6.625035 -13.07729      10.56326 
1 1 1 21  1  12 o 12.64879 6.304656 -140.0998      54.61610 -98.97918      75.12917 -186.1868      79.53680 18.04862 8.630427 15.70043 7.789303 2.348193       11.62573 
1 1 1 21  1  13 o 152.8846 5.645322 2020.960       147.3854 1932.966       169.2740 2296.732       299.6669 149.1603 6.645615 159.8591 11.04514 -10.69882      12.89028 
1 1 1 21  1  14 o 42.76027 8.966962 167.4901       63.38544 170.5099       91.00633 164.6449       88.33448 42.62606 11.99605 41.93130 11.82501 0.6947594      16.84447 
1 1 1 21  1  15 o 134.5408 4.981449 1566.307       114.4489 1572.935       154.7143 1558.296       170.0860 133.9083 6.788017 132.8787 7.526602 1.029587       10.13543 
1 1 1 21  1  16 o 23.03525 9.376602 22.35443       57.96044 -33.24886      82.92155 75.47276       81.04745 22.54019 10.16798 31.16448 11.51421 -8.624289      15.36115 
1 1 1 21  1  17 o 97.18001 5.653229 826.2136       93.41032 828.2985       133.5123 824.2146       130.7357 96.03919 8.220078 95.89149 8.058569 0.1476974      11.51131 
1 1 1 21  2  0  o 81.73606 5.826475 575.8906       80.79208 570.1891       104.9039 584.2021       126.6613 81.04582 7.671099 81.74814 9.235202 -0.7023163     12.00561 
1 1 1 21  2  1  o 266.2833 6.043206 6084.913       274.7978 6251.021       395.8996 5930.479       381.7330 269.1949 8.612246 262.2292 8.524655 6.965698       12.11778 
1 1 1 21  2  2  o 221.4633 5.456709 4205.519       206.3642 4032.919       291.5886 4378.722       292.0983 216.3713 7.891672 225.5329 7.584329 -9.161621      10.94534 
1 1 1 21  2  3  o 170.2005 12.69069 2544.524       366.1971 2774.834       514.7858 2308.591       521.0323 175.6929 17.38635 159.0406 19.59939 16.65230       26.19964 
1 1 1 21  2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  2  5  o 208.5409 4.608337 3725.028       164.1109 3501.397       273.8025 3850.413       205.0190 201.5545 7.955049 211.8502 5.667132 -10.29567      9.767251 
1 1 1 21  2  6  o 266.5730 5.235715 6093.460       238.3384 6164.578       403.8986 6055.467       295.2166 267.0641 8.856354 265.4303 6.513109 1.633789       10.99343 
1 1 1 21  2  7  o 111.6917 4.834570 1069.477       92.21059 968.4018       137.3580 1152.398       124.4120 105.6920 7.662486 115.6057 6.326025 -9.913696      9.936412 
1 1 1 21  2  8  o 117.2850 5.060429 1180.605       101.3518 1051.749       142.9591 1310.819       143.7101 110.0787 7.652703 123.1319 6.861902 -13.05315      10.27860 
1 1 1 21  2  9  o 119.2557 5.179514 1222.254       105.4800 1313.790       165.4205 1159.535       136.9287 122.8631 7.926643 115.6504 6.965892 7.212654       10.55250 
1 1 1 21  2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  2  11 o 108.3439 6.546709 1019.300       120.5549 1020.589       143.2142 1016.165       223.3240 108.0324 7.815784 105.8527 12.60238 2.179665       14.82924 
1 1 1 21  2  12 o 70.83892 6.294837 437.8317       75.35453 466.8274       111.0614 413.0963       102.5782 72.32433 9.200717 68.01853 9.056401 4.305794       12.91014 
1 1 1 21  2  13 o 29.71015 10.12462 73.56003       61.54141 73.04863       88.46720 74.03955       85.66578 31.94186 11.98430 31.79126 11.81943 0.1506081      16.83218 
1 1 1 21  2  14 o 60.94997 7.286137 329.4484       74.33230 229.1156       101.5329 445.3367       109.1202 49.17730 12.15898 70.24191 9.327872 -21.06462      15.32481 
1 1 1 21  2  15 o 40.95720 9.276578 155.4605       63.37585 240.5188       93.14909 82.15194       86.47638 50.51989 11.10040 32.35516 11.90399 18.16473       16.27648 
1 1 1 21  2  16 o 95.09378 5.226965 786.9323       84.55389 817.0395       119.1103 756.3483       120.0498 96.04770 7.317114 92.21802 7.693552 3.829681       10.61748 
1 1 1 21  2  17 o 22.29830 9.968064 -22.69255      77.71537 616.5024       364.2633 -53.17492      79.54686 69.20279 24.56647 20.76011 9.587409 48.44267       26.37100 
1 1 1 21  3  0  o 138.9396 4.974180 1653.894       118.0184 1714.083       157.0589 1575.830       178.8657 141.2736 6.510279 135.0684 7.787834 6.205170       10.15057 
1 1 1 21  3  1  o 307.0438 6.516988 8098.226       341.7033 8159.012       481.2948 8036.445       485.2119 307.2899 9.171934 304.9149 9.318603 2.374969       13.07520 
1 1 1 21  3  2  o 48.91249 16.12328 204.6826       156.2132 304.0895       221.1599 105.7080       220.6784 58.77821 19.17517 46.12088 18.46496 12.65733       26.62033 
1 1 1 21  3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  3  5  o 109.5165 5.088648 1028.169       95.16650 1272.261       140.8230 822.9936       129.1101 121.4454 6.817901 97.41241 7.827563 24.03297       10.38049 
1 1 1 21  3  6  o 80.47312 5.854445 558.8743       79.90090 740.7897       112.6809 374.9037       113.3156 92.48914 7.190936 64.88626 10.59221 27.60287       12.80252 
1 1 1 21  3  7  o 136.6735 4.884224 1601.924       113.9939 1647.897       168.3718 1563.017       154.8938 138.0937 7.164539 134.7390 6.731918 3.354675       9.831039 
1 1 1 21  3  8  o 57.28656 8.193941 289.7519       77.87454 322.6563       120.4380 266.1114       102.0858 59.49924 12.26141 54.11171 11.40717 5.387539       16.74711 
1 1 1 21  3  9  o 199.2964 4.846036 3411.834       164.9256 3566.361       275.2967 3325.327       205.9802 202.7315 7.952027 196.3963 6.141722 6.335175       10.04766 
1 1 1 21  3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  3  11 o 113.4315 4.925434 1107.381       95.40695 1062.601       146.5384 1140.330       125.6981 110.1861 7.839073 114.6088 6.448777 -4.422714      10.15075 
1 1 1 21  3  12 o 21.23078 9.015246 3.591100       56.91803 -54.98111      86.19836 48.87315       75.79075 22.05197 10.10931 28.32750 10.97792 -6.275524      14.92357 
1 1 1 21  3  13 o 141.4835 4.676035 1724.957       112.9758 1869.666       180.8072 1632.272       144.7013 146.3680 7.233822 137.1626 6.177812 9.205368       9.512810 
1 1 1 21  3  14 o 25.76757 9.876385 42.98691       60.85498 14.09644       85.45693 72.71024       86.67997 26.27825 11.09618 31.54824 11.85753 -5.269993      16.23965 
1 1 1 21  3  15 o 23.28613 9.704234 15.34866       64.04832 -52.45256      83.64727 111.4331       99.57709 21.56856 9.913798 36.10001 12.84130 -14.53144      16.22290 
1 1 1 21  3  16 o 76.96844 5.833305 519.1694       76.10078 449.4590       113.0925 576.8547       102.8769 69.99792 9.723860 80.46825 7.575901 -10.47032      12.32671 
1 1 1 21  3  17 o 64.77399 7.122442 374.8752       77.48158 242.9938       122.4460 462.9474       100.0627 49.24321 13.93457 71.49782 8.352992 -22.25460      16.24637 
1 1 1 21  4  0  o 108.1925 4.656451 1002.574       86.03087 892.6556       127.4806 1094.500       116.5808 101.5865 7.399498 112.7597 6.076833 -11.17323      9.574991 
1 1 1 21  4  1  o 72.44873 5.552945 452.8034       68.17697 402.6747       94.09305 508.2092       98.92168 67.84135 8.294732 76.44364 7.681852 -8.602287      11.30546 
1 1 1 21  4  2  o 32.83654 15.78013 -357.7170      258.1992 -357.7170      258.1992 0.000000       0.000000 32.83654 15.78013 ?        ?        0.000000       15.78013 
1 1 1 21  4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4  4  f 103.3973 5.396307 919.3361       94.95096 927.4629       130.7599 910.2709       138.1026 103.5265 7.446151 102.4608 7.955378 1.065720       10.89648 
1 1 1 21  4  5  o 192.1475 4.742613 3163.677       155.6160 2935.558       245.6283 3316.631       201.1303 184.5317 7.794808 196.5285 5.993078 -11.99683      9.832396 
1 1 1 21  4  6  o 81.74991 6.008504 577.2057       83.29166 519.9064       110.3371 653.1141       126.9964 77.09976 8.522962 86.47440 8.719064 -9.374641      12.19274 
1 1 1 21  4  7  o 82.40281 6.224103 587.4745       86.93711 625.7867       136.0335 561.0230       113.0323 84.32359 9.619164 80.08275 8.389924 4.240837       12.76398 
1 1 1 21  4  8  o 32.96586 12.59592 69.28789       98.79025 12.74699       110.0140 304.7460       224.5037 29.80917 12.58870 57.98123 19.33928 -28.17205      23.07560 
1 1 1 21  4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4  10 o 20.42454 9.143043 -26.45661      65.62442 83.94287       90.16184 -150.8335      95.69940 33.39925 12.17509 19.42642 9.402347 13.97283       15.38301 
1 1 1 21  4  11 o 20.08162 8.771362 -9.672600      56.90873 113.7197       86.47144 -103.9511      75.58488 36.22382 11.99850 17.91458 8.590163 18.30924       14.75652 
1 1 1 21  4  12 o 74.34114 5.807883 480.9237       73.14531 415.3628       113.5081 527.4824       95.65435 67.74412 10.12234 77.46485 7.317673 -9.720734      12.49040 
1 1 1 21  4  13 o 27.98426 9.826452 62.99651       58.14018 77.80040       88.40614 51.71416       77.17810 32.30129 12.00739 28.63545 11.08334 3.665844       16.34068 
1 1 1 21  4  14 f 101.6537 4.947888 893.7346       85.89050 909.4767       134.7942 882.9739       111.4447 101.2925 7.854179 100.3649 6.538126 0.9276505      10.21936 
1 1 1 21  4  15 o 98.58060 5.043464 844.2288       84.61858 744.8038       130.4552 916.4437       111.1801 91.15428 8.477911 102.1949 6.403159 -11.04064      10.62428 
1 1 1 21  4  16 o 40.49675 9.084522 152.7519       61.27706 165.9178       91.66442 142.1147       82.39287 41.55687 12.14980 38.71692 11.57095 2.839958       16.77810 
1 1 1 21  4  17 o 95.40462 6.713534 805.6683       108.6789 732.3965       128.6738 988.0217       202.9920 90.00589 8.471447 102.0938 11.86459 -12.08788      14.57854 
1 1 1 21  5  0  o 239.8887 5.023621 4932.159       205.7920 4864.356       338.8895 4971.767       259.0183 237.4417 8.357942 240.5886 6.304541 -3.146942      10.46912 
1 1 1 21  5  1  o 29.05691 14.19006 -414.9916      231.5853 0.000000       0.000000 -414.9916      231.5853 ?        ?        29.05691 14.19006 0.000000       14.19006 
1 1 1 21  5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5  3  o 89.70534 6.023357 693.9479       91.73435 784.2391       119.1612 562.5873       143.7292 95.16228 7.390751 79.77226 10.83099 15.39002       13.11235 
1 1 1 21  5  4  o 145.0350 4.779463 1802.627       118.3733 1664.970       175.9252 1916.510       160.0139 138.8315 7.447763 149.3491 6.274126 -10.51756      9.738266 
1 1 1 21  5  5  o 157.7480 4.635217 2132.369       124.8636 1829.020       190.8449 2359.412       165.1060 145.4381 7.711787 165.7601 5.832854 -20.32199      9.669222 
1 1 1 21  5  6  o 139.7519 5.092603 1675.860       121.5344 1711.355       188.9885 1650.830       158.7025 140.5207 7.907919 138.4524 6.712457 2.068344       10.37267 
1 1 1 21  5  7  o 39.58818 12.97995 134.5753       101.2912 123.7687       113.6911 176.1676       223.0433 39.21503 13.74273 49.68373 18.93999 -10.46870      23.40055 
1 1 1 21  5  8  o 96.61506 5.582064 806.1447       91.70382 757.7800       133.5659 849.2747       126.1308 92.96082 8.508199 98.72307 7.538694 -5.762245      11.36756 
1 1 1 21  5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  5  10 o 43.79202 9.544938 174.8218       69.36369 159.8889       97.83537 189.9144       98.35684 41.87417 12.63012 45.27188 12.37067 -3.397705      17.67918 
1 1 1 21  5  11 o 29.48454 10.24340 70.50009       63.09843 3.656608       89.78942 135.7168       88.69006 26.28751 11.24648 38.76852 12.08838 -12.48101      16.51097 
1 1 1 21  5  12 o 114.7333 4.656606 1134.172       91.23488 1146.627       147.8456 1126.513       115.9439 114.2669 7.620512 113.8621 5.984010 0.4047928      9.689199 
1 1 1 21  5  13 o 54.83888 6.895111 266.5569       63.14259 233.0829       98.65627 289.7833       82.17912 49.66316 11.80621 56.60662 8.786278 -6.943462      14.71683 
1 1 1 21  5  14 o 134.4766 4.509651 1561.742       103.5599 1444.342       169.5455 1631.609       130.7940 127.6707 7.814268 137.0365 5.589201 -9.365768      9.607390 
1 1 1 21  5  15 o 31.70557 10.75402 87.67513       69.42756 107.7513       108.5234 73.76554       90.33163 36.14511 13.32979 31.72134 12.06263 4.423779       17.97750 
1 1 1 21  5  16 o 99.41500 5.096270 861.1213       86.22712 721.3950       133.5323 961.0544       112.9281 89.14907 8.889935 104.4669 6.360551 -15.31778      10.93104 
1 1 1 21  6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  6  2  o 126.0781 5.100980 1362.736       109.8235 1284.097       152.6331 1447.154       158.1410 121.9021 7.366832 129.4734 7.180711 -7.571342      10.28751 
1 1 1 21  6  3  o 78.05676 6.261062 526.8589       82.75416 454.3882       106.9702 634.8821       130.5990 71.96248 8.894020 85.18764 9.119276 -13.22517      12.73832 
1 1 1 21  6  4  o 218.0959 4.890278 4077.752       182.1306 3990.528       294.4011 4131.833       231.8161 215.0204 8.017847 219.2712 6.190990 -4.250748      10.12987 
1 1 1 21  6  5  o 143.6569 6.163687 1774.808       151.2060 1826.165       193.9862 1695.296       241.3726 145.1921 7.853145 139.1778 10.22748 6.014267       12.89470 
1 1 1 21  6  6  o 63.89341 7.919661 358.4987       84.55805 345.9440       117.6756 371.9018       121.5865 61.82892 11.57063 64.17719 11.51761 -2.348263      16.32589 
1 1 1 21  6  7  o 45.10183 9.492496 184.0499       70.79639 288.5940       100.9095 82.71004       99.35109 56.40749 10.87014 34.19180 12.72526 22.21569       16.73595 
1 1 1 21  6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  6  9  o 62.46164 7.114816 342.6543       74.53482 351.8824       107.5739 334.1337       103.3682 62.35056 10.47477 60.76745 10.33106 1.583111       14.71229 
1 1 1 21  6  10 o 129.5390 4.576411 1443.698       101.2342 1586.423       165.0540 1357.629       128.1740 134.8615 7.192959 125.2799 5.991238 9.581596       9.361281 
1 1 1 21  6  11 o 32.59569 10.16474 94.49912       62.70736 35.74984       90.08696 149.7203       87.34003 28.74803 11.69459 40.30120 11.88178 -11.55317      16.67153 
1 1 1 21  6  12 f 112.6334 4.615277 1093.880       88.77015 1027.406       143.9887 1134.636       112.7456 107.8961 7.869110 114.2507 5.797819 -6.354591      9.774334 
1 1 1 21  6  13 f 41.51633 9.234763 159.4250       63.77965 123.0697       92.85311 191.9003       87.75844 37.05788 12.43729 45.01596 11.40324 -7.958073      16.87365 
1 1 1 21  6  14 o 57.00304 7.183482 290.0060       68.37259 321.0065       101.3217 264.0867       92.64651 58.69369 10.49422 53.07450 10.59324 5.619183       14.91125 
1 1 1 21  6  15 o 121.2704 4.595839 1272.991       95.17473 1051.639       154.2699 1409.011       120.9316 108.2283 8.413272 127.1811 5.568205 -18.95282      10.08901 
1 1 1 21  6  16 o 49.23294 7.894226 220.9109       64.12663 216.2874       98.73648 224.2839       84.33441 46.99178 12.19761 48.56216 10.47723 -1.570374      16.07961 
1 1 1 21  7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  7  1  o 149.8744 6.013261 1929.171       153.9003 1912.009       191.6427 1960.340       258.2652 148.7659 7.568725 149.9485 10.14577 -1.182648      12.65789 
1 1 1 21  7  2  o 99.98602 5.791711 861.2272       98.46549 750.3432       124.7286 1044.631       160.4116 92.92561 7.936215 109.5972 8.641150 -16.67162      11.73256 
1 1 1 21  7  3  o 136.5574 5.359104 1600.209       124.9710 1687.834       170.0564 1497.325       184.2695 139.7972 7.147379 131.3956 8.254353 8.401566       10.91876 
1 1 1 21  7  4  o 162.5125 6.014143 2270.943       166.9023 2333.981       218.0420 2181.742       259.3729 164.3672 7.768248 158.1387 9.650907 6.228439       12.38893 
1 1 1 21  7  5  o 95.61818 5.657588 788.8902       91.96806 835.6376       134.2481 747.5499       126.2455 97.89611 8.103318 92.56604 8.067249 5.330070       11.43435 
1 1 1 21  7  6  o 81.70380 5.965326 578.1929       82.65448 654.0480       121.8866 513.6132       112.4634 86.36125 8.369905 76.32774 8.788835 10.03351       12.13668 
1 1 1 21  7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  7  8  o 39.06875 10.38548 139.5567       70.47887 185.9655       97.29651 88.32149       102.2308 44.85719 12.32307 34.78189 12.91558 10.07531       17.85133 
1 1 1 21  7  9  o 50.01406 7.993672 223.5293       65.97263 281.0799       98.46404 176.6469       88.87054 55.36887 10.80168 43.65488 11.68856 11.71399       15.91537 
1 1 1 21  7  10 o 37.95015 9.518235 132.2621       61.57529 192.3592       92.40557 84.26418       82.58144 45.37532 11.81082 32.60445 11.68393 12.77087       16.61354 
1 1 1 21  7  11 o 93.03892 5.188532 750.2615       82.10668 608.5627       125.2206 857.1298       108.7470 82.48873 9.037469 99.06944 6.463407 -16.58071      11.11087 
1 1 1 21  7  12 o 43.27916 8.493324 171.0946       60.52936 258.1945       93.84784 109.0532       79.20567 52.58112 10.81289 34.95030 11.47888 17.63082       15.76970 
1 1 1 21  7  13 o 112.5727 4.777027 1096.534       91.83167 939.2477       144.4948 1203.109       118.9420 102.5194 8.325531 117.3463 5.955111 -14.82687      10.23610 
1 1 1 21  7  14 o 117.2553 4.609831 1189.593       92.30373 1177.994       150.4212 1196.598       116.9009 115.1066 7.696926 117.1321 5.844398 -2.025551      9.664350 
1 1 1 21  7  15 o 64.86000 6.515560 373.4305       71.18987 223.6964       106.3674 494.9239       95.81304 47.60111 12.80545 74.24547 7.667471 -26.64436      14.92547 
1 1 1 21  8  0  o 59.38939 8.594418 311.0536       84.62780 253.4977       93.24947 579.8385       201.5133 53.06572 10.66041 79.58305 15.38455 -26.51734      18.71707 
1 1 1 21  8  1  o 127.7035 6.029687 1401.306       131.4920 1275.014       152.5269 1766.804       259.4791 121.4020 7.392515 142.0284 10.77896 -20.62632      13.07039 
1 1 1 21  8  2  o 93.97953 7.762346 767.6113       123.4593 816.0841       144.1858 634.4247       239.0030 96.67809 8.831088 82.48667 17.50904 14.19142       19.61006 
1 1 1 21  8  3  o 128.3548 5.425142 1415.245       118.9118 1525.089       167.7803 1304.383       168.5558 132.6902 7.434508 122.5133 8.102477 10.17690       10.99646 
1 1 1 21  8  4  o 179.6178 4.957982 2770.542       152.0744 2873.017       237.0925 2698.914       198.2214 182.2001 7.620214 176.9004 6.561749 5.299698       10.05605 
1 1 1 21  8  5  o 86.77932 5.987665 652.1853       88.18818 636.6212       124.7911 667.7125       124.6428 85.06675 8.713534 87.20539 8.477070 -2.138641      12.15674 
1 1 1 21  8  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  8  7  o 26.61852 10.25166 43.21525       65.77476 158.8535       92.50193 -75.04812      93.54597 41.67246 12.21135 22.21569 10.30777 19.45677       15.98021 
1 1 1 21  8  8  o 36.32708 10.19928 120.3487       65.86680 103.6509       92.16601 137.7789       94.16560 35.42133 12.37580 39.20687 12.48697 -3.785545      17.58081 
1 1 1 21  8  9  o 52.98242 7.518473 249.6684       66.11594 260.2379       98.80872 241.0995       88.96779 52.95874 11.27183 51.15451 10.53547 1.804226       15.42888 
1 1 1 21  8  10 o 93.81715 5.259380 763.0951       83.91981 754.9704       127.0027 769.3918       111.8056 92.35071 8.136356 93.64707 7.043031 -1.296364      10.76125 
1 1 1 21  8  11 o 37.29296 10.14589 129.2177       66.33073 109.4504       91.03284 151.5915       96.84867 35.57763 12.30686 40.36430 12.63972 -4.786667      17.64146 
1 1 1 21  8  12 o 126.1837 4.681183 1376.917       100.8697 1355.323       160.4863 1391.018       129.6878 123.6874 7.635534 126.3102 6.012551 -2.622757      9.718650 
1 1 1 21  8  13 o 86.42455 5.223196 650.8771       76.72379 636.9611       122.6451 659.8247       98.34321 84.03278 8.671354 86.45731 6.713671 -2.424530      10.96657 
1 1 1 21  8  14 o 89.62067 5.465842 702.4879       83.25038 566.6785       124.6485 811.8507       111.8554 78.58511 9.479930 95.71690 6.889391 -17.13178      11.71891 
1 1 1 21  9  0  o 81.60255 7.100828 578.2338       97.96339 489.6300       107.9656 991.0591       233.0464 74.72585 8.618852 105.2449 13.26143 -30.51903      15.81614 
1 1 1 21  9  1  o 116.5467 6.718935 1174.409       133.1550 1185.052       157.9499 1148.267       247.5545 116.7823 7.967852 113.3241 13.02931 3.458237       15.27251 
1 1 1 21  9  2  o 155.4951 5.969333 2081.226       158.5055 2302.333       204.0451 1744.767       251.7050 163.2153 7.320883 140.8112 10.54428 22.40402       12.83656 
1 1 1 21  9  3  f 32.13355 11.01436 84.17265       72.83718 199.7341       94.80565 -82.29680      113.7876 46.64941 11.87150 24.92853 11.49639 21.72089       16.52572 
1 1 1 21  9  4  o 85.10439 6.274639 628.6973       90.54588 643.5434       123.6505 611.5321       132.9579 85.51250 8.583510 83.04362 9.549585 2.468880       12.84022 
1 1 1 21  9  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  9  6  o 113.8984 5.256101 1118.070       102.2312 953.8736       146.0167 1275.945       143.1785 104.1847 8.275391 121.0627 6.954940 -16.87801      10.80987 
1 1 1 21  9  7  o 142.7221 4.801589 1754.417       117.0248 2019.046       183.8665 1574.224       151.7233 152.3401 7.067836 134.6773 6.597140 17.66275       9.668327 
1 1 1 21  9  8  o 37.54496 10.18958 129.7600       66.99934 56.39106       91.47469 214.6715       98.40747 30.65126 12.00958 47.81714 12.05480 -17.16588      17.01611 
1 1 1 21  9  9  o 83.19879 5.690178 602.4343       80.35823 665.9785       118.3636 548.1036       109.4468 86.68770 8.089199 78.50311 8.289582 8.184593       11.58241 
1 1 1 21  9  10 o 108.5551 4.892557 1018.774       90.69600 797.7925       138.6324 1184.126       119.9199 94.46243 8.691666 116.5064 6.048337 -22.04395      10.58902 
1 1 1 21  9  11 o 138.1717 4.652374 1650.950       109.7730 1698.223       175.6906 1620.678       140.5945 138.5924 7.450822 136.3099 6.040029 2.282486       9.591492 
1 1 1 21  9  12 o 66.78567 6.669429 395.0986       75.04588 385.5633       107.5191 404.1569       104.7951 64.52938 10.08747 66.36544 9.519535 -1.836060      13.87006 
1 1 1 21  9  13 o 63.99165 6.665439 363.9768       71.76835 211.6404       105.4174 495.5807       97.98164 46.36398 12.86282 74.24568 7.846982 -27.88170      15.06742 
1 1 1 21  9  14 o 24.25255 9.565941 34.92758       58.38974 -69.08817      89.46530 112.1098       77.06614 21.37411 9.971782 34.72108 11.31888 -13.34697      15.08487 
1 1 1 21  10 0  o 45.86349 12.29145 192.4757       98.21993 251.0109       118.0284 60.64651       177.1267 52.15900 13.23085 39.57939 16.28301 12.57961       20.98075 
1 1 1 21  10 1  o 61.23778 8.841994 333.0170       89.78539 303.4019       106.3385 406.5556       167.5680 57.76967 11.18342 65.83746 15.21046 -8.067783      18.87927 
1 1 1 21  10 2  f 65.26657 8.181526 376.1822       89.18199 361.7318       108.8130 405.7513       155.6536 63.34639 10.42156 65.89595 14.24742 -2.549557      17.65214 
1 1 1 21  10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  10 5  o 170.8334 4.908678 2513.796       143.1988 2395.984       217.4489 2604.012       190.2858 165.7355 7.683158 173.3309 6.428776 -7.595474      10.01799 
1 1 1 21  10 6  o 64.41341 7.116970 365.5612       76.97644 430.5927       105.3147 290.9678       112.7918 69.33455 9.115785 55.77301 12.18360 13.56154       15.21636 
1 1 1 21  10 7  o 48.51159 8.825736 213.5731       70.42018 181.8452       96.09894 250.3690       103.4896 44.01853 12.30577 51.61662 11.97302 -7.598095      17.16931 
1 1 1 21  10 8  o 122.3452 4.858514 1292.525       101.5062 1400.692       156.1829 1213.424       133.5601 126.2943 7.272562 117.7855 6.667587 8.508728       9.866452 
1 1 1 21  10 9  o 85.84440 5.575686 642.3820       81.29297 538.3111       118.9318 733.6421       111.3714 77.17664 9.205909 91.15462 7.213657 -13.97799      11.69554 
1 1 1 21  10 10 o 42.25026 9.519356 166.5226       67.03417 170.2497       93.68132 162.6118       95.96106 42.16870 12.26960 41.29892 12.52022 0.8697853      17.52994 
1 1 1 21  10 11 o 74.35003 5.777536 484.9101       72.77825 489.3118       111.8942 481.6826       95.81448 73.27020 9.141795 73.32544 7.770398 -0.5524445E-01 11.99798 
1 1 1 21  10 12 o 44.77853 8.982960 186.5168       66.30032 256.7148       97.04503 125.0729       90.79257 51.69036 11.30862 36.73849 12.29867 14.95187       16.70755 
1 1 1 21  10 13 o 36.79877 10.96726 129.3133       74.09571 31.99621       113.3440 201.9393       97.91527 30.14440 12.75662 45.22046 12.33717 -15.07606      17.74647 
1 1 1 21  11 0  o 121.9455 6.158312 1287.743       127.8269 1210.065       154.8536 1453.876       226.4638 117.7193 7.746480 127.9630 10.45498 -10.24369      13.01209 
1 1 1 21  11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  11 3  o 119.1694 5.796844 1227.637       117.9664 1175.480       151.7868 1307.194       187.4647 115.8232 7.718463 121.5763 9.095502 -5.753067      11.92908 
1 1 1 21  11 4  o 152.6777 5.509955 2014.685       143.6566 1886.574       190.6314 2183.050       218.5381 146.7464 7.633554 157.6096 8.147601 -10.86320      11.16488 
1 1 1 21  11 5  f 55.36931 8.314113 275.0050       76.18327 422.2008       100.3745 74.98686       117.0067 68.68562 8.756901 34.54603 13.56832 34.13959       16.14877 
1 1 1 21  11 6  o 19.80150 8.930432 -29.01114      63.92104 -59.88306      80.97634 22.03132       104.1219 20.84972 9.644360 29.21586 12.28759 -8.366142      15.62045 
1 1 1 21  11 7  o 32.35405 10.54987 92.62888       66.94850 200.5018       88.83634 -49.16782      101.8515 46.07979 11.36144 24.47047 11.13021 21.60931       15.90484 
1 1 1 21  11 8  o 24.00503 9.806440 23.63883       63.68292 13.43888       84.15880 37.30367       97.40984 25.92242 10.98233 29.34145 12.07363 -3.419027      16.32127 
1 1 1 21  11 9  f 39.21740 10.64278 145.5742       73.09444 217.7131       109.5896 87.76443       98.10374 47.15651 13.12637 33.55219 12.61393 13.60432       18.20475 
1 1 1 21  11 10 o 46.26813 9.641085 200.3288       73.70329 505.5670       114.3280 -16.73701      96.41156 74.40268 9.193937 25.32404 11.22456 49.07864       14.50928 
1 1 1 21  11 11 o 63.30688 7.993704 363.0654       84.49109 319.6015       121.7947 403.3863       117.3085 56.90650 12.83865 65.27380 10.90920 -8.367294      16.84760 
1 1 1 21  11 12 o 59.24218 8.146166 320.3050       80.23067 365.6651       122.2485 285.9855       106.3352 61.17489 12.13071 54.09203 11.84030 7.082859       16.95131 
1 1 1 21  12 0  o 26.30174 10.69701 28.16611       75.35149 23.88445       87.45805 40.49986       148.4368 27.51829 11.39308 35.24417 14.73770 -7.725889      18.62799 
1 1 1 21  12 1  o 46.32785 10.68024 198.5638       82.76352 170.9502       93.96590 294.1030       174.7831 42.88668 12.23177 55.11274 16.93477 -12.22606      20.89025 
1 1 1 21  12 2  o 148.9557 5.509637 1918.768       140.1465 1776.501       184.5996 2112.332       215.3226 142.3174 7.623451 154.9213 8.167969 -12.60387      11.17286 
1 1 1 21  12 3  o 51.12452 9.447166 238.6173       79.43887 277.1834       96.25508 156.2439       140.6741 54.76873 10.67537 42.58155 15.25051 12.18718       18.61562 
1 1 1 21  12 4  o 111.3420 5.850563 1078.590       110.8494 1071.298       142.6552 1089.704       176.1064 110.2536 7.623736 110.2984 9.440810 -0.4479980E-01 12.13467 
1 1 1 21  12 5  o 92.30684 6.017897 744.0814       94.34060 820.2426       125.3299 644.5071       143.3051 96.27518 7.687321 84.14664 10.17997 12.12853       12.75643 
1 1 1 21  12 6  o 41.20392 10.14264 159.1806       70.88622 77.65192       91.40361 282.2134       112.2841 32.25173 12.16513 54.21493 12.39782 -21.96320      17.36941 
1 1 1 21  12 7  o 22.93731 9.689906 10.30731       65.21691 0.5006408      83.89800 25.28064       103.6693 24.84962 10.75342 29.02524 12.23694 -4.175623      16.29045 
1 1 1 21  12 8  o 49.72355 8.674316 227.2440       70.97569 168.8512       96.34007 296.5574       104.9630 41.79924 12.51654 55.70967 11.41689 -13.91043      16.94135 
1 1 1 21  12 9  o 52.86837 8.725087 256.9853       76.02307 299.3068       99.71442 198.2366       117.4833 56.18597 10.78485 44.74632 13.90648 11.43966       17.59839 
1 1 1 21  12 10 o 39.90568 10.29704 152.5209       70.63879 173.3546       94.51235 126.1543       106.3243 42.00294 12.35336 37.19756 13.26523 4.805374       18.12655 
1 1 1 21  13 0  o 47.39326 10.01119 207.3874       78.48277 227.8335       92.28590 153.9588       149.1821 49.35776 11.20520 42.73811 15.64856 6.619644       19.24666 
1 1 1 21  13 1  o 61.87204 7.971713 341.8777       82.26726 318.5953       99.65379 391.6956       145.7716 58.86329 10.28852 63.84843 13.77418 -4.985146      17.19249 
1 1 1 21  13 2  o 38.73701 10.83064 139.8888       74.43562 115.7554       88.65124 197.5647       137.0482 36.16572 12.15255 45.75236 15.10286 -9.586639      19.38507 
1 1 1 21  13 3  o 74.37410 8.163607 494.5306       101.9775 435.3874       124.6042 614.4993       177.4657 68.49059 11.02807 80.21917 13.42962 -11.72858      17.37737 
1 1 1 21  13 4  o 37.83403 10.88959 134.3692       74.15283 98.86784       88.67467 216.9257       135.2236 34.13490 12.12055 47.06944 14.96073 -12.93455      19.25438 
1 1 1 21  13 5  o 40.00921 10.73998 151.9571       74.91689 85.33063       90.05209 301.7238       135.0138 32.72176 12.12756 54.92766 14.26636 -22.20591      18.72449 
1 1 1 21  13 6  o 46.46197 9.556156 201.9811       73.28886 213.0747       94.45251 185.1961       116.1813 46.88866 11.80423 43.51521 13.87124 3.373444       18.21404 
1 1 1 21  13 7  o 22.11058 9.623168 -3.679610      67.96152 103.9041       83.02253 -222.1978      118.3223 34.09180 11.75520 20.02222 9.851959 14.06958       15.33773 
1 1 1 21  13 8  o 27.02951 10.35687 51.57859       66.90729 81.48099       87.41228 9.275515       103.9694 31.86673 11.92115 27.68327 11.97524 4.183466       16.89734 
1 1 1 21  13 9  o 35.60029 11.19040 120.7363       75.83121 98.87068       111.0807 139.8202       103.7748 34.82103 13.34419 38.28183 13.14578 -3.460800      18.73176 
1 1 1 21  14 0  o 68.89574 8.346642 426.5374       96.19495 496.3347       138.1223 360.7956       134.0495 72.89635 11.47509 61.09164 13.23220 11.80471       17.51481 
1 1 1 21  14 1  o 54.21266 8.512597 267.2755       76.21062 276.6137       95.75304 251.1364       125.8811 54.28315 10.71004 50.42707 14.07944 3.856079       17.68999 
1 1 1 21  14 2  o 65.03553 7.814126 379.9490       85.04539 468.8103       103.7113 197.5328       148.5941 71.96960 8.609592 45.27031 15.71986 26.69930       17.92314 
1 1 1 21  14 3  f 34.19046 10.75927 108.2439       70.07870 104.3641       87.33900 115.2565       117.4204 34.41261 12.04601 37.04069 13.82454 -2.628078      18.33642 
1 1 1 21  14 4  o 24.59715 10.20648 21.92814       70.41490 -42.55566      83.40535 181.9363       131.3831 21.90477 10.00523 43.22278 14.79298 -21.31801      17.85880 
1 1 1 21  14 5  o 67.00627 8.101888 406.9486       90.82220 425.5461       106.4535 357.2014       174.1077 67.86514 9.441433 57.80724 16.70006 10.05791       19.18417 
1 1 1 21  14 6  f 45.01234 10.40183 194.2118       78.34966 133.5765       94.26316 329.7187       140.9158 37.53468 12.53169 56.57115 14.51513 -19.03647      19.17635 
1 1 1 21  14 7  o 33.32638 11.99722 97.90186       87.16343 89.42114       108.8600 113.0515       145.4967 33.83185 13.14393 37.72208 15.02986 -3.890232      19.96646 
1 1 1 21  15 0  f 68.86047 7.756788 427.1761       89.62379 519.2722       117.0387 296.6072       139.3570 75.18042 9.315917 53.82294 14.73234 21.35748       17.43067 
1 1 1 21  15 1  o 25.90760 11.16445 7.527925       89.67511 76.77918       112.5466 -112.8782      148.4031 33.36203 13.24210 26.88866 12.64025 6.473368       18.30653 
1 1 1 21  15 2  o 19.66179 9.125870 -53.53905      73.41380 -51.66334      89.50039 -57.39648      128.3486 22.24076 10.23461 26.87235 12.32527 -4.631586      16.02060 
1 1 1 21  15 3  o 28.05846 10.61218 58.86123       69.67624 5.595642       85.89582 161.3426       119.1437 25.23409 10.90028 40.83660 14.08204 -15.60251      17.80786 
1 1 1 21  15 4  o 50.54012 9.315777 239.9074       77.43794 267.3471       96.45869 190.1604       129.8781 52.49842 11.10622 43.39890 14.70871 9.099522       18.43079 
1 1 1 21  15 5  o 19.96051 9.043135 -27.64444      66.41159 -34.23999      82.69636 -15.66445      111.4523 22.07717 10.03680 26.78980 11.95933 -4.712631      15.61291 
1 1 1 21  16 0  o 49.04242 11.00275 233.7093       89.87856 214.8136       122.9947 255.3621       131.6626 45.73627 14.23136 49.48725 14.58786 -3.750977      20.37983 
1 1 1 21  16 1  o 104.7967 6.018604 970.8679       107.2554 854.7236       141.7804 1126.264       163.9977 96.53744 8.693654 110.8654 8.733139 -14.32796      12.32263 
1 1 1 21  16 2  o 68.57028 7.641370 427.6501       87.95472 456.7101       116.3587 388.9122       134.3445 69.37455 10.11983 61.88177 13.12030 7.492783       16.56965 
1 1 1 21  16 3  o 91.15963 6.758518 744.1351       104.4604 684.3759       133.0726 840.0826       168.6177 85.71234 9.237620 93.74136 10.72653 -8.029022      14.15599 
1 1 1 21  17 0  o 62.01197 9.276670 362.8619       95.21775 378.3010       113.3256 325.7945       175.5957 62.14317 11.08564 53.04559 17.06837 9.097588       20.35241 
1 1 1 22  0  0  o 20.65079 12.71910 28.91723       87.42448 28.91723       87.42448 28.91723       87.42448 20.65079 12.71910 20.65079 12.71910 0.000000       0.000000 
1 1 1 22  0  1  o 41.81938 22.53599 222.3140       223.2708 222.3140       223.2708 222.3140       223.2708 41.81938 22.53599 41.81938 22.53599 0.000000       0.000000 
1 1 1 22  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  4  o 37.29327 14.85743 166.0224       91.51030 166.0224       91.51030 166.0224       91.51030 37.29327 14.85743 37.29327 14.85743 0.000000       0.000000 
1 1 1 22  0  5  f 15.55302 10.42547 -28.95694      77.43671 -28.95694      77.43671 -28.95694      77.43671 15.55302 10.42547 15.55302 10.42547 0.000000       0.000000 
1 1 1 22  0  6  o 144.1518 7.366989 1796.860       180.2667 1796.860       180.2667 1796.860       180.2667 144.1518 7.366989 144.1518 7.366989 0.000000       0.000000 
1 1 1 22  0  7  o 145.8124 7.682316 1841.789       190.0757 1841.789       190.0757 1841.789       190.0757 145.8124 7.682316 145.8124 7.682316 0.000000       0.000000 
1 1 1 22  0  8  f 304.0538 9.738132 8012.583       504.4498 8012.583       504.4498 8012.583       504.4498 304.0538 9.738132 304.0538 9.738132 0.000000       0.000000 
1 1 1 22  0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  10 o 81.24241 9.285188 592.6124       124.4675 592.6124       124.4675 592.6124       124.4675 81.24241 9.285188 81.24241 9.285188 0.000000       0.000000 
1 1 1 22  0  11 o 20.01008 12.50914 23.00580       87.74187 23.00580       87.74187 23.00580       87.74187 20.01008 12.50914 20.01008 12.50914 0.000000       0.000000 
1 1 1 22  0  12 o 42.85232 14.89840 210.5734       98.47395 210.5734       98.47395 210.5734       98.47395 42.85232 14.89840 42.85232 14.89840 0.000000       0.000000 
1 1 1 22  0  13 o 30.71662 15.98642 125.4449       109.1670 125.4449       109.1670 125.4449       109.1670 30.71662 15.98642 30.71662 15.98642 0.000000       0.000000 
1 1 1 22  0  14 o 32.37631 21.75456 -49.66774      340.9454 -49.66774      340.9454 -49.66774      340.9454 32.37631 21.75456 32.37631 21.75456 0.000000       0.000000 
1 1 1 22  0  15 o 170.0387 6.853889 2514.838       198.2807 2514.838       198.2807 2514.838       198.2807 170.0387 6.853889 170.0387 6.853889 0.000000       0.000000 
1 1 1 22  0  16 o 18.05805 11.69949 2.362937       85.38177 2.362937       85.38177 2.362937       85.38177 18.05805 11.69949 18.05805 11.69949 0.000000       0.000000 
1 1 1 22  1  0  o 74.05167 6.285616 474.2332       78.73405 294.5661       117.1595 622.1968       106.3214 57.04679 12.38202 84.70832 7.425024 -27.66153      14.43764 
1 1 1 22  1  1  o 212.5897 13.05944 3970.021       471.8036 4050.630       678.8018 3894.684       656.2327 211.5115 18.99602 207.5433 18.71741 3.968201       26.66815 
1 1 1 22  1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  1  4  o 87.42708 5.701701 658.6825       84.65807 648.0316       117.7726 670.0699       121.7770 86.31297 8.084545 87.75335 8.222293 -1.440384      11.53109 
1 1 1 22  1  5  o 167.9950 5.257236 2420.546       150.8189 2413.273       213.1812 2427.834       213.3992 167.3634 7.459103 167.8705 7.444172 -0.5071716     10.53821 
1 1 1 22  1  6  o 310.1157 6.840415 8282.924       362.2498 8348.002       512.2006 8217.797       512.3966 309.9958 9.675699 307.5243 9.757194 2.471558       13.74125 
1 1 1 22  1  7  o 255.5492 6.145273 5621.768       268.1746 5797.186       383.0876 5453.196       375.5374 258.4604 8.679648 250.6306 8.774393 7.829803       12.34205 
1 1 1 22  1  8  o 135.2136 5.124864 1571.576       118.3327 1779.635       184.4919 1426.160       154.2379 143.1272 7.575336 128.2310 7.070952 14.89616       10.36263 
1 1 1 22  1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  1  10 o 76.82560 6.559669 514.5543       85.23293 512.5241       129.6185 516.1008       113.1318 75.55711 10.31544 76.31028 8.845640 -0.7531662     13.58874 
1 1 1 22  1  11 o 25.05189 10.28585 21.68094       70.50481 -76.02106      94.16435 146.3395       106.3643 22.20911 10.31742 40.55083 13.30129 -18.34172      16.83370 
1 1 1 22  1  12 o 60.79865 10.21644 336.9378       102.3086 347.9695       108.0343 241.0620       318.4902 61.65120 10.64658 55.22054 22.15637 6.430656       24.58159 
1 1 1 22  1  13 o 29.10141 11.13685 56.81485       77.30447 32.13658       110.1773 80.74401       108.4922 30.55913 12.73087 34.15236 13.16261 -3.593233      18.31200 
1 1 1 22  1  14 o 55.03963 7.481749 271.0411       68.49784 292.7004       96.94276 249.4462       96.79856 56.09377 10.50653 51.37350 11.33760 4.720268       15.45730 
1 1 1 22  1  15 o 52.10192 12.77119 263.2744       112.7481 715.0703       365.2424 215.6873       118.5373 76.33759 24.62207 46.97385 13.84015 29.36373       28.24528 
1 1 1 22  1  16 o 75.91890 6.009450 507.1272       77.27209 398.0456       108.4877 619.4512       110.0883 65.47797 10.02134 83.12612 7.848233 -17.64816      12.72879 
1 1 1 22  2  0  o 113.2641 5.431376 1100.131       105.0520 1095.086       147.5797 1105.314       149.5722 112.4961 7.729119 113.0095 7.798298 -0.5133743     10.97965 
1 1 1 22  2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  2  3  o 191.2846 5.464124 3138.197       178.4853 3090.445       248.6376 3188.966       256.3728 189.4091 7.687128 192.3785 7.803930 -2.969452      10.95414 
1 1 1 22  2  4  o 124.6641 5.301373 1332.828       112.8578 1332.385       155.4601 1333.321       164.1003 124.1768 7.364098 124.1352 7.780596 0.4161835E-01  10.71296 
1 1 1 22  2  5  o 186.3226 4.571762 2974.545       145.4625 3011.777       240.3103 2953.015       182.7444 186.9279 7.528289 185.4553 5.770360 1.472595       9.485368 
1 1 1 22  2  6  o 147.9209 4.772471 1876.400       120.5521 1755.073       182.3577 1970.582       160.6677 142.4067 7.525517 151.3585 6.216125 -8.951813      9.760819 
1 1 1 22  2  7  o 38.50681 10.90075 133.5136       74.91722 -13.09669      114.4173 243.5408       99.11958 28.73310 12.49583 51.67176 11.52631 -22.93867      17.00005 
1 1 1 22  2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  2  10 o 51.83523 9.545057 243.2150       81.37685 168.4711       116.1560 315.2625       114.0416 43.24488 13.87869 58.47096 11.82773 -15.22608      18.23495 
1 1 1 22  2  11 o 40.85107 12.57009 152.3258       96.25967 182.6380       104.3750 -20.17645      248.9918 44.32888 12.96614 40.76134 18.05405 3.567539       22.22768 
1 1 1 22  2  12 f 104.0681 5.346559 938.3073       94.69448 1039.660       139.1044 850.7760       129.2720 108.8019 7.533261 98.28738 7.765264 10.51451       10.81893 
1 1 1 22  2  13 o 83.43213 5.862946 607.3062       83.00114 500.5371       120.5192 703.6371       114.4765 74.29649 9.733277 89.21832 7.585782 -14.92184      12.34021 
1 1 1 22  2  14 o 118.1326 5.278247 1210.254       106.4784 1102.172       164.1529 1288.762       139.9036 110.9566 8.734117 121.1174 6.791660 -10.16074      11.06397 
1 1 1 22  2  15 o 80.26555 6.173731 565.9185       83.97214 589.8592       133.1615 550.1130       108.1969 80.24664 9.929329 78.29997 8.214278 1.946663       12.88666 
1 1 1 22  2  16 o 86.99791 8.566623 684.3905       125.6173 0.000000       0.000000 684.3905       125.6173 ?        ?        86.99791 8.566623 0.000000       8.566623 
1 1 1 22  3  0  o 37.62778 16.53857 -39.68818      205.1440 -158.3546      282.2374 93.22237       298.6967 40.30686 18.40843 50.89282 21.06155 -10.58596      27.97247 
1 1 1 22  3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  3  3  o 278.7002 5.449327 6662.671       259.3475 6877.544       433.9806 6543.304       323.4594 282.0362 9.010803 275.8196 6.867405 6.216583       11.32942 
1 1 1 22  3  4  o 74.92329 5.941081 484.9900       75.38904 403.1373       107.6735 563.7048       105.5894 67.57106 9.601452 80.49853 7.778138 -12.92747      12.35667 
1 1 1 22  3  5  o 116.6803 5.238722 1168.101       104.3818 1203.228       156.4223 1139.902       140.1507 117.8208 7.818960 114.7997 7.185301 3.021103       10.61907 
1 1 1 22  3  6  o 166.7258 4.890809 2385.025       139.2469 2327.523       223.7571 2421.370       177.8901 164.0405 7.987742 167.7419 6.210238 -3.701492      10.11786 
1 1 1 22  3  7  o 89.82182 6.050941 698.0128       92.27188 575.4663       140.7781 790.3109       122.1747 80.40832 10.50354 95.26292 7.572761 -14.85460      12.94879 
1 1 1 22  3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  3  9  o 71.19337 7.371425 444.4117       88.31918 486.8496       128.9440 406.9070       121.2180 73.59464 10.56296 67.03452 10.96875 6.560120       15.22793 
1 1 1 22  3  10 o 111.8849 5.009498 1078.215       95.71227 966.2978       152.1042 1151.579       123.1502 104.7206 8.580996 115.1779 6.285049 -10.45729      10.63651 
1 1 1 22  3  11 o 41.41047 10.40831 158.3346       73.51824 49.30192       115.8266 231.8989       95.14010 32.62550 13.26489 49.94493 11.40547 -17.31942      17.49406 
1 1 1 22  3  12 o 59.26223 7.538148 311.9605       74.55940 293.1325       121.5728 323.3116       94.39600 55.52240 13.04382 59.67017 9.588644 -4.147774      16.18899 
1 1 1 22  3  13 o 54.00446 7.830694 261.7106       70.10934 239.3719       102.5322 281.3268       96.08104 50.14576 12.11019 55.01732 10.61128 -4.871559      16.10143 
1 1 1 22  3  14 o 91.78610 5.691263 735.4020       88.76479 624.1951       125.3290 847.3339       125.7368 83.18261 8.964647 97.74195 7.592790 -14.55934      11.74799 
1 1 1 22  3  15 o 45.16106 9.057090 188.8130       67.41751 134.0420       96.07311 241.9496       94.62881 38.08892 12.64860 50.38282 11.27961 -12.29390      16.94747 
1 1 1 22  3  16 o 41.47032 9.558059 161.7977       66.29880 149.7726       95.60612 172.9371       92.01810 39.58487 12.57944 42.22009 12.12445 -2.635220      17.47126 
1 1 1 22  4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  4  2  o 177.4896 4.691431 2698.944       142.1936 2675.616       225.3282 2714.381       183.3003 176.2590 7.486214 177.7987 6.037161 -1.539642      9.617209 
1 1 1 22  4  3  f 149.1122 4.795277 1905.476       122.1037 1639.783       179.1835 2135.819       166.8381 137.7280 7.648678 157.6731 6.196344 -19.94511      9.843626 
1 1 1 22  4  4  o 58.86635 8.409572 305.2309       82.13348 293.2905       111.2848 319.5167       121.7245 56.93561 11.83219 59.35711 12.40834 -2.421494      17.14548 
1 1 1 22  4  5  o 86.33275 6.270120 644.4983       91.80775 733.6799       139.8713 576.9939       121.6905 91.55013 9.065976 81.11780 8.933011 10.43233       12.72755 
1 1 1 22  4  6  o 115.2670 5.490845 1142.077       108.0802 1076.615       161.9175 1194.684       145.1504 111.0598 8.604753 117.3783 7.277377 -6.318542      11.26952 
1 1 1 22  4  7  o 19.61440 9.211073 -79.46346      78.45869 -76.65347      106.8939 -82.74543      115.5225 24.21104 11.15747 25.13901 11.59005 -0.9279747     16.08783 
1 1 1 22  4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  4  9  o 134.7753 4.815341 1562.649       110.8254 1805.230       175.3146 1401.187       143.0292 144.2196 7.118555 127.0359 6.616079 17.18370       9.718350 
1 1 1 22  4  10 o 89.04325 5.601411 687.3775       84.73861 889.9799       127.9117 528.9146       113.1233 100.8032 7.484188 77.18162 8.736814 23.62163       11.50413 
1 1 1 22  4  11 o 75.53304 5.953332 497.1153       76.16652 374.9142       114.2912 594.7489       102.1585 63.98090 10.84825 82.25055 7.350792 -18.26965      13.10415 
1 1 1 22  4  12 o 86.26338 5.779775 648.1970       84.64874 685.5899       123.4009 614.9642       116.3342 87.81768 8.328356 83.14316 8.304784 4.674522       11.76142 
1 1 1 22  4  13 o 82.31892 5.646553 591.2957       78.89542 593.8293       119.6164 589.3448       104.9640 81.29889 8.753983 81.46854 7.633827 -0.1696472     11.61497 
1 1 1 22  4  14 o 115.5425 4.877728 1155.908       96.24126 1057.770       149.1362 1225.942       125.9853 108.9594 8.072669 118.3091 6.258169 -9.349686      10.21434 
1 1 1 22  4  15 o 50.86296 8.205601 235.7002       68.84563 190.2066       99.09462 278.1462       95.71801 44.23060 12.54245 54.27819 10.70717 -10.04759      16.49110 
1 1 1 22  5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  5  1  o 56.36955 8.852268 281.0163       82.40424 308.3987       110.4696 246.6663       123.7287 58.53913 11.46102 52.04988 13.72440 6.489243       17.88055 
1 1 1 22  5  2  o 102.3968 5.247525 901.6091       91.44953 968.5448       131.5823 839.0695       127.1879 105.7959 7.328421 98.37711 7.630646 7.418755       10.57982 
1 1 1 22  5  3  o 191.6926 4.812469 3149.752       157.5343 2984.240       246.0067 3264.802       205.1041 186.0134 7.744634 194.9196 6.161930 -8.906265      9.896905 
1 1 1 22  5  4  o 239.9318 5.232687 4940.599       214.3949 5084.298       352.0403 4855.881       270.3030 242.3780 8.505450 237.4872 6.665132 4.890762       10.80586 
1 1 1 22  5  5  o 73.93597 7.047041 475.8625       87.89738 407.8890       131.0842 531.3932       118.4806 67.20088 11.85620 77.70004 9.101888 -10.49916      14.94703 
1 1 1 22  5  6  o 210.5348 5.140001 3809.689       184.7944 3978.198       295.8779 3701.918       236.6204 214.1003 8.092699 207.0621 6.691902 7.038162       10.50111 
1 1 1 22  5  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  5  8  o 168.9498 4.822987 2454.881       139.1476 2402.265       219.0260 2490.488       180.1813 166.1969 7.717397 169.7667 6.215203 -3.569855      9.908934 
1 1 1 22  5  9  o 71.75827 6.737474 450.4302       81.59352 306.6547       113.2554 605.5836       117.6514 57.55558 11.91552 82.78575 8.440286 -25.23017      14.60198 
1 1 1 22  5  10 o 99.76328 5.245975 861.2905       89.05760 1004.771       134.9669 750.6434       118.5223 107.0828 7.426735 92.43619 7.575090 14.64659       10.60841 
1 1 1 22  5  11 o 91.39677 5.269271 724.2951       81.89140 832.4626       127.5407 648.4207       106.8190 97.17451 7.750362 85.83102 7.359064 11.34349       10.68756 
1 1 1 22  5  12 o 57.05637 7.611323 290.7565       72.30999 243.6364       102.6095 337.2433       101.9176 50.63943 12.04184 60.54338 10.22179 -9.903946      15.79528 
1 1 1 22  5  13 f 30.99718 10.45860 83.39326       65.66208 162.6056       91.55811 -0.4910634     94.21948 41.37729 12.15575 26.23827 11.37500 15.13902       16.64791 
1 1 1 22  5  14 o 55.72736 7.307390 278.0818       67.86371 333.3004       102.1077 234.3899       90.82722 59.81914 10.37169 49.71906 10.99004 10.10008       15.11135 
1 1 1 22  5  15 o 52.65006 7.666336 250.8689       66.90332 318.9247       101.1755 197.9871       89.18580 58.16316 10.57611 45.25742 11.51264 12.90574       15.63313 
1 1 1 22  6  0  o 158.4056 5.051573 2151.311       136.6467 2388.883       203.0604 1954.690       184.7324 166.5819 7.138312 150.6776 7.179471 15.90427       10.12424 
1 1 1 22  6  1  o 153.4406 4.937933 2018.465       129.3860 2044.942       191.0870 1996.048       175.8234 154.0799 7.262452 152.3158 6.759736 1.764053       9.921555 
1 1 1 22  6  2  o 69.30221 7.329201 418.3549       85.42113 427.9311       103.6414 398.0706       150.8406 69.77987 8.900328 66.05439 13.81667 3.725479       16.43522 
1 1 1 22  6  3  f 166.4639 5.364647 2378.928       152.4976 2732.299       228.8022 2096.479       204.5571 177.9304 7.530230 155.8237 7.687394 22.10664       10.76106 
1 1 1 22  6  4  o 33.20255 11.67039 86.47398       82.01714 109.3799       113.3020 61.25785       118.8783 37.88943 13.67324 34.35673 13.61816 3.532700       19.29798 
1 1 1 22  6  5  o 111.0095 6.902149 1068.539       130.1939 1194.177       160.8486 829.8427       221.7076 117.0509 8.096874 95.42830 14.02335 21.62263       16.19302 
1 1 1 22  6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  6  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  6  8  o 30.91148 10.46777 79.71732       65.77966 118.8079       93.57500 41.53009       92.48749 37.16576 12.48548 29.63482 11.92230 7.530945       17.26350 
1 1 1 22  6  9  o 40.40931 10.38048 150.5615       72.01044 143.6806       95.92563 159.4457       108.9987 39.86038 12.59338 41.93164 13.44294 -2.071262      18.42026 
1 1 1 22  6  10 o 84.03941 5.886128 614.7471       83.93909 478.4814       119.1336 749.0818       118.2865 72.80612 9.833799 92.26088 7.574701 -19.45476      12.41288 
1 1 1 22  6  11 o 101.6186 5.077230 892.8440       88.10528 845.3694       134.7722 928.2756       116.4299 97.61469 8.159892 102.9540 6.658119 -5.339294      10.53159 
1 1 1 22  6  12 o 103.6442 5.143530 930.7899       91.03499 798.0355       136.2320 1037.897       122.3670 94.42923 8.540762 108.7391 6.621409 -14.30988      10.80683 
1 1 1 22  6  13 o 68.99417 6.599087 420.5821       76.80125 391.6666       110.2691 447.8239       107.0301 65.05330 10.26674 70.17406 9.149217 -5.120758      13.75187 
1 1 1 22  6  14 o 84.07909 5.449234 618.0215       77.81812 543.2733       121.2250 670.4125       101.4892 77.04716 9.409185 86.99160 6.888215 -9.944443      11.66106 
1 1 1 22  7  0  o 181.2682 5.739594 2821.540       177.6662 2843.782       232.7582 2790.489       275.0102 181.6160 7.504971 179.5349 8.970114 2.081116       11.69562 
1 1 1 22  7  1  o 102.6440 5.923324 908.2182       103.3837 922.9597       131.0306 883.9067       168.2710 103.1865 7.487113 100.3904 9.946458 2.796120       12.44945 
1 1 1 22  7  2  o 76.76716 7.869206 514.4852       101.7015 697.9425       134.8593 272.5713       154.8616 89.27449 8.967319 54.49070 15.75235 34.78379       18.12593 
1 1 1 22  7  3  o 148.9115 6.183226 1909.392       157.2336 1926.098       200.3683 1882.617       253.6653 148.9644 7.904998 146.4765 10.20500 2.487915       12.90856 
1 1 1 22  7  4  o 56.45030 9.420531 285.1463       87.61164 356.8531       121.8920 208.5079       126.0139 62.61205 11.83389 47.79380 14.31572 14.81825       18.57366 
1 1 1 22  7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  7  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  7  7  f 90.90317 5.556948 715.6205       85.84728 621.2823       127.1270 794.7024       116.3945 83.68911 9.038973 95.37193 7.199839 -11.68282      11.55598 
1 1 1 22  7  8  o 134.6432 4.826974 1561.655       110.9843 1533.298       171.6556 1582.023       145.4826 132.3404 7.627947 135.0984 6.306069 -2.758087      9.897075 
1 1 1 22  7  9  o 124.6027 4.833877 1338.678       102.8549 1322.582       171.9072 1347.654       128.3665 122.4543 8.269329 124.6830 6.028962 -2.228645      10.23378 
1 1 1 22  7  10 o 140.8201 4.699559 1711.038       113.0118 1797.975       179.7600 1654.221       145.3223 143.0863 7.382023 137.9424 6.169253 5.143906       9.620497 
1 1 1 22  7  11 o 23.39090 9.676467 17.90396       63.01553 -81.97977      106.5844 71.58089       78.13403 23.47922 10.93049 30.59120 11.30477 -7.111980      15.72493 
1 1 1 22  7  12 o 146.5719 4.628773 1857.969       115.8560 1688.819       185.9741 1965.249       148.1067 137.8488 7.933864 150.2134 5.773832 -12.36465      9.812407 
1 1 1 22  7  13 o 102.7926 5.098552 917.4213       89.49741 883.8743       150.9060 935.6226       111.1558 98.80562 9.044157 103.1621 6.340433 -4.356453      11.04526 
1 1 1 22  7  14 o 105.4632 5.329528 971.5309       95.67125 811.8169       139.2312 1114.398       131.6833 94.60397 8.716408 112.1286 6.910885 -17.52464      11.12367 
1 1 1 22  8  0  o 50.70893 12.05385 234.5298       102.8450 240.5069       119.0733 216.9753       204.0635 51.23985 13.44116 51.56885 18.37865 -0.3289986     22.76927 
1 1 1 22  8  1  o 90.34596 7.726771 710.7673       118.0622 708.2516       141.9790 716.4055       212.5505 89.77113 9.401020 88.61373 14.55145 1.157402       17.32409 
1 1 1 22  8  2  o 193.4251 6.051315 3222.309       199.8778 3186.958       263.7661 3269.989       306.3238 191.7223 8.056462 193.7313 9.259318 -2.009048      12.27361 
1 1 1 22  8  3  o 106.9750 5.967083 989.4299       108.5707 1013.228       149.8730 963.1499       157.4947 107.6659 8.213580 104.7490 8.888591 2.916878       12.10248 
1 1 1 22  8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  8  6  o 87.41045 5.771572 662.8080       85.66592 781.0985       125.8866 560.7848       116.9106 94.30845 7.889227 79.53481 8.752703 14.77364       11.78345 
1 1 1 22  8  7  o 153.9083 4.688177 2039.814       123.2163 1903.313       194.1076 2131.938       159.4640 147.4086 7.738177 156.9400 5.950138 -9.531372      9.761329 
1 1 1 22  8  8  f 41.85161 9.850764 161.5882       69.23185 174.1598       94.86980 147.2661       101.2595 43.16692 12.28310 40.28419 12.96135 2.882729       17.85696 
1 1 1 22  8  9  o 107.4685 4.905095 997.4771       90.01826 960.5717       140.8128 1022.983       117.0623 104.2173 7.972734 108.2395 6.361253 -4.022156      10.19951 
1 1 1 22  8  10 o 28.52819 10.30754 63.88563       64.41633 -12.51924      88.41981 150.3053       94.03628 24.71083 10.85958 40.08332 12.43904 -15.37249      16.51243 
1 1 1 22  8  11 o 125.8395 4.817149 1371.042       103.5164 1491.286       162.7408 1289.331       134.1543 129.8570 7.369230 121.1832 6.506565 8.673843       9.830612 
1 1 1 22  8  12 o 171.6378 4.630904 2549.942       135.7315 2299.915       219.8105 2704.031       172.5599 160.8533 8.002332 176.1093 5.737936 -15.25606      9.846889 
1 1 1 22  8  13 o 121.5325 4.962198 1283.583       102.9837 1306.822       169.6725 1270.029       129.5823 120.5086 8.295547 120.0735 6.342201 0.4350967      10.44220 
1 1 1 22  9  0  o 80.10819 8.255566 562.4926       111.3163 513.0255       132.6144 680.4768       204.8070 75.84846 10.52206 86.14573 14.43277 -10.29727      17.86109 
1 1 1 22  9  1  o 66.43090 9.493541 392.9674       104.6331 362.9212       124.6145 464.7795       192.6517 63.05469 12.01171 70.05150 16.39498 -6.996811      20.32429 
1 1 1 22  9  2  o 124.1959 6.317091 1335.718       133.5340 1508.842       165.3631 1011.233       226.3899 131.6889 7.383160 105.6602 12.80889 26.02868       14.78441 
1 1 1 22  9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  9  4  o 146.5234 4.995963 1848.599       125.0052 1938.210       189.5479 1779.627       166.2940 149.2741 7.435883 143.2536 6.797812 6.020584       10.07485 
1 1 1 22  9  5  o 43.29315 10.47032 172.8588       76.55998 126.2691       96.93824 250.0968       124.8148 38.05034 12.70825 51.40898 13.88906 -13.35864      18.82566 
1 1 1 22  9  6  o 121.1776 5.051042 1266.724       104.5214 1383.916       157.2567 1173.982       139.8934 125.7402 7.355794 115.8756 7.104022 9.864563       10.22618 
1 1 1 22  9  7  o 25.61950 10.16025 34.63437       66.20401 22.67819       88.00916 50.21843       100.4782 27.37389 11.38892 31.00609 12.44333 -3.632200      16.86843 
1 1 1 22  9  8  o 121.7832 4.911264 1281.348       102.1369 1303.932       155.9136 1264.370       135.1815 121.6745 7.540978 120.2343 6.609331 1.440193       10.02744 
1 1 1 22  9  9  o 70.98587 6.468320 443.6074       77.54828 340.2101       125.0090 508.2876       98.87176 59.58589 12.67526 75.53872 7.775891 -15.95283      14.87033 
1 1 1 22  9  10 o 20.03508 8.836755 -12.39391      59.04163 -46.79802      84.81607 19.95091       82.23853 22.00645 10.06617 26.12941 10.95124 -4.122965      14.87473 
1 1 1 22  9  11 f 67.47070 6.570539 402.9856       74.74331 315.0953       108.0873 483.5269       103.4698 57.56371 11.39899 73.16983 8.435433 -15.60612      14.18075 
1 1 1 22  9  12 f 51.59721 8.204061 243.2999       69.86653 160.6927       100.0316 321.9796       97.62471 40.75515 12.85837 58.61773 10.11850 -17.86258      16.36221 
1 1 1 22  10 0  o 91.57301 7.303164 731.9701       113.2540 687.1561       128.2614 890.5576       241.2815 88.32948 8.612904 98.00062 14.88581 -9.671143      17.19794 
1 1 1 22  10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  10 3  o 26.87874 10.85094 32.14604       76.89987 42.87702       90.27457 3.764446       146.8129 29.44776 11.80284 33.00930 14.25478 -3.561537      18.50691 
1 1 1 22  10 4  o 126.4474 5.095376 1379.374       110.0242 1244.037       158.7494 1504.472       152.6266 119.0053 7.855862 131.3536 6.827882 -12.34830      10.40839 
1 1 1 22  10 5  o 120.3614 5.167484 1251.197       106.2107 1369.660       155.5955 1147.838       145.3378 125.0167 7.320244 114.3438 7.484576 10.67294       10.46923 
1 1 1 22  10 6  o 73.07703 6.526392 468.4327       80.58644 437.8439       110.8875 502.6714       117.3169 69.57526 9.587783 74.69711 9.405736 -5.121849      13.43106 
1 1 1 22  10 7  f 38.24411 10.35881 136.2987       69.32410 86.66109       92.34405 200.3976       104.9370 33.32217 12.29464 45.77561 12.88120 -12.45344      17.80684 
1 1 1 22  10 8  f 20.41154 9.072778 -17.86775      63.42302 36.69636       82.65533 -95.99159      98.90292 27.62963 11.21612 21.73705 10.24936 5.892570       15.19378 
1 1 1 22  10 9  o 54.47657 7.923524 268.2168       71.55025 79.71008       98.59488 477.9411       103.9957 32.86703 12.57745 72.73072 8.535559 -39.86369      15.20026 
1 1 1 22  10 10 o 55.97006 7.387348 281.3836       68.88138 308.0545       101.9087 258.9496       93.46416 57.11305 10.84561 52.26347 10.82835 4.849579       15.32581 
1 1 1 22  10 11 o 36.86169 10.21912 129.0136       66.56305 51.54760       93.53694 208.4908       94.74338 29.74679 11.98186 46.19328 11.92799 -16.44649      16.90686 
1 1 1 22  11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  11 1  o 174.8525 5.917027 2645.338       176.6759 2680.567       236.0842 2600.493       266.3619 175.1143 7.894839 171.5945 9.122837 3.519867       12.06460 
1 1 1 22  11 2  o 109.7957 6.237002 1048.923       116.4575 915.1566       140.2561 1345.870       208.9725 101.8586 8.131243 122.6660 10.06484 -20.80737      12.93902 
1 1 1 22  11 3  o 33.10876 11.28539 93.23119       76.46174 96.42555       90.29429 85.13485       143.7516 34.36415 12.22766 37.45420 14.93432 -3.090050      19.30154 
1 1 1 22  11 4  o 104.3343 5.801857 946.7866       102.9619 1012.171       138.3595 865.6423       154.1348 107.1953 7.607836 98.34966 9.287481 8.845665       12.00568 
1 1 1 22  11 5  o 52.87807 8.701189 253.5669       75.83632 269.0437       98.43557 230.9666       118.9511 53.62510 11.11444 48.92678 13.69557 4.698326       17.63800 
1 1 1 22  11 6  o 70.25056 6.752609 435.7979       80.00912 443.5243       108.4783 426.5807       118.4823 69.86529 9.325209 67.94164 10.55463 1.923653       14.08403 
1 1 1 22  11 7  o 55.21993 8.086308 275.8415       73.99199 186.6023       99.29246 387.2805       110.9576 43.95419 12.58647 64.55597 10.41996 -20.60178      16.33997 
1 1 1 22  11 8  o 29.13189 10.50969 68.62191       66.93076 62.50456       88.56560 76.76785       102.2007 30.39943 11.84300 32.82210 12.74004 -2.422672      17.39441 
1 1 1 22  11 9  o 62.87996 7.198513 353.7941       75.90334 376.8690       105.8849 329.4024       108.8642 63.60392 10.08524 58.80214 11.25143 4.801777       15.10982 
1 1 1 22  11 10 o 61.00031 8.181139 339.0360       83.07375 290.1619       122.0099 381.2759       113.4271 53.75103 13.35233 63.32676 10.88095 -9.575733      17.22440 
1 1 1 22  12 0  o 62.96090 8.513457 354.9035       89.18583 446.9526       105.1584 119.0374       168.3321 70.62701 8.917863 41.41803 16.27214 29.20898       18.55562 
1 1 1 22  12 1  o 88.03687 6.575515 678.5171       98.14093 638.6298       121.0863 754.8910       167.5522 84.70372 8.485376 90.96192 11.01095 -6.258202      13.90118 
1 1 1 22  12 2  o 80.59851 7.252832 573.0294       98.75527 512.5353       115.4805 737.6824       190.5184 75.47797 9.146302 88.70477 12.95969 -13.22679      15.86217 
1 1 1 22  12 3  f 81.94563 6.858188 591.1262       95.08794 667.1354       117.5348 447.1295       161.7743 86.61920 8.037619 67.78362 14.41926 18.83558       16.50813 
1 1 1 22  12 4  o 29.23903 10.97846 62.45251       74.26760 121.3871       87.53507 -88.97163      140.3119 36.59048 12.06978 27.34502 12.66519 9.245461       17.49533 
1 1 1 22  12 5  o 62.50568 7.516855 349.6774       78.62502 299.8119       102.0594 422.4801       123.3181 56.38088 10.99526 67.10056 11.15371 -10.71967      15.66209 
1 1 1 22  12 6  f 54.24865 8.532268 268.8111       76.43159 374.5962       100.1690 121.3954       118.2479 63.78362 9.485231 37.68319 13.91082 26.10043       16.83688 
1 1 1 22  12 7  o 61.52583 7.496407 340.1198       77.13298 351.6242       103.4588 325.7231       115.7358 61.32893 10.23975 58.04700 12.06934 3.281929       15.82787 
1 1 1 22  12 8  o 20.41120 9.140797 -21.13889      65.66338 -115.3284      84.80418 119.8699       103.7622 18.66103 8.986891 36.58839 13.09842 -17.92736      15.88499 
1 1 1 22  12 9  o 76.45888 6.468992 519.3510       83.67067 611.9080       116.3190 420.1110       120.4452 81.97003 8.430013 66.32211 11.02165 15.64792       13.87595 
1 1 1 22  13 0  o 46.70933 11.21589 205.8422       88.33410 255.2707       109.5882 114.1575       149.2531 51.62899 12.55181 39.46789 15.37463 12.16110       19.84760 
1 1 1 22  13 1  f 52.16948 10.42705 253.8870       89.64426 205.3782       111.9623 340.5245       149.6285 46.10297 13.41316 58.53166 14.92422 -12.42870      20.06602 
1 1 1 22  13 2  o 73.01558 7.331587 474.1593       90.17992 545.3585       109.9192 327.5648       157.7230 77.88759 8.397028 56.79898 15.72495 21.08861       17.82650 
1 1 1 22  13 3  o 32.41322 11.09854 92.11797       73.95409 61.56228       86.85983 172.6391       141.0028 30.17840 11.73632 42.98382 15.28169 -12.80542      19.26841 
1 1 1 22  13 4  o 24.26477 10.17934 16.49286       71.16316 6.792652       82.99016 43.43699       138.3147 25.09765 10.77682 33.38046 14.10711 -8.282804      17.75248 
1 1 1 22  13 5  o 44.27903 10.03181 185.6440       74.09722 143.1587       93.49055 257.4150       121.5129 38.78069 12.45176 50.66652 13.71068 -11.88583      18.52104 
1 1 1 22  13 6  o 26.75594 10.66844 41.81382       73.35682 36.36829       86.19862 56.11538       139.6921 27.70336 11.37367 34.04433 14.27092 -6.340971      18.24882 
1 1 1 22  13 7  o 39.84597 10.81087 153.6235       75.43181 56.03903       93.42396 336.3876       127.8537 29.94161 12.00477 57.84728 13.23022 -27.90567      17.86486 
1 1 1 22  13 8  o 95.84779 6.869822 819.3784       111.6965 887.6022       145.7318 722.2316       173.9004 98.49757 8.755460 86.21602 12.14848 12.28155       14.97476 
1 1 1 22  14 0  o 53.05551 10.20148 264.0837       89.06944 386.5783       113.1095 64.14212       144.5081 64.20465 10.69252 35.21841 14.61822 28.98624       18.11139 
1 1 1 22  14 1  o 29.37845 10.78138 68.61484       70.87107 62.97938       84.95348 81.51378       128.5268 30.02021 11.62575 35.04412 14.07000 -5.023918      18.25166 
1 1 1 22  14 2  o 59.92194 8.099884 326.2462       80.75908 293.5871       100.4173 386.0518       135.8867 55.45151 10.99298 62.50291 13.14800 -7.051395      17.13813 
1 1 1 22  14 3  o 34.15422 11.14752 107.8954       74.74198 76.42276       87.67013 191.6306       143.0009 31.43523 11.90038 44.10228 15.41512 -12.66705      19.47421 
1 1 1 22  14 4  o 46.82421 10.68030 210.8463       83.50893 218.1936       94.64753 185.0259       177.4296 47.17216 11.78388 44.17757 16.88035 2.994598       20.58655 
1 1 1 22  14 5  o 51.78245 9.695919 253.3287       82.58699 252.6761       98.99541 254.8226       149.7809 50.70980 11.67369 49.02621 15.76271 1.683586       19.61474 
1 1 1 22  14 6  o 35.28100 11.88230 117.3711       84.75411 127.2051       110.2099 103.1377       132.5900 37.11936 13.47153 36.23162 14.37553 0.8877373      19.70122 
1 1 1 22  15 0  o 38.31591 12.51326 140.9593       94.17283 213.1482       126.8280 52.24862       140.5943 45.76089 14.48291 33.72409 14.23600 12.03680       20.30809 
1 1 1 22  15 1  o 49.97438 10.46584 239.1497       86.45253 226.4986       108.6532 260.9796       142.7257 47.45933 13.01601 49.89387 15.29850 -2.434540      20.08633 
1 1 1 22  15 2  f 37.23419 11.50050 134.1434       80.48869 172.0154       101.1730 68.84807       132.8456 41.54142 12.90423 33.96585 14.05031 7.575577       19.07695 
1 1 1 22  15 3  o 23.55997 10.34832 -5.177081      80.19678 -15.26085      101.3034 11.75233       131.2603 25.61817 11.42157 30.27213 13.26918 -4.653961      17.50781 
1 1 1 22  15 4  o 28.51768 10.94532 60.86500       74.80366 121.6783       87.92120 -98.55328      142.3519 35.74217 12.10195 26.39566 12.39930 9.346508       17.32627 
1 1 1 22  16 0  o 28.49292 11.37190 53.39035       83.42285 19.34535       95.99544 158.4249       168.6126 27.09108 11.61047 41.13201 16.24550 -14.04093      19.96795 
1 1 1 22  16 1  o 89.58400 6.779710 719.6489       102.9474 493.2851       146.9989 937.5351       144.2200 69.96342 12.77458 101.0348 8.436134 -31.07137      15.30877 
1 1 1 23  0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  0  1  f 123.9650 7.919449 1334.218       166.0781 1334.218       166.0781 1334.218       166.0781 123.9650 7.919449 123.9650 7.919449 0.000000       0.000000 
1 1 1 23  0  2  o 198.5561 8.171485 3400.957       276.0012 3400.957       276.0012 3400.957       276.0012 198.5561 8.171485 198.5561 8.171485 0.000000       0.000000 
1 1 1 23  0  3  o 69.23409 9.955562 436.8336       110.6367 436.8336       110.6367 436.8336       110.6367 69.23409 9.955562 69.23409 9.955562 0.000000       0.000000 
1 1 1 23  0  4  o 26.21703 14.13122 85.16405       87.80695 85.16405       87.80695 85.16405       87.80695 26.21703 14.13122 26.21703 14.13122 0.000000       0.000000 
1 1 1 23  0  5  f 55.71793 11.60436 299.9489       97.34893 299.9489       97.34893 299.9489       97.34893 55.71793 11.60436 55.71793 11.60436 0.000000       0.000000 
1 1 1 23  0  6  o 165.7254 8.049439 2379.892       226.5762 2379.892       226.5762 2379.892       226.5762 165.7254 8.049439 165.7254 8.049439 0.000000       0.000000 
1 1 1 23  0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  0  8  f 16.62990 11.46062 -77.34863      108.0769 -77.34863      108.0769 -77.34863      108.0769 16.62990 11.46062 16.62990 11.46062 0.000000       0.000000 
1 1 1 23  0  9  o 37.84967 16.39939 180.8544       109.4000 180.8544       109.4000 180.8544       109.4000 37.84967 16.39939 37.84967 16.39939 0.000000       0.000000 
1 1 1 23  0  10 o 43.97009 15.34592 222.0460       104.2323 222.0460       104.2323 222.0460       104.2323 43.97009 15.34592 43.97009 15.34592 0.000000       0.000000 
1 1 1 23  0  11 o 23.22472 13.82959 54.68648       96.27101 54.68648       96.27101 54.68648       96.27101 23.22472 13.82959 23.22472 13.82959 0.000000       0.000000 
1 1 1 23  0  12 o 36.19143 15.48885 166.1703       97.77510 166.1703       97.77510 166.1703       97.77510 36.19143 15.48885 36.19143 15.48885 0.000000       0.000000 
1 1 1 23  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  0  14 o 22.51513 14.00758 37.41001       108.7046 37.41001       108.7046 37.41001       108.7046 22.51513 14.00758 22.51513 14.00758 0.000000       0.000000 
1 1 1 23  0  15 o 53.28828 12.86486 291.2598       101.4928 291.2598       101.4928 291.2598       101.4928 53.28828 12.86486 53.28828 12.86486 0.000000       0.000000 
1 1 1 23  1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  1  1  o 209.9493 5.675818 3782.038       203.4908 3642.758       284.9456 3926.999       290.6997 205.5231 8.118940 213.4278 7.976118 -7.904755      11.38137 
1 1 1 23  1  2  o 96.86806 5.824336 808.3754       95.89718 882.6409       130.9706 722.5439       140.8004 100.9207 7.656680 90.93610 9.193314 9.984581       11.96419 
1 1 1 23  1  3  o 104.5382 5.780470 941.0207       102.7898 861.6603       147.8892 1015.188       142.9691 99.45353 8.798715 108.2314 7.787527 -8.777878      11.75002 
1 1 1 23  1  4  o 135.2596 5.197668 1569.831       120.0545 1684.575       168.5390 1451.638       171.0543 139.6449 7.090891 129.4492 7.774096 10.19574       10.52223 
1 1 1 23  1  5  o 128.2285 5.746106 1413.664       125.8231 1328.757       199.7217 1469.538       162.0175 123.2191 9.566728 130.2620 7.313116 -7.042931      12.04176 
1 1 1 23  1  6  o 275.8946 6.453756 6565.897       304.0588 6736.842       432.0489 6398.151       427.9881 278.0711 9.098611 270.8992 9.251712 7.171967       12.97609 
1 1 1 23  1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  1  8  o 102.5504 6.173354 911.6075       107.6048 767.3928       152.0048 1056.474       152.3482 93.00504 9.714167 109.8273 8.181851 -16.82222      12.70070 
1 1 1 23  1  9  o 31.09126 11.47562 70.68716       80.46495 185.8371       109.3683 -65.19341      118.8059 44.83006 13.31610 26.24020 11.96828 18.58986       17.90414 
1 1 1 23  1  10 o 58.46933 8.495404 305.7157       82.34103 357.7298       127.3738 268.3738       107.9239 61.93060 12.47537 53.60434 12.07946 8.326252       17.36514 
1 1 1 23  1  11 o 63.09171 7.713985 353.4854       81.37889 433.1093       112.2252 265.1877       118.1798 69.19264 9.769714 52.77505 13.15872 16.41759       16.38900 
1 1 1 23  1  12 o 89.12442 7.785823 704.0044       117.3064 664.5637       128.0177 910.5449       292.9546 86.12727 8.828951 94.02248 18.90141 -7.895218      20.86178 
1 1 1 23  1  13 o 25.62899 10.10014 37.79065       65.04097 -21.49867      92.01674 96.99007       91.94695 24.60419 10.93270 34.20230 12.32103 -9.598110      16.47215 
1 1 1 23  1  14 o 116.2883 5.456723 1175.846       108.3602 1111.183       153.2892 1240.434       153.1997 111.5848 8.099809 118.2072 7.630219 -6.622444      11.12776 
1 1 1 23  1  15 o 76.08706 6.248577 510.7117       80.47134 435.6147       118.2467 575.4944       109.8265 68.28516 10.47490 79.92692 8.161083 -11.64175      13.27881 
1 1 1 23  2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  2  1  o 109.1926 5.654303 1025.774       105.0711 1015.828       141.4916 1038.000       156.8835 108.3119 7.700004 109.3350 8.468712 -1.023079      11.44592 
1 1 1 23  2  2  o 139.5294 5.341353 1669.906       127.2679 1662.622       174.2615 1678.233       186.3100 138.7456 7.381511 139.2905 7.864880 -0.5449371     10.78624 
1 1 1 23  2  3  o 205.6486 5.640733 3630.300       198.0903 3708.791       277.0052 3548.150       283.3879 207.3507 7.823129 202.7122 8.186523 4.638474       11.32345 
1 1 1 23  2  4  o 134.6401 5.528704 1556.809       127.1158 1671.407       186.9088 1458.191       173.3893 138.8703 7.914450 129.6934 7.866107 9.176880       11.15859 
1 1 1 23  2  5  o 145.0910 5.579401 1809.650       138.2388 1908.653       212.5967 1737.126       181.9581 148.1358 8.439095 141.5629 7.554273 6.572952       11.32631 
1 1 1 23  2  6  o 94.66105 5.932637 774.8969       95.41600 952.6307       148.8663 650.9686       124.3073 104.3668 8.424601 86.11346 8.566967 18.25333       12.01527 
1 1 1 23  2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  2  8  o 93.41113 6.307542 757.6451       100.0251 689.8804       163.7141 798.0081       126.3500 87.54902 11.20776 95.46069 7.819445 -7.911667      13.66593 
1 1 1 23  2  9  o 88.91781 6.165217 687.3427       93.03551 643.8184       138.9138 722.7448       125.2835 84.90826 9.757976 90.58617 8.187470 -5.677910      12.73785 
1 1 1 23  2  10 o 108.0071 7.413550 1022.127       135.9075 944.6711       153.6751 1300.190       291.1697 103.2769 8.797467 117.7231 14.81170 -14.44618      17.22736 
1 1 1 23  2  11 o 94.83926 5.971701 783.2860       96.21984 690.7644       137.9874 870.8516       134.2408 87.79122 9.348001 99.27723 7.985873 -11.48601      12.29469 
1 1 1 23  2  12 o 38.21313 10.11589 136.0187       67.04705 111.2980       96.34389 159.2338       93.36401 36.02891 12.64952 41.14911 12.32166 -5.120205      17.65882 
1 1 1 23  2  13 o 48.33384 8.880628 214.1962       70.59770 57.26658       100.8401 365.0523       98.86951 31.28648 12.49754 63.19965 9.451282 -31.91317      15.66893 
1 1 1 23  2  14 o 57.85661 7.667526 300.9228       73.88857 347.0362       106.1006 257.5000       102.9587 60.93441 10.58036 51.75287 11.89876 9.181534       15.92245 
1 1 1 23  2  15 o 104.9771 5.621500 964.1605       100.4082 804.0099       140.4173 1131.734       143.6348 94.17068 8.835075 112.7229 7.504725 -18.55225      11.59221 
1 1 1 23  3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  3  1  o 70.92281 7.379216 437.7813       88.06268 412.3878       106.6881 492.0713       155.9967 68.40698 9.379998 73.96756 12.81437 -5.560577      15.88057 
1 1 1 23  3  2  o 79.51615 6.508231 547.1685       87.59886 558.9492       115.2586 531.0571       134.7884 79.98790 8.571664 77.51360 10.44919 2.474297       13.51514 
1 1 1 23  3  3  o 103.0505 6.148844 916.0119       107.7115 1055.239       156.8235 791.6812       148.1965 110.1715 8.398939 95.14351 9.237741 15.02795       12.48511 
1 1 1 23  3  4  o 135.1154 5.320107 1567.616       122.7516 1831.871       186.4927 1365.614       163.0527 145.4602 7.533676 125.5093 7.644076 19.95095       10.73258 
1 1 1 23  3  5  o 144.5408 5.203746 1795.084       128.4424 2015.812       211.8217 1666.734       161.5258 152.2612 8.176579 138.9681 6.806512 13.29306       10.63885 
1 1 1 23  3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  3  8  o 84.11407 6.146702 614.7649       87.67889 677.8945       135.5862 569.3915       114.9474 87.44228 9.219069 80.28964 8.513633 7.152641       12.54883 
1 1 1 23  3  9  o 43.94973 12.67451 179.2534       100.3660 135.9012       114.5582 322.4225       208.1829 39.88184 13.80521 57.68950 18.58710 -17.80766      23.15306 
1 1 1 23  3  10 o 71.27150 7.321097 447.5507       87.83722 337.9239       120.6920 571.0056       128.0779 60.17992 12.16261 79.78166 9.593211 -19.60174      15.49061 
1 1 1 23  3  11 o 86.21689 6.207431 649.4189       90.78004 572.6669       124.2640 737.2619       132.9394 79.80880 9.291786 90.95123 8.664136 -11.14243      12.70451 
1 1 1 23  3  12 o 46.75130 9.001269 200.5975       69.25441 183.3485       99.94926 216.5263       96.04823 43.83812 12.64987 47.68664 11.84749 -3.848526      17.33154 
1 1 1 23  3  13 o 48.16568 8.961562 213.1307       70.99676 185.5183       100.5500 240.5838       100.2597 43.93996 12.69032 50.14333 11.88938 -6.203369      17.38970 
1 1 1 23  3  14 f 64.36990 7.545993 371.2740       81.37329 351.0946       108.5048 397.2112       123.0145 61.13628 10.78751 64.70712 11.55679 -3.570835      15.80916 
1 1 1 23  4  0  o 71.50286 7.105853 444.3076       85.61515 362.8893       105.1925 604.0698       147.3536 63.96524 9.953960 82.70980 10.68248 -18.74456      14.60125 
1 1 1 23  4  1  o 250.8057 6.222053 5405.284       266.4851 5392.532       366.5832 5419.573       388.0677 249.7894 8.594025 250.2389 9.081357 -0.4494781     12.50313 
1 1 1 23  4  2  o 157.4758 5.106905 2126.926       137.3326 1918.511       212.2702 2276.964       180.1048 148.7680 8.389838 162.7127 6.481892 -13.94470      10.60209 
1 1 1 23  4  3  o 114.0360 5.629389 1117.152       109.6239 1255.583       165.4792 1008.887       146.3419 120.2404 8.106500 107.7479 8.010778 12.49254       11.39684 
1 1 1 23  4  4  f 167.6289 5.060462 2412.709       144.8575 2305.069       237.0972 2476.820       182.9795 162.7883 8.559116 169.5765 6.318804 -6.788193      10.63888 
1 1 1 23  4  5  o 101.4042 5.763598 888.1881       99.39276 858.1231       151.3161 911.0041       131.8177 98.83285 9.066731 102.2742 7.601886 -3.441360      11.83192 
1 1 1 23  4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  4  7  o 85.11117 6.602357 630.5165       95.20843 584.0951       139.3795 671.1257       130.3624 80.78420 10.34081 87.17426 8.881178 -6.390060      13.63113 
1 1 1 23  4  8  o 114.4169 5.535928 1129.804       108.1639 1277.017       161.1399 1009.081       145.9233 120.7543 7.857224 107.2247 8.027696 13.52962       11.23298 
1 1 1 23  4  9  o 50.24974 10.47109 232.3239       86.93720 314.5974       127.1449 160.0833       119.1406 57.74308 13.18412 42.30353 14.08726 15.43955       19.29435 
1 1 1 23  4  10 o 47.43985 9.670568 206.5027       75.68525 158.1342       101.5916 266.8317       113.4592 41.42886 12.94103 53.09464 12.68698 -11.66578      18.12263 
1 1 1 23  4  11 o 96.65559 5.670498 813.2079       93.18470 777.4949       133.7866 846.8589       129.8669 93.40968 8.479634 97.80553 7.841526 -4.395844      11.54962 
1 1 1 23  4  12 o 47.46194 9.572281 208.5996       74.90502 204.2848       100.8021 213.9199       111.9336 46.10397 12.49259 46.98622 13.33244 -0.8822517     18.27071 
1 1 1 23  4  13 o 54.16139 7.806363 264.3469       70.11539 198.1612       103.5881 320.3087       95.25186 45.24695 12.82123 58.90446 9.814785 -13.65752      16.14664 
1 1 1 23  4  14 o 98.83192 5.515397 853.8697       92.71297 755.8326       134.8669 941.7112       127.6615 91.36537 8.751199 102.9192 7.311335 -11.55383      11.40347 
1 1 1 23  5  0  o 154.5926 5.219222 2049.928       137.7833 1949.286       201.0419 2139.069       189.2062 150.1144 7.870051 157.6252 7.029227 -7.510834      10.55214 
1 1 1 23  5  1  o 30.22952 11.59338 55.17556       83.88377 -13.15509      101.8890 198.9201       147.7798 27.17524 11.80505 47.92353 15.67647 -20.74829      19.62424 
1 1 1 23  5  2  o 206.4115 5.179272 3656.532       182.5595 3788.240       287.8755 3567.934       236.1088 209.3375 8.052961 203.5203 6.793641 5.817245       10.53583 
1 1 1 23  5  3  o 67.98986 7.931672 405.2142       90.35873 569.9405       130.6295 254.0865       125.1215 80.34126 9.719030 52.53375 13.77719 27.80751       16.86033 
1 1 1 23  5  4  o 69.65906 7.762597 425.4170       90.76884 377.1062       129.4500 472.1437       127.3099 64.31487 12.23365 72.67451 10.56799 -8.359650      16.16615 
1 1 1 23  5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  5  7  o 33.20213 11.21066 92.87766       75.44553 109.1116       111.5078 79.17183       102.4579 37.32413 13.54989 33.92038 12.85924 3.403751       18.68046 
1 1 1 23  5  8  o 54.71412 7.979442 266.7629       72.36056 351.4106       105.3976 191.2906       99.52154 62.20543 10.28120 45.28146 12.47289 16.92397       16.16404 
1 1 1 23  5  9  o 118.1165 5.088988 1203.992       102.6464 1173.432       154.0933 1228.369       137.6264 115.5172 7.858221 118.6214 6.822927 -3.104149      10.40692 
1 1 1 23  5  10 o 23.52861 9.967481 7.866564       69.31608 -25.74914      91.11241 54.05627       106.8019 24.35704 10.84759 31.86357 12.81428 -7.506533      16.78916 
1 1 1 23  5  11 o 27.18224 10.90977 38.05301       77.24571 -179.1754      111.3213 239.7764       107.2749 20.51182 9.977190 49.96240 12.58105 -29.45058      16.05699 
1 1 1 23  5  12 o 50.63279 9.013060 235.2474       75.07375 231.5352       100.7180 239.8885       112.6162 49.09248 12.09323 49.64123 13.09565 -0.5487518     17.82533 
1 1 1 23  5  13 o 167.7167 4.817940 2437.718       137.9875 2400.585       216.4417 2463.144       179.1050 164.5555 7.702410 167.7441 6.252567 -3.188629      9.920773 
1 1 1 23  5  14 o 64.73221 7.429319 376.0166       80.63656 450.4263       110.3246 290.6735       118.1520 69.92104 9.484589 54.26891 12.93288 15.65213       16.03798 
1 1 1 23  6  0  o 77.98739 8.012550 530.6240       105.1910 472.6410       136.6409 614.9818       164.8134 72.75248 11.37058 83.01956 11.97148 -10.26708      16.51080 
1 1 1 23  6  1  o 222.3883 5.414126 4247.157       205.6090 4217.873       315.2726 4268.830       271.2238 220.7428 8.363685 222.4834 7.138850 -1.740540      10.99611 
1 1 1 23  6  2  o 87.27109 7.324309 662.3716       108.1444 730.6265       142.4545 569.5305       166.1420 91.20752 9.275324 79.40834 12.67858 11.79918       15.70917 
1 1 1 23  6  3  f 91.25648 6.359602 721.5437       98.48549 782.5187       143.8507 667.7471       135.1181 94.37791 9.036103 87.06406 9.228797 7.313858       12.91595 
1 1 1 23  6  4  o 70.42314 9.632694 441.7710       112.8046 495.8599       131.9673 295.0332       217.3620 74.34010 10.70400 56.70740 19.02916 17.63269       21.83311 
1 1 1 23  6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  6  6  o 132.4017 5.218416 1510.346       117.9870 1424.872       180.0057 1574.730       156.2272 127.4715 8.314879 134.6032 6.818974 -7.131676      10.75340 
1 1 1 23  6  7  o 46.40580 10.05163 197.5382       77.35025 214.8719       100.5579 172.4200       121.0500 47.95303 12.23889 43.63058 14.18397 4.322449       18.73434 
1 1 1 23  6  8  o 55.91417 7.790289 278.3541       72.36288 66.20263       103.9936 477.5025       100.7563 32.74983 12.81244 73.37355 8.180652 -40.62372      15.20137 
1 1 1 23  6  9  f 122.7360 4.891410 1300.221       102.5198 1320.672       159.3307 1285.772       133.9260 122.5272 7.653230 121.3959 6.483858 1.131348       10.03057 
1 1 1 23  6  10 o 47.91606 9.329391 211.0845       73.59138 157.5865       100.4403 273.0912       108.1329 41.06804 12.87389 53.61306 12.09833 -12.54502      17.66654 
1 1 1 23  6  11 o 57.53814 8.100554 298.4492       77.38906 218.3454       104.8739 394.2172       114.6703 47.53437 12.68427 65.14174 10.67849 -17.60736      16.58073 
1 1 1 23  6  12 o 34.82624 10.45819 112.5171       67.18878 119.2993       94.64857 105.6275       95.39439 36.51635 12.55359 35.15358 12.56188 1.362778       17.75932 
1 1 1 23  6  13 o 52.71343 8.368155 253.9564       72.81045 229.4530       102.0055 279.4085       103.9614 48.45321 12.30506 53.86289 11.64215 -5.409687      16.93972 
1 1 1 23  7  0  o 52.06108 12.66616 248.3396       111.5317 268.2247       122.3403 150.4858       271.3904 54.01721 13.34153 51.19648 20.48407 2.820728       24.44573 
1 1 1 23  7  1  o 115.2116 6.128679 1146.307       120.1435 1123.566       163.8791 1172.733       176.6566 113.4639 8.520137 115.7889 9.005145 -2.324966      12.39699 
1 1 1 23  7  2  o 135.8965 5.519631 1589.253       128.0915 1499.901       183.4432 1674.271       178.9383 131.1515 8.232556 138.8084 7.577592 -7.656860      11.18905 
1 1 1 23  7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  7  5  o 103.3615 6.293030 927.6313       110.5472 1059.128       160.4381 808.7695       152.5357 109.6929 8.634810 95.46481 9.482238 14.22807       12.82469 
1 1 1 23  7  6  o 150.3514 4.833616 1947.013       124.1028 2023.329       194.0462 1894.193       161.4351 152.3603 7.458152 147.8177 6.395430 4.542679       9.824742 
1 1 1 23  7  7  o 40.23574 10.60014 149.7407       73.84977 50.29020       97.47862 283.7187       113.1416 30.76861 12.28861 54.97842 12.35246 -24.20981      17.42393 
1 1 1 23  7  8  f 120.0444 5.040202 1244.480       103.3218 1115.428       154.2413 1349.526       139.1581 112.3899 8.090714 124.3530 6.576533 -11.96317      10.42643 
1 1 1 23  7  9  o 60.42016 7.402349 324.7691       74.77789 313.6438       106.6015 335.5467       104.9223 57.95813 11.17587 60.24192 10.58553 -2.283787      15.39330 
1 1 1 23  7  10 o 21.35257 9.409685 -13.02209      66.80305 -96.04083      87.28848 104.3447       103.7866 19.99979 9.489158 35.64061 13.05192 -15.64082      16.13681 
1 1 1 23  7  11 o 78.62854 6.048407 542.6744       80.58953 554.2739       117.8899 532.4987       110.4182 78.21951 8.989300 76.85461 8.558720 1.364891       12.41206 
1 1 1 23  7  12 o 74.08066 6.178267 483.7327       77.44502 489.1013       115.4448 479.3398       104.4294 72.99977 9.484960 72.71283 8.575222 0.2869415      12.78667 
1 1 1 23  7  13 o 32.75076 10.78346 97.63217       69.88328 39.02836       94.65891 167.8375       103.6057 28.86479 11.89257 41.51622 13.08474 -12.65143      17.68173 
1 1 1 23  8  0  o 115.7311 6.954735 1161.511       136.8082 1213.155       164.8052 1047.045       245.3587 117.9243 8.235715 107.5024 13.67492 10.42194       15.96341 
1 1 1 23  8  1  o 34.03382 12.69677 81.95756       99.02302 177.5875       113.2410 -228.7496      204.1186 44.30438 13.63402 30.35146 14.43262 13.95292       19.85415 
1 1 1 23  8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  8  4  o 86.69692 6.396286 654.3333       94.02765 624.7490       125.9190 691.6223       141.3682 83.94614 8.920617 88.14204 9.544653 -4.195908      13.06437 
1 1 1 23  8  5  o 24.29700 10.08508 16.35209       68.78041 57.41751       90.59196 -39.53432      105.6829 30.72325 11.97534 25.73363 11.55529 4.989618       16.64132 
1 1 1 23  8  6  o 83.89175 6.251419 613.9337       88.91425 612.7261       122.7566 615.2664       128.9601 82.96017 8.799430 82.95470 9.261677 0.5470276E-02  12.77531 
1 1 1 23  8  7  o 142.1849 4.822593 1744.467       117.0944 1830.073       182.9422 1685.057       152.4026 144.4110 7.443747 139.1829 6.412160 5.228073       9.824722 
1 1 1 23  8  8  o 30.47871 10.72984 76.39040       69.34974 102.4758       91.82465 41.75713       105.8052 34.88745 12.33970 30.71482 12.60444 4.172628       17.63917 
1 1 1 23  8  9  o 53.57212 8.276821 259.9359       73.27843 299.6192       102.0656 217.7206       105.2715 56.49715 10.97468 47.46221 12.72719 9.034939       16.80551 
1 1 1 23  8  10 o 103.2785 5.243742 928.5315       92.17769 909.7701       138.2662 943.5407       123.6696 100.9082 8.092007 103.3212 7.051368 -2.412964      10.73324 
1 1 1 23  8  11 o 51.43682 8.092333 240.7073       68.73241 155.6820       100.2683 316.0737       94.40141 40.38034 12.88785 58.33215 9.826193 -17.95181      16.20650 
1 1 1 23  8  12 o 109.6696 5.136469 1046.955       96.19504 878.8976       143.1281 1185.406       129.9110 98.49123 8.596068 115.8110 6.596222 -17.31974      10.83525 
1 1 1 23  9  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  9  2  o 17.40263 8.386720 -110.2606      74.16155 -104.5306      88.82859 -123.4433      134.7348 20.10202 9.547778 25.80800 12.10393 -5.705984      15.41640 
1 1 1 23  9  3  o 47.93447 10.35081 211.2162       82.24786 222.9384       101.4909 188.7884       140.3831 48.83521 12.20419 45.71568 15.29297 3.119530       19.56572 
1 1 1 23  9  4  o 25.99930 10.68475 24.03749       76.16737 44.81685       90.49603 -26.44313      141.0508 29.56245 11.82845 30.69400 13.59206 -1.131548      18.01822 
1 1 1 23  9  5  o 113.4516 5.191087 1111.895       100.5705 1099.952       147.7738 1122.200       137.2635 111.7827 7.790126 113.1838 7.138373 -1.401146      10.56610 
1 1 1 23  9  6  o 55.49351 8.407892 277.2016       77.18083 198.4824       102.1460 381.9433       117.8259 45.74146 12.65137 64.24548 11.14381 -18.50402      16.85947 
1 1 1 23  9  7  o 79.82268 5.842996 556.7198       79.09252 426.1857       115.4408 672.2027       108.5815 68.14694 10.23635 87.19447 7.361120 -19.04752      12.60829 
1 1 1 23  9  8  o 48.64146 9.093041 217.8168       72.75272 230.1569       98.66210 203.1103       107.7077 48.99697 11.90828 45.77319 13.10947 3.223782       17.71060 
1 1 1 23  9  9  o 65.77850 7.019921 384.8435       77.63497 516.8185       109.1614 249.7720       110.4345 75.62750 8.605794 50.59817 12.77808 25.02934       15.40581 
1 1 1 23  9  10 o 27.46329 10.18623 57.20681       63.55267 91.86176       90.95703 24.15027       88.83466 33.35101 12.21782 27.15764 11.38206 6.193369       16.69810 
1 1 1 23  9  11 o 102.6798 5.264670 921.1491       92.00153 838.2797       136.9164 989.3695       124.2269 96.25558 8.414221 105.5591 6.930058 -9.303490      10.90068 
1 1 1 23  10 0  o 40.21329 12.28784 147.0396       92.16872 254.0013       102.7837 -292.0436      208.2493 52.30592 11.78935 28.86361 13.94570 23.44232       18.26120 
1 1 1 23  10 1  f 97.31810 6.876146 827.0223       113.5367 900.2889       134.9045 649.1146       210.2186 101.2184 7.866655 82.48191 15.49378 18.73653       17.37646 
1 1 1 23  10 2  o 95.23086 7.383715 795.9670       119.1368 842.2054       146.5051 705.6957       204.7041 97.38490 8.908349 86.47286 14.36676 10.91204       16.90451 
1 1 1 23  10 3  o 59.07022 8.612355 313.2978       84.31908 249.5689       104.6285 431.3705       142.4152 51.49529 12.10275 67.80064 12.76892 -16.30535      17.59323 
1 1 1 23  10 4  o 94.90659 5.967415 784.6713       96.22054 785.0732       129.7691 784.1806       143.4028 94.13055 8.153605 93.67497 9.078571 0.4555740      12.20253 
1 1 1 23  10 5  o 45.99174 9.845895 195.9418       74.99450 132.1326       97.42954 288.7140       117.4783 38.29114 12.73862 54.94237 12.76484 -16.65123      18.03369 
1 1 1 23  10 6  o 25.09966 10.19902 28.05731       68.42171 -94.60345      87.56141 220.4023       109.6479 20.11653 9.532767 47.72334 13.07011 -27.60681      16.17719 
1 1 1 23  10 7  o 34.72190 10.98077 110.7496       72.91769 85.61994       92.48586 152.0314       118.5388 32.99094 12.27785 40.62550 14.04413 -7.634556      18.65431 
1 1 1 23  10 8  o 73.76299 6.470399 480.5975       80.67917 600.0439       114.2355 361.7263       113.9601 81.64566 8.309242 61.85894 11.20056 19.78672       13.94618 
1 1 1 23  10 9  o 55.21677 8.493712 278.7791       77.52220 280.4867       102.9895 276.5468       117.7537 54.01219 11.51766 52.85601 13.10978 1.156174       17.45058 
1 1 1 23  10 10 o 23.59503 9.882398 16.74444       66.89557 -29.83765      88.94515 77.40862       101.5030 23.38692 10.54215 32.54376 12.67849 -9.156837      16.48882 
1 1 1 23  11 0  o 159.8766 6.160322 2217.981       168.1861 2237.255       205.6780 2179.086       292.1813 159.9374 7.530711 155.3769 11.08467 4.560501       13.40080 
1 1 1 23  11 1  o 119.0374 6.232172 1234.272       126.2444 1254.331       154.7737 1194.397       218.2209 119.4208 7.629380 114.5557 11.30254 4.865051       13.63652 
1 1 1 23  11 2  f 125.6918 6.152977 1373.180       132.0670 1495.301       163.8885 1147.012       223.0331 130.4633 7.386599 111.7233 11.87215 18.74001       13.98248 
1 1 1 23  11 3  f 24.40709 10.48218 2.345157       78.53960 10.53848       86.15569 -37.94734      191.0584 26.07783 11.08300 34.67837 15.55672 -8.600538      19.10090 
1 1 1 23  11 4  o 42.99810 10.44363 173.6542       75.92175 227.2269       95.49345 81.60959       125.1702 48.88365 11.61177 35.31237 13.98119 13.57128       18.17435 
1 1 1 23  11 5  o 21.73524 9.552834 -10.99665      68.43529 35.38763       84.45100 -99.71552      116.7959 27.67463 11.29772 23.97666 11.25282 3.697969       15.94567 
1 1 1 23  11 6  f 28.28549 10.63101 58.98770       69.67479 -2.337355      88.96545 156.2689       112.0513 25.29373 11.00941 40.71435 13.66269 -15.42062      17.54640 
1 1 1 23  11 7  o 96.53276 5.738137 816.1716       94.16472 618.7833       128.3740 1046.076       138.5448 82.31124 9.295931 108.3783 7.532738 -26.06707      11.96480 
1 1 1 23  11 8  o 53.95984 9.578175 271.7737       85.02568 293.0364       117.9614 248.7815       122.6654 54.39222 12.89599 49.63860 13.91232 4.753624       18.96996 
1 1 1 23  11 9  o 87.50117 6.126331 676.2352       90.96361 639.9410       139.1679 703.3066       120.1921 82.85569 10.04096 88.18895 8.070536 -5.333260      12.88233 
1 1 1 23  12 0  o 61.27943 9.333863 341.2276       94.58840 310.0633       104.3820 484.3153       223.6649 57.71421 10.99254 68.25095 18.65684 -10.53674      21.65441 
1 1 1 23  12 1  o 176.6098 5.840844 2711.929       176.1539 2651.091       228.4149 2801.217       276.7144 173.4632 7.711078 176.9586 9.188723 -3.495392      11.99555 
1 1 1 23  12 2  o 85.67411 6.789515 647.1327       98.51881 633.4686       120.6088 674.5311       170.7858 84.00605 8.525614 84.69287 12.15734 -0.6868210     14.84880 
1 1 1 23  12 3  o 21.03112 9.470160 -28.08714      71.55396 -47.92987      82.02158 35.11012       146.3783 21.50051 9.858290 33.80428 14.40829 -12.30376      17.45808 
1 1 1 23  12 4  o 94.23171 5.933886 778.8664       94.99798 752.4077       127.6943 811.6604       142.1622 91.48428 8.262965 94.67210 8.897866 -3.187820      12.14284 
1 1 1 23  12 5  o 19.19768 8.863022 -46.50759      67.90035 -55.90960      82.57842 -26.88209      119.3072 21.07431 9.745098 27.49518 12.31668 -6.420874      15.70566 
1 1 1 23  12 6  f 51.42987 9.047937 245.1020       76.56195 217.8642       98.88565 285.8668       120.9733 47.14496 12.19194 53.54408 13.29222 -6.399120      18.03681 
1 1 1 23  12 7  o 18.64519 8.670610 -51.31169      66.77612 -38.26128      83.60038 -74.31290      110.9868 22.09514 10.06293 24.01669 11.17178 -1.921545      15.03566 
1 1 1 23  12 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  13 0  o 118.6442 6.666215 1239.070       134.5130 1200.105       162.4056 1324.201       240.0502 115.8336 8.264641 118.8275 11.99408 -2.993912      14.56579 
1 1 1 23  13 1  o 52.27990 9.553550 253.9924       82.14769 203.0999       96.59426 386.9928       156.1532 45.72199 12.16030 61.78349 14.96004 -16.06149      19.27889 
1 1 1 23  13 2  o 42.18771 10.91557 170.6200       79.23814 154.8982       92.60551 213.5926       153.1022 40.12756 12.32616 46.31816 15.96374 -6.190601      20.16867 
1 1 1 23  13 3  o 25.80454 10.56555 30.16116       74.13457 24.72848       85.68617 46.33376       147.8407 26.74576 11.19181 34.19607 14.52536 -7.450314      18.33692 
1 1 1 23  13 4  o 60.01242 8.659924 330.2577       86.17953 297.3416       102.3199 410.6093       159.8648 55.68524 11.14904 63.14798 15.04006 -7.462742      18.72177 
1 1 1 23  13 5  o 66.32958 7.859212 398.9388       87.28878 362.8335       107.3584 469.3596       149.9342 61.82969 10.54640 68.65575 13.26871 -6.826069      16.94949 
1 1 1 23  13 6  o 49.57014 9.924637 233.7675       81.08063 289.9180       99.35438 121.8135       140.2910 54.75650 11.00723 38.08812 14.88678 16.66839       18.51419 
1 1 1 23  14 0  o 23.58653 10.42822 -12.75492      82.70897 13.92777       101.1268 -66.66454      143.7423 27.68739 11.89276 28.15843 12.96242 -0.4710350     17.59153 
1 1 1 23  14 1  o 45.41136 10.43812 197.4099       79.24942 146.0660       93.17160 331.7433       150.7061 38.93731 12.42298 56.37355 15.27497 -17.43624      19.68896 
1 1 1 23  14 2  o 36.97515 12.13545 129.9238       88.53125 151.5444       108.1950 86.11797       154.0068 39.64473 13.42492 36.68917 15.14846 2.955555       20.24116 
1 1 1 23  14 3  o 35.15287 11.62485 116.4680       81.18169 109.6971       90.26276 145.1295       185.7105 34.71144 12.23893 41.58097 16.83575 -6.869534      20.81427 
1 1 1 23  14 4  o 27.81908 10.93387 52.19584       76.03093 66.70161       87.92122 9.181637       151.4012 30.24533 11.79515 31.94289 14.11661 -1.697559      18.39577 
1 1 1 23  15 0  o 79.72350 8.047772 578.7961       108.0635 420.5969       128.1579 967.9901       201.0140 65.48514 11.89871 99.76422 12.04272 -34.27908      16.92945 
1 1 1 23  15 1  o 51.48434 11.12537 259.7728       94.95702 370.1837       115.3030 27.05433       167.3979 61.54848 11.38987 33.89183 14.91711 27.65664       18.76831 
1 1 1 23  15 2  o 25.48426 11.38021 -15.95096      101.0073 83.67878       120.2213 -255.0824      186.2538 33.85937 13.60304 26.10697 12.74419 7.752401       18.64020 
1 1 1 24  0  0  o 67.76225 11.99138 430.7825       125.7937 430.7825       125.7937 430.7825       125.7937 67.76225 11.99138 67.76225 11.99138 0.000000       0.000000 
1 1 1 24  0  1  o 20.29250 13.01096 5.528170       102.0641 5.528170       102.0641 5.528170       102.0641 20.29250 13.01096 20.29250 13.01096 0.000000       0.000000 
1 1 1 24  0  2  o 182.3086 7.757484 2868.918       240.5127 2868.918       240.5127 2868.918       240.5127 182.3086 7.757484 182.3086 7.757484 0.000000       0.000000 
1 1 1 24  0  3  o 79.58693 10.73966 575.4933       138.4799 575.4933       138.4799 575.4933       138.4799 79.58693 10.73966 79.58693 10.73966 0.000000       0.000000 
1 1 1 24  0  4  o 98.56001 10.19519 865.5880       167.3872 865.5880       167.3872 865.5880       167.3872 98.56001 10.19519 98.56001 10.19519 0.000000       0.000000 
1 1 1 24  0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  0  7  o 105.6209 8.850328 984.4166       157.0501 984.4166       157.0501 984.4166       157.0501 105.6209 8.850328 105.6209 8.850328 0.000000       0.000000 
1 1 1 24  0  8  o 79.81074 12.18140 593.4887       154.5408 593.4887       154.5408 593.4887       154.5408 79.81074 12.18140 79.81074 12.18140 0.000000       0.000000 
1 1 1 24  0  9  o 26.22426 14.96017 81.74072       105.0734 81.74072       105.0734 81.74072       105.0734 26.22426 14.96017 26.22426 14.96017 0.000000       0.000000 
1 1 1 24  0  10 f 20.62737 12.98455 22.42838       96.32392 22.42838       96.32392 22.42838       96.32392 20.62737 12.98455 20.62737 12.98455 0.000000       0.000000 
1 1 1 24  0  11 o 155.3429 7.754035 2108.581       204.5246 2108.581       204.5246 2108.581       204.5246 155.3429 7.754035 155.3429 7.754035 0.000000       0.000000 
1 1 1 24  0  12 o 103.1951 8.455976 945.6325       146.7113 945.6325       146.7113 945.6325       146.7113 103.1951 8.455976 103.1951 8.455976 0.000000       0.000000 
1 1 1 24  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  1  0  o 81.95699 7.253538 582.8799       100.4683 549.9825       130.2024 631.2939       157.9516 79.04671 9.860098 84.42022 11.23562 -5.373505      14.94860 
1 1 1 24  1  1  o 170.9055 5.589663 2507.156       163.1337 2514.050       221.8825 2499.044       240.6732 170.7565 7.609285 170.0925 8.285920 0.6640472      11.24979 
1 1 1 24  1  2  o 178.4616 5.553430 2735.053       169.2419 2341.038       239.7923 3126.136       238.8986 164.2392 8.579587 190.3840 7.348206 -26.14474      11.29626 
1 1 1 24  1  3  o 118.8372 5.567635 1213.694       112.9862 1319.243       165.6993 1121.972       154.4647 123.2453 7.915004 113.5932 8.014382 9.652077       11.26400 
1 1 1 24  1  4  o 153.7069 5.769250 2033.576       151.4310 2082.672       221.0010 1990.125       207.9096 154.6414 8.400384 151.2690 8.077865 3.372421       11.65411 
1 1 1 24  1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  1  7  o 36.82822 12.19851 117.4520       89.37843 136.6691       115.9912 89.36365       140.2311 40.15463 13.89177 37.89822 14.86387 2.256405       20.34492 
1 1 1 24  1  8  o 89.66280 6.550672 700.9315       99.60561 685.9127       141.3800 715.7328       140.3528 87.66778 9.600760 89.68891 9.299033 -2.021133      13.36587 
1 1 1 24  1  9  o 35.93402 11.44819 115.2798       79.14542 99.88676       111.9946 130.6366       111.8625 36.29728 13.51037 39.10089 13.63575 -2.803608      19.19541 
1 1 1 24  1  10 o 21.01523 9.568894 -41.18965      75.53809 -121.3440      115.8055 18.17003       99.65780 23.20745 10.98749 28.40338 11.98755 -5.195932      16.26118 
1 1 1 24  1  11 o 40.23417 12.88376 150.4308       100.1415 135.1188       104.1587 337.5251       364.0916 38.76324 13.17191 58.74532 23.64752 -19.98208      27.06851 
1 1 1 24  1  12 o 33.75681 10.77801 103.2781       70.12104 140.1130       100.4814 68.31067       97.90114 39.02423 12.93441 31.94074 12.44930 7.083490       17.95227 
1 1 1 24  1  13 f 30.12443 10.67829 75.49948       68.79888 60.70391       97.00381 90.47485       97.59148 31.05676 12.30430 33.75751 12.60250 -2.700748      17.61303 
1 1 1 24  2  0  o 199.8264 5.700021 3427.834       194.5052 3642.737       270.6053 3198.133       279.7673 205.5372 7.709817 192.3788 8.516046 13.15842       11.48757 
1 1 1 24  2  1  o 133.5069 5.431962 1529.722       123.8405 1443.249       168.6826 1630.825       182.3936 129.1260 7.684607 137.2573 7.813982 -8.131241      10.95954 
1 1 1 24  2  2  o 84.51659 6.742407 619.0871       96.50050 616.7952       137.6528 621.3020       135.3217 83.67303 9.820540 84.03760 9.601939 -0.3645630     13.73464 
1 1 1 24  2  3  o 169.5716 5.548162 2471.722       160.6587 2491.848       230.2325 2452.621       224.2953 169.6637 7.946498 168.3646 7.801310 1.299103       11.13585 
1 1 1 24  2  4  o 84.35569 6.874564 618.7469       98.16753 703.6124       164.5423 571.8454       122.3223 88.78585 11.09474 80.53436 9.051310 8.251488       14.31850 
1 1 1 24  2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  2  6  o 39.59965 12.34168 140.3200       92.45820 219.9844       120.7027 27.20674       143.8274 48.64694 13.85919 34.25489 14.42609 14.39205       20.00473 
1 1 1 24  2  7  o 52.69952 9.692290 251.7824       84.00967 182.7229       120.5402 317.0092       117.1476 44.73682 14.11513 58.50782 12.12358 -13.77100      18.60694 
1 1 1 24  2  8  o 35.21249 11.31529 109.4964       77.19162 166.4590       112.5685 58.93645       106.0535 42.75893 13.65637 32.42065 12.85887 10.33828       18.75759 
1 1 1 24  2  9  o 64.08566 8.249317 366.0710       88.18173 333.8399       124.3769 398.6473       125.0414 59.58912 12.61581 65.68752 11.56993 -6.098400      17.11788 
1 1 1 24  2  10 o 39.78421 13.32285 142.6042       106.5442 190.8141       114.5203 -167.7709      290.5750 44.88010 13.69346 38.37520 17.92609 6.504894       22.55783 
1 1 1 24  2  11 o 47.29704 9.370766 206.3304       73.00923 230.1922       104.5760 183.6411       101.9745 48.96517 12.47224 43.84370 12.81387 5.121468       17.88161 
1 1 1 24  2  12 o 65.68858 7.154116 383.5033       78.95289 485.9083       112.8236 285.2294       110.5244 73.14185 9.239090 54.55913 12.17211 18.58272       15.28139 
1 1 1 24  2  13 o 24.74632 10.06993 27.80208       66.82228 -18.34272      93.63344 75.69757       95.39308 24.88443 11.04413 32.19766 12.35961 -7.313231      16.57507 
1 1 1 24  3  0  o 112.1673 6.011457 1083.915       114.7267 1061.633       156.7698 1109.608       168.3441 110.5432 8.366761 112.9258 8.799230 -2.382523      12.14204 
1 1 1 24  3  1  o 322.4095 7.119401 8958.827       391.9704 9329.396       553.1982 8585.211       555.4684 327.5954 9.888742 313.9855 10.35972 13.60989       14.32169 
1 1 1 24  3  2  o 131.0777 5.793405 1477.101       129.6775 1351.036       186.7591 1594.467       180.2001 124.4972 8.842072 135.5896 7.815759 -11.09241      11.80120 
1 1 1 24  3  3  o 73.84473 7.506100 476.3859       93.33749 524.9082       137.3272 434.7257       127.2467 76.68437 10.78497 69.57671 11.08149 7.107666       15.46334 
1 1 1 24  3  4  o 88.89504 7.397573 689.0695       111.2774 620.2594       166.9362 744.0937       149.2800 82.84187 12.16260 91.74549 9.674136 -8.903618      15.54084 
1 1 1 24  3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  3  6  o 76.04679 7.099009 505.8638       91.12327 512.0541       133.9110 500.5254       124.3545 75.41045 10.69878 74.78664 9.986740 0.6238022      14.63553 
1 1 1 24  3  7  o 43.68318 10.48802 175.7755       77.24788 280.7009       116.1251 92.49113       103.4588 54.77784 12.66693 35.15142 13.00477 19.62642       18.15420 
1 1 1 24  3  8  o 40.81463 11.55190 153.9992       84.14293 25.70905       114.6830 303.5832       123.8354 30.83275 12.92788 56.73149 13.05384 -25.89874      18.37206 
1 1 1 24  3  9  f 55.51672 8.766463 277.9533       80.35072 414.8137       120.9497 169.8355       107.5015 67.23557 10.90805 42.77519 13.30403 24.46038       17.20415 
1 1 1 24  3  10 o 90.00927 5.936085 706.9701       90.72860 794.0016       136.1556 637.4603       121.6804 94.36184 8.542232 84.47115 8.553398 9.890694       12.08844 
1 1 1 24  3  11 o 20.45905 9.163326 -23.63952      66.00854 14.16496       91.21892 -65.19569      95.63813 26.90295 11.41773 22.70678 10.49556 4.196177       15.50875 
1 1 1 24  3  12 o 42.84163 10.52154 173.2719       76.41402 248.4707       102.5787 79.51445       114.5394 50.87346 12.00180 34.18539 13.42520 16.68807       18.00775 
1 1 1 24  3  13 o 65.39167 7.598866 383.8536       83.27203 275.8416       129.1865 460.6334       108.9192 52.42922 14.11574 70.94701 9.207268 -18.51779      16.85312 
1 1 1 24  4  0  o 51.15141 10.58485 236.0016       89.40990 142.4777       117.1181 366.6505       138.4254 41.33969 13.96771 63.42789 13.20919 -22.08819      19.22445 
1 1 1 24  4  1  o 172.7982 5.706947 2566.131       168.4011 2650.636       237.4994 2480.685       238.8163 175.0885 7.943335 169.2962 8.260662 5.792282       11.46015 
1 1 1 24  4  2  o 39.30392 12.28931 135.9403       91.59170 14.80268       121.6484 294.4955       139.1738 31.36131 13.24055 56.37329 14.40398 -25.01198      19.56494 
1 1 1 24  4  3  o 131.0906 5.300814 1477.844       118.6632 1327.679       180.5257 1592.086       157.4594 123.2432 8.632262 135.5807 6.822752 -12.33744      11.00299 
1 1 1 24  4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  4  5  f 156.5289 5.711053 2113.011       152.6555 2263.455       234.5494 2002.449       201.0717 160.7940 8.573004 151.5408 7.796385 9.253204       11.58792 
1 1 1 24  4  6  o 17.30790 8.506757 -174.9122      87.40259 -131.3188      128.7864 -212.1348      119.0042 24.76006 11.68116 20.80750 10.16375 3.952562       15.48390 
1 1 1 24  4  7  o 71.30880 9.831792 457.3992       116.5392 423.1360       128.6891 613.5804       274.7531 67.91882 11.50639 77.42748 20.46887 -9.508667      23.48131 
1 1 1 24  4  8  o 64.69127 7.525768 370.2269       81.58405 315.4257       124.5393 411.4232       107.9792 57.80335 12.93939 67.53383 9.636307 -9.730480      16.13339 
1 1 1 24  4  9  o 123.3199 5.101663 1314.425       107.4353 1223.003       165.5463 1380.945       141.2117 117.5224 8.302332 125.7278 6.600224 -8.205345      10.60621 
1 1 1 24  4  10 o 94.52560 5.745188 779.1399       92.29778 666.2763       132.7820 884.6548       128.3865 85.98708 9.184931 99.99790 7.574647 -14.01083      11.90539 
1 1 1 24  4  11 o 128.6759 5.146225 1435.581       113.0806 1395.279       168.4258 1468.658       152.5851 125.3440 7.909267 129.1764 6.942613 -3.832382      10.52409 
1 1 1 24  4  12 o 57.13735 8.666492 297.5285       81.90652 264.3668       107.4585 343.5064       126.5310 52.29596 12.24810 59.48260 12.83352 -7.186646      17.74022 
1 1 1 24  4  13 o 86.68713 6.100329 661.2988       89.72891 781.3483       127.7131 544.2736       126.0941 93.24134 8.101457 76.78577 9.842982 16.45557       12.74825 
1 1 1 24  5  0  o 220.8756 6.291337 4198.995       237.2972 4414.260       329.2835 3966.413       342.2709 225.7080 8.543210 213.6310 9.382181 12.07700       12.68904 
1 1 1 24  5  1  f 77.95538 7.497990 530.0617       98.58308 467.2807       138.1750 595.1528       140.6942 72.06687 11.62316 81.92895 10.28279 -9.862076      15.51881 
1 1 1 24  5  2  o 49.70821 11.31380 225.9654       93.87933 250.1120       124.0719 193.6257       143.5865 51.96292 13.76354 46.88047 15.45814 5.082451       20.69757 
1 1 1 24  5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  5  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  5  5  o 61.82182 8.253731 339.1481       84.95913 403.5831       125.0161 283.8520       115.8118 66.50665 11.41910 55.22071 12.56434 11.28595       16.97817 
1 1 1 24  5  6  o 94.35704 6.035826 773.4003       96.74566 878.2237       143.9807 687.1158       130.6296 99.75267 8.534524 88.05752 8.805101 11.69515       12.26246 
1 1 1 24  5  7  o 73.44081 6.941289 473.3675       86.02006 474.3878       129.3307 472.5580       115.1942 72.17105 10.82798 72.52770 9.531742 -0.3566513     14.42565 
1 1 1 24  5  8  o 121.8371 5.042019 1281.842       104.9026 1254.073       159.1667 1303.167       139.4835 119.3221 7.855337 122.1451 6.712967 -2.823006      10.33297 
1 1 1 24  5  9  o 116.5808 5.189778 1176.362       103.3184 1125.979       153.5227 1218.072       139.6843 112.7450 8.026357 117.7987 6.974990 -5.053703      10.63357 
1 1 1 24  5  10 o 84.10965 6.155862 620.1304       87.80297 587.0883       124.7253 652.5928       123.6263 80.54140 9.235373 85.26704 8.608237 -4.725647      12.62513 
1 1 1 24  5  11 f 123.8523 5.124378 1330.490       108.3795 1324.898       161.0865 1335.115       146.4941 122.1452 7.763212 123.0581 7.000142 -0.9128418     10.45320 
1 1 1 24  5  12 o 101.1708 5.535839 894.4440       95.27757 802.9670       138.1564 977.4073       131.5704 94.27791 8.678867 104.8477 7.395902 -10.56977      11.40272 
1 1 1 24  6  0  o 35.52643 12.79068 96.25363       99.07678 252.5273       119.0551 -255.7544      178.6822 52.33408 13.29536 27.05627 13.03370 25.27781       18.61838 
1 1 1 24  6  1  o 105.3108 6.647476 961.3973       118.9315 867.4724       155.9810 1091.834       183.8148 99.28475 9.308663 111.3233 9.767972 -12.03857      13.49313 
1 1 1 24  6  2  o 59.17849 11.54601 319.9895       112.4910 322.1424       127.6910 312.5270       237.7316 58.95459 13.03028 58.28775 19.89915 0.6668396      23.78580 
1 1 1 24  6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  6  4  o 137.2691 7.295124 1641.575       170.3905 1746.799       204.6123 1403.524       307.7576 141.1019 8.531863 123.0362 14.95540 18.06577       17.21791 
1 1 1 24  6  5  o 127.4689 5.376211 1402.043       117.0260 1304.401       174.1413 1482.452       158.0290 121.7560 8.427310 130.3739 7.125111 -8.617966      11.03570 
1 1 1 24  6  6  o 29.27831 11.40316 51.88055       82.09201 81.69389       109.3788 13.42519       124.2243 34.55228 13.24148 31.07322 13.25945 3.479057       18.73899 
1 1 1 24  6  7  o 63.26350 7.620968 354.9886       80.67450 303.1720       110.5818 413.9472       117.9569 56.98663 11.75370 67.29932 10.61575 -10.31269      15.83804 
1 1 1 24  6  8  o 62.59259 7.365166 347.7997       77.21804 333.8315       110.1748 361.2857       108.2561 59.88852 11.18431 62.65186 10.48931 -2.763340      15.33344 
1 1 1 24  6  9  o 50.47834 8.754176 232.5070       72.72550 124.3999       103.7403 336.9785       101.9810 37.61529 13.13061 60.37837 10.25791 -22.76308      16.66246 
1 1 1 24  6  10 o 135.3055 5.154099 1588.108       119.0886 1749.412       187.4204 1478.883       154.2248 140.3692 7.850310 129.5432 6.997644 10.82610       10.51639 
1 1 1 24  6  11 o 72.83144 6.912478 470.7147       84.94141 439.0526       116.1027 507.1792       124.5972 68.84001 10.18375 74.10979 10.10905 -5.269775      14.34928 
1 1 1 24  6  12 o 27.72457 10.71796 52.30348       72.10622 -11.14256      93.58902 144.9756       113.1090 25.23016 11.12702 39.44172 13.71394 -14.21156      17.66020 
1 1 1 24  7  0  o 61.67449 10.28556 342.3241       104.5114 404.1863       127.1488 213.4764       183.5007 66.72961 11.57795 49.84388 17.45983 16.88573       20.94981 
1 1 1 24  7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  7  3  o 161.7355 5.227298 2254.208       144.3725 2196.860       217.3518 2299.488       193.1342 158.4747 8.058133 162.7790 6.947983 -4.304321      10.63992 
1 1 1 24  7  4  o 121.8420 5.509163 1281.917       114.6263 1366.950       169.4384 1210.160       155.6501 124.8122 7.991713 117.4826 7.802814 7.329605       11.16922 
1 1 1 24  7  5  o 99.04778 5.726432 851.5133       96.44373 957.2473       143.3318 764.0359       130.3716 104.2071 8.118653 92.96602 8.299417 11.24111       11.61003 
1 1 1 24  7  6  o 137.1406 5.168801 1624.629       121.0480 1508.095       174.6780 1732.293       167.8987 130.9310 7.848777 140.9442 6.975871 -10.01312      10.50076 
1 1 1 24  7  7  o 49.10200 9.879631 222.5060       79.97134 140.5225       101.9750 353.4713       128.8869 39.38735 13.02900 60.98234 12.78525 -21.59499      18.25425 
1 1 1 24  7  8  o 76.65741 6.460052 516.7012       83.77717 549.9585       118.4908 483.4573       118.4669 78.05175 9.058393 72.80215 9.776104 5.249603       13.32767 
1 1 1 24  7  9  o 109.7598 5.147484 1045.075       96.48066 840.3138       144.0979 1211.457       129.8935 96.61208 8.831916 117.4608 6.501091 -20.84872      10.96663 
1 1 1 24  7  10 o 121.4891 5.161245 1281.606       107.0764 1144.337       157.9755 1398.265       145.6340 113.0893 8.236863 125.9633 6.795583 -12.87402      10.67829 
1 1 1 24  7  11 o 79.19352 6.532150 555.1281       87.54976 648.1024       122.0380 456.5375       125.6700 84.57641 8.567986 69.59451 10.93495 14.98190       13.89185 
1 1 1 24  8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  8  2  o 33.17852 12.18150 82.71732       90.48824 99.05299       113.4457 54.14752       150.0283 36.50176 13.59541 36.28198 14.96306 0.2197838      20.21703 
1 1 1 24  8  3  o 71.24207 7.647977 447.9230       91.58733 537.7346       129.0246 356.7074       130.0293 77.30050 10.00941 61.72641 12.75755 15.57409       16.21552 
1 1 1 24  8  4  o 45.76479 10.74463 194.4333       82.53393 266.6651       102.1150 58.34826       140.1621 53.50011 11.51799 35.43951 14.52110 18.06060       18.53447 
1 1 1 24  8  5  o 51.56794 9.013229 241.4224       76.48153 269.6426       104.2591 208.5430       112.5371 53.64256 11.71013 46.86519 13.39281 6.777367       17.79029 
1 1 1 24  8  6  o 70.56205 7.174039 440.2028       85.24214 439.6711       114.2373 440.8707       128.0414 69.47729 9.909388 68.97311 11.25953 0.5041809      14.99910 
1 1 1 24  8  7  o 43.93725 10.40929 181.2261       76.90186 294.6342       100.9903 24.71217       118.6408 56.08256 10.93793 30.75054 13.03432 25.33202       17.01563 
1 1 1 24  8  8  o 110.0751 5.498042 1053.632       103.3473 1013.666       146.4743 1093.251       145.8380 106.5694 8.109581 110.8999 7.749550 -4.330467      11.21699 
1 1 1 24  8  9  o 41.89317 10.75832 166.7684       77.36480 107.8214       98.31006 262.6538       125.3845 35.46983 12.74417 51.42318 13.93239 -15.95335      18.88188 
1 1 1 24  8  10 o 114.6843 5.431081 1146.436       106.3633 1096.388       151.1919 1195.475       149.6608 110.5486 8.064537 115.7575 7.613545 -5.208878      11.09066 
1 1 1 24  9  0  o 97.28223 7.567108 829.3986       124.7196 771.2602       146.8215 980.0820       236.3693 93.15797 9.355696 102.9407 13.79312 -9.782707      16.66671 
1 1 1 24  9  1  o 80.86492 8.405307 579.2200       114.3729 624.6797       134.8459 462.6708       215.9131 83.55704 9.626485 68.11128 18.21132 15.44576       20.59907 
1 1 1 24  9  2  o 59.17482 8.936355 314.9806       87.48905 274.0291       107.4956 395.3341       150.5769 54.12962 11.94903 64.39104 14.08587 -10.26143      18.47136 
1 1 1 24  9  3  o 106.5732 5.845214 987.2177       105.9716 964.8948       142.7763 1014.600       158.1301 104.5313 8.060713 106.9001 8.738734 -2.368767      11.88867 
1 1 1 24  9  4  o 34.28529 11.35956 103.2999       77.50510 191.9313       96.08037 -61.82014      131.1417 45.06562 12.19033 27.67091 12.60278 17.39471       17.53380 
1 1 1 24  9  5  o 109.6360 5.402049 1042.050       101.1378 1173.140       147.6951 926.3054       138.7816 115.2804 7.544153 102.1628 8.019380 13.11770       11.01021 
1 1 1 24  9  6  o 82.74908 6.636559 603.1650       92.99048 644.4186       123.0323 548.1966       142.0184 84.67898 8.628846 76.77208 11.15953 7.906898       14.10646 
1 1 1 24  9  7  o 54.98315 8.301287 274.4227       75.51571 245.3289       103.5282 307.5024       110.3927 50.40006 12.16718 56.73420 11.77982 -6.334145      16.93530 
1 1 1 24  9  8  f 21.09813 9.467705 -24.86193      70.82627 -60.18267      87.96104 40.25957       119.4367 21.71783 10.04795 31.59466 13.21646 -9.876829      16.60230 
1 1 1 24  9  9  o 43.23367 10.34840 177.9945       75.38361 144.2519       98.77276 225.0681       116.6641 38.99082 12.81920 47.46215 13.65837 -8.471333      18.73187 
1 1 1 24  9  10 o 79.05606 7.495062 560.7337       99.97507 565.8786       119.8296 548.9504       181.3459 78.54509 9.102671 73.29591 14.99404 5.249176       17.54081 
1 1 1 24  10 0  o 140.8906 6.220122 1722.829       149.6521 1747.360       185.5823 1677.219       253.0554 141.0726 7.733042 136.3333 10.96223 4.739273       13.41530 
1 1 1 24  10 1  o 57.75180 10.18170 305.5974       96.74315 307.5363       105.6054 295.4780       241.2594 57.58294 11.14248 55.47231 19.96081 2.110630       22.86020 
1 1 1 24  10 2  o 89.45947 7.223452 704.3867       109.4090 749.4496       128.1779 583.4202       210.0082 91.88171 8.257426 76.73580 16.51559 15.14590       18.46482 
1 1 1 24  10 3  o 86.16827 6.637146 651.8508       96.91134 680.6434       124.7888 608.0974       153.8298 87.32452 8.475027 81.08884 11.42584 6.235680       14.22589 
1 1 1 24  10 4  o 51.80392 9.610233 247.5713       81.88531 207.6535       101.7172 321.0796       138.0319 46.47656 12.53061 57.12785 14.20830 -10.65129      18.94445 
1 1 1 24  10 5  o 92.58345 6.019880 751.1447       94.65794 736.5256       128.5071 768.4851       139.9579 90.59024 8.402634 92.22418 9.001676 -1.633942      12.31399 
1 1 1 24  10 6  o 14.99824 7.378876 -132.2207      66.29733 -127.7648      80.68176 -141.4843      116.3314 17.60693 8.547923 22.28184 10.67705 -4.674908      13.67722 
1 1 1 24  10 7  o 33.76678 10.63192 105.2316       68.41891 63.36588       92.94421 154.7530       101.0856 30.82539 12.09743 40.26120 12.94982 -9.435806      17.72134 
1 1 1 24  10 8  o 75.91815 6.758274 512.4567       86.69973 523.7996       116.7227 498.4962       129.4932 75.49929 9.246647 72.76120 10.74517 2.738091       14.17600 
1 1 1 24  10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  11 0  o 94.92623 6.905443 791.3956       111.1715 706.2628       130.1435 1021.215       213.8292 88.92923 8.680594 105.0515 12.14343 -16.12231      14.92701 
1 1 1 24  11 1  o 105.4991 6.561769 975.3707       117.6292 898.5253       139.7341 1162.272       217.9212 100.5121 8.212841 112.3407 11.52262 -11.82864      14.14997 
1 1 1 24  11 2  o 63.35158 9.007653 364.5961       94.70309 368.8581       108.2039 350.6425       195.7847 63.12475 10.40013 58.06061 17.93710 5.064140       20.73408 
1 1 1 24  11 3  o 85.20691 6.452619 639.2155       93.19209 596.0875       122.2010 699.1607       144.0696 81.13779 8.969620 87.47022 9.814487 -6.332428      13.29580 
1 1 1 24  11 4  o 54.25338 9.364494 272.0370       83.62313 307.7009       102.9071 202.7043       143.4826 57.04168 10.96284 45.53033 15.45974 11.51135       18.95224 
1 1 1 24  11 5  o 35.30955 11.35026 115.4721       77.66464 105.1086       93.54311 138.4664       139.3379 34.82367 12.43988 40.01883 15.03527 -5.195160      19.51435 
1 1 1 24  11 6  o 22.40403 10.01423 -21.94116      78.41390 -196.7946      106.4027 185.9019       116.0067 19.13498 9.400934 43.43707 13.86235 -24.30209      16.74940 
1 1 1 24  11 7  o 51.45923 9.096211 246.5756       77.00916 146.9073       100.7590 386.5757       119.4178 39.08627 12.95213 63.37684 11.45573 -24.29057      17.29137 
1 1 1 24  12 0  o 30.29889 11.45029 67.39026       81.07484 30.34517       89.85159 229.7059       188.0791 27.89413 11.54825 48.71210 17.61082 -20.81797      21.05951 
1 1 1 24  12 1  o 40.51085 11.67762 156.8578       85.21554 176.2983       95.54171 81.22491       188.4492 42.73022 12.37871 39.33740 16.53690 3.392818       20.65676 
1 1 1 24  12 2  o 62.61229 8.952033 358.8709       92.99100 309.2647       105.9084 525.8305       194.2978 56.95631 11.28793 71.19140 16.32963 -14.23509      19.85130 
1 1 1 24  12 3  o 81.93950 7.257831 598.7635       100.5044 548.2543       118.5912 727.5131       189.3389 77.42847 9.145707 86.45667 13.24660 -9.028198      16.09709 
1 1 1 24  12 4  o 51.22722 9.559696 245.2982       80.55113 277.3131       100.3100 187.1697       135.1644 53.71465 11.29409 43.69718 15.00292 10.01747       18.77882 
1 1 1 24  12 5  o 50.10612 9.574550 235.9461       78.93713 156.6534       99.00501 374.3077       130.7821 40.11160 12.80686 61.47640 12.87050 -21.36480      18.15669 
1 1 1 24  12 6  o 35.41167 11.28659 119.0414       76.92052 71.46404       93.08488 221.4800       136.5874 31.21899 12.14721 46.29071 15.06768 -15.07171      19.35432 
1 1 1 24  13 0  o 56.04242 11.00908 299.6969       101.5999 247.4817       118.9759 440.3258       195.2531 49.66121 13.62045 63.79976 17.42814 -14.13855      22.11914 
1 1 1 24  13 1  o 58.67166 9.762988 321.3424       94.37930 331.0668       103.2339 271.8397       232.9195 59.13514 10.61291 50.94678 19.37067 8.188366       22.08748 
1 1 1 24  13 2  o 35.25307 11.63011 115.7184       81.27301 75.45659       91.86453 260.7412       174.3490 31.62856 12.13178 49.73584 17.04093 -18.10728      20.91825 
1 1 1 24  13 3  o 40.74460 11.73083 162.4866       86.04061 209.9961       95.41096 -44.37090      199.0873 46.10076 12.00218 33.74684 15.43122 12.35392       19.54929 
1 1 1 24  13 4  o 57.48324 8.816744 306.4430       83.78474 227.4150       102.9126 461.7915       144.2884 47.61735 12.49814 68.10317 12.87866 -20.48582      17.94613 
1 1 1 24  14 0  o 45.48861 12.58016 207.0578       101.0053 221.1867       113.9046 155.0609       218.5122 46.62975 13.51825 43.43239 17.99737 3.197365       22.50886 
1 1 1 24  14 1  o 67.04372 8.332846 412.2246       93.34328 346.7639       107.9434 606.3029       185.8635 59.96320 10.94496 76.52440 14.75791 -16.56120      18.37357 
1 1 1 24  14 2  o 35.10886 11.57234 117.3835       80.47414 114.3740       92.40135 126.8355       163.7565 35.12834 12.38338 39.24096 15.83697 -4.112614      20.10367 
1 1 1 25  0  0  o 128.1295 8.767003 1431.728       189.7619 1431.728       189.7619 1431.728       189.7619 128.1295 8.767003 128.1295 8.767003 0.000000       0.000000 
1 1 1 25  0  1  o 17.11657 11.86564 -98.77218      120.1473 -98.77218      120.1473 -98.77218      120.1473 17.11657 11.86564 17.11657 11.86564 0.000000       0.000000 
1 1 1 25  0  2  o 17.36762 11.93919 -78.97939      115.5743 -78.97939      115.5743 -78.97939      115.5743 17.36762 11.93919 17.36762 11.93919 0.000000       0.000000 
1 1 1 25  0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  0  5  o 38.25711 17.18803 187.6944       120.0218 187.6944       120.0218 187.6944       120.0218 38.25711 17.18803 38.25711 17.18803 0.000000       0.000000 
1 1 1 25  0  6  o 315.9500 10.05231 8704.480       541.1147 8704.480       541.1147 8704.480       541.1147 315.9500 10.05231 315.9500 10.05231 0.000000       0.000000 
1 1 1 25  0  7  o 101.5771 10.20574 924.7299       172.9298 924.7299       172.9298 924.7299       172.9298 101.5771 10.20574 101.5771 10.20574 0.000000       0.000000 
1 1 1 25  0  8  o 67.67332 12.42220 439.1920       129.2773 439.1920       129.2773 439.1920       129.2773 67.67332 12.42220 67.67332 12.42220 0.000000       0.000000 
1 1 1 25  0  9  o 14.78928 10.36761 -98.51234      99.03333 -98.51234      99.03333 -98.51234      99.03333 14.78928 10.36761 14.78928 10.36761 0.000000       0.000000 
1 1 1 25  0  10 o 15.42318 10.89749 -133.0770      116.3348 -133.0770      116.3348 -133.0770      116.3348 15.42318 10.89749 15.42318 10.89749 0.000000       0.000000 
1 1 1 25  0  11 o 31.38904 15.93419 133.2385       106.7608 133.2385       106.7608 133.2385       106.7608 31.38904 15.93419 31.38904 15.93419 0.000000       0.000000 
1 1 1 25  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  1  0  o 107.0622 6.251548 989.5822       113.7978 1209.403       166.6295 797.4410       155.7858 117.9212 8.328368 95.28601 9.709748 22.63518       12.79222 
1 1 1 25  1  1  o 125.0775 6.338935 1350.982       134.9511 1322.332       178.9844 1388.728       205.4379 123.1705 8.562778 125.9052 9.628083 -2.734627      12.88492 
1 1 1 25  1  2  o 154.2995 5.678142 2049.194       149.6141 1975.729       208.8097 2126.701       214.4768 150.6645 8.146189 156.3609 8.059908 -5.696472      11.45960 
1 1 1 25  1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  1  5  o 297.8404 6.808207 7690.123       346.2727 7663.342       490.6057 7716.707       488.8064 295.0052 9.738701 296.0963 9.667230 -1.091125      13.72216 
1 1 1 25  1  6  o 32.98363 12.07761 82.26119       88.86653 163.2543       116.9440 -28.42652      136.7110 42.63661 13.94527 30.22069 13.38195 12.41592       19.32737 
1 1 1 25  1  7  o 135.0738 5.697039 1577.996       131.4082 1504.115       185.3521 1652.660       186.3302 130.6752 8.349824 137.1730 7.989085 -6.497833      11.55617 
1 1 1 25  1  8  o 43.25733 11.88152 175.4307       90.45805 106.4967       118.4368 271.9405       140.1380 37.19168 13.88358 52.98774 14.87695 -15.79605      20.34889 
1 1 1 25  1  9  o 31.21220 11.18915 78.39515       75.74204 39.84887       101.6151 126.5856       113.6180 30.14421 12.35923 38.46301 13.71308 -8.318790      18.46074 
1 1 1 25  1  10 o 136.8206 5.942132 1630.256       138.8339 1594.706       194.5919 1667.114       198.1378 133.6774 8.569551 136.7166 8.529356 -3.039200      12.09079 
1 1 1 25  1  11 o 93.25425 8.840372 783.2130       139.0983 783.2130       139.0983 0.000000       0.000000 93.25425 8.840372 ?        ?        0.000000       8.840372 
1 1 1 25  1  12 o 91.52878 5.985718 735.4763       93.04163 655.9046       134.9139 807.6429       128.4830 84.67764 9.493542 94.93502 7.999875 -10.25739      12.41472 
1 1 1 25  2  0  o 61.38130 9.076191 333.8006       92.26649 273.6836       131.6345 391.8618       129.3642 54.50682 14.05243 65.85134 11.94381 -11.34452      18.44249 
1 1 1 25  2  1  o 196.1381 5.850463 3310.482       195.9540 3455.723       272.0941 3153.989       282.4367 199.7272 7.977742 190.5570 8.679495 9.170212       11.78889 
1 1 1 25  2  2  o 124.2075 5.888140 1329.085       124.8900 1233.887       170.5480 1439.163       183.3930 118.8321 8.459722 128.3963 8.410754 -9.564140      11.92928 
1 1 1 25  2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  2  4  o 117.8417 6.234801 1203.086       125.0189 1257.988       177.1610 1148.625       176.4479 119.6914 8.727839 114.1959 9.124429 5.495483       12.62657 
1 1 1 25  2  5  o 97.27538 6.860654 824.7050       113.2342 755.5590       150.3412 915.3541       172.1376 92.15064 9.699466 101.3601 10.07870 -9.209450      13.98785 
1 1 1 25  2  6  o 66.50748 8.114044 392.1991       90.24248 366.7133       128.7946 416.7774       126.4811 62.79367 12.45085 67.45897 11.38480 -4.665302      16.87120 
1 1 1 25  2  7  o 23.83773 10.34314 -6.114224      78.03414 -174.8912      110.5249 161.6407       110.1898 20.68957 10.03533 42.10667 13.51800 -21.41710      16.83580 
1 1 1 25  2  8  o 55.99070 10.26413 288.2040       94.52199 149.9865       144.8514 390.7058       124.7403 42.21677 15.42550 64.80817 11.70195 -22.59140      19.36186 
1 1 1 25  2  9  o 92.59284 6.093204 749.3049       95.80585 656.0668       144.8244 821.8599       127.7552 84.86700 10.19726 96.28226 7.838202 -11.41527      12.86163 
1 1 1 25  2  10 o 20.86539 9.620084 -53.45472      79.59952 39.72830       107.8855 -164.7868      117.9247 30.63853 12.66685 21.81417 10.52864 8.824358       16.47122 
1 1 1 25  2  11 o 70.80695 7.478182 447.0988       89.05393 428.3850       138.8172 460.1867       116.0907 66.81293 12.62967 70.77502 9.874356 -3.962090      16.03158 
1 1 1 25  2  12 o 85.01353 6.580201 638.7861       94.78364 744.8712       143.9476 557.5844       125.9389 90.26599 9.480129 77.87604 9.678845 12.38995       13.54817 
1 1 1 25  3  0  o 174.3182 5.674459 2612.783       168.9153 2737.542       236.5477 2482.974       241.2875 177.8831 7.787210 169.2453 8.348653 8.637894       11.41668 
1 1 1 25  3  1  o 158.8487 5.777521 2172.062       156.7209 2262.565       213.4559 2066.220       230.8369 161.6064 7.734776 153.8645 8.822303 7.741852       11.73285 
1 1 1 25  3  2  o 123.4083 6.495416 1318.862       136.4023 1335.628       179.6997 1296.070       209.5197 123.5574 8.569773 121.0906 10.22810 2.466820       13.34373 
1 1 1 25  3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  3  4  o 27.85080 11.50676 24.45997       88.94476 89.16793       114.8581 -72.47151      140.5773 35.88911 13.61287 28.68573 13.05853 7.203375       18.86360 
1 1 1 25  3  5  o 47.73875 10.95575 210.3628       87.42038 161.4856       120.5812 264.5179       126.9248 42.63216 14.17100 52.91478 13.87564 -10.28262      19.83307 
1 1 1 25  3  6  o 81.44810 7.076071 581.5073       97.44009 566.1325       136.7125 597.3818       138.9161 79.20974 10.35500 81.45461 10.21142 -2.244873      14.54301 
1 1 1 25  3  7  o 129.6795 5.311140 1453.020       117.6145 1110.886       175.4224 1732.409       158.5225 111.7024 9.280496 141.1555 6.576446 -29.45315      11.37441 
1 1 1 25  3  8  o 61.74421 11.54860 355.5891       117.2901 318.2464       127.1857 567.9373       303.2909 57.66829 13.20022 71.90170 22.34355 -14.23341      25.95149 
1 1 1 25  3  9  o 62.16635 8.343421 347.7914       86.33756 323.9768       126.9302 368.2968       117.7819 57.95579 13.12950 62.69844 11.42149 -4.742649      17.40213 
1 1 1 25  3  10 o 29.60352 11.38307 60.01486       80.99944 54.37896       106.1457 67.87222       125.3311 31.54040 12.74295 34.24024 13.84219 -2.699841      18.81459 
1 1 1 25  3  11 o 103.5608 5.588016 936.4681       98.45650 966.8608       144.7802 910.3210       134.2880 103.9148 8.226108 101.0252 7.845589 2.889572       11.36759 
1 1 1 25  3  12 o 39.49236 11.15227 149.1656       78.51433 153.3462       102.3706 143.1935       122.3550 40.08415 13.04439 39.66003 14.22091 0.4241142      19.29742 
1 1 1 25  4  0  o 120.7086 5.913843 1254.483       121.9018 1121.411       165.9126 1410.594       179.7021 113.2842 8.641658 127.2270 8.317034 -13.94285      11.99380 
1 1 1 25  4  1  o 226.2329 6.081386 4413.220       234.9418 4686.444       337.9287 4157.596       326.8632 232.0356 8.528419 218.4356 8.762754 13.59999       12.22783 
1 1 1 25  4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  4  4  o 89.65299 6.958571 701.5830       105.6989 688.3237       144.0743 717.0379       155.5457 87.88168 9.765471 89.48217 10.37165 -1.600494      14.24554 
1 1 1 25  4  5  o 98.71223 7.008349 851.2582       117.3699 755.8524       167.8129 942.6199       164.2177 91.49471 10.95863 102.9798 9.443454 -11.48504      14.46618 
1 1 1 25  4  6  o 106.3847 5.981689 983.3571       108.2278 1050.675       156.7136 921.9747       149.6453 109.0448 8.482644 102.0312 8.670880 7.013573       12.13010 
1 1 1 25  4  7  o 102.0283 5.888642 905.5858       102.1617 833.8870       152.3750 964.1345       137.6946 96.53557 9.360887 104.5843 7.765317 -8.048775      12.16250 
1 1 1 25  4  8  o 41.37130 10.97177 160.6131       78.78020 86.67067       117.3221 221.3303       106.3136 35.25713 13.65985 48.08169 12.74295 -12.82457      18.68085 
1 1 1 25  4  9  o 79.55887 6.532428 556.9626       87.96591 511.1711       129.1470 596.5933       120.1454 74.52009 10.43482 81.41711 8.780458 -6.897026      13.63752 
1 1 1 25  4  10 o 85.14633 6.426343 637.6649       92.75134 618.3168       127.8881 659.1349       134.7187 82.58259 9.226276 85.18979 9.418114 -2.607201      13.18427 
1 1 1 25  4  11 o 50.26497 9.259687 234.0370       76.55253 282.5428       107.5342 184.1961       109.0041 54.12192 11.95418 43.48462 13.37566 10.63729       17.93909 
1 1 1 25  5  0  o 39.34845 12.84362 134.5841       99.21576 171.0512       124.6265 71.47337       163.9500 44.05369 14.39543 38.95362 15.80232 5.100071       21.37620 
1 1 1 25  5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  5  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  5  3  o 35.52697 12.19831 105.6205       89.35370 89.53557       116.5239 128.5790       139.2119 36.00491 13.69820 40.79111 15.08657 -4.786205      20.37757 
1 1 1 25  5  4  o 86.30939 7.007715 651.5933       102.3930 555.1862       140.8592 759.6157       149.1033 78.32108 10.82088 92.31747 9.598379 -13.99639      14.46445 
1 1 1 25  5  5  o 38.47428 13.09577 128.4478       102.9598 51.08257       114.8280 445.7394       232.5437 32.62595 13.22850 66.32358 19.34064 -33.69763      23.43189 
1 1 1 25  5  6  o 46.62087 10.80030 202.1172       84.29744 110.1100       118.5782 296.1264       119.8613 37.55508 13.91695 55.92936 12.82344 -18.37428      18.92411 
1 1 1 25  5  7  o 64.57545 8.064526 372.4995       86.99123 466.5888       127.3979 290.3064       119.0720 71.24155 10.81150 55.11870 12.88201 16.12284       16.81769 
1 1 1 25  5  8  o 42.57993 10.23637 169.7941       73.51252 188.1747       103.0540 150.7509       104.8952 44.32974 12.86023 40.34110 13.20798 3.988640       18.43465 
1 1 1 25  5  9  o 90.98333 5.840027 723.8763       90.25652 682.8452       132.3438 759.5538       123.4082 86.94160 9.046510 92.32079 7.904057 -5.379181      12.01305 
1 1 1 25  5  10 o 108.4142 5.394168 1022.143       99.86479 830.8552       146.9469 1186.313       136.1326 95.79600 9.091711 115.9385 6.907269 -20.14252      11.41795 
1 1 1 25  5  11 o 108.4807 5.655532 1029.989       104.4050 1069.424       148.9872 991.9387       146.3501 109.1994 8.046314 105.0378 8.224857 4.161591       11.50615 
1 1 1 25  6  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  6  2  o 29.79310 11.83395 46.64889       89.94228 113.3363       114.4775 -60.91325      145.3877 37.90030 13.73371 29.71502 13.42868 8.185286       19.20792 
1 1 1 25  6  3  o 53.92158 10.19236 265.3867       90.41234 279.9972       121.1226 247.0020       135.8689 54.52056 13.15966 51.04161 14.75467 3.478954       19.77061 
1 1 1 25  6  4  o 69.60059 8.134821 429.8664       94.86176 402.6060       127.7914 463.3242       141.5744 66.01751 11.76694 70.76439 12.15356 -4.746880      16.91656 
1 1 1 25  6  5  o 26.06616 10.89344 17.56879       81.03128 28.55713       110.7517 4.910549       118.8696 30.50078 12.74012 29.86762 12.86250 0.6331635      18.10400 
1 1 1 25  6  6  o 79.11026 7.170597 551.7029       95.81749 543.3694       134.8178 560.2088       136.2056 77.15977 10.50491 78.39706 10.43309 -1.237282      14.80549 
1 1 1 25  6  7  o 84.46857 6.410868 626.0530       91.78300 636.6982       126.6076 614.2619       133.2484 84.14006 8.948957 82.28999 9.666414 1.850067       13.17283 
1 1 1 25  6  8  o 33.01533 10.92591 97.05917       71.70831 118.6047       98.61607 72.88550       104.4576 36.70132 12.80274 32.86312 12.84535 3.838200       18.13596 
1 1 1 25  6  9  o 52.72612 8.738814 254.1861       75.92737 208.8541       107.6320 299.0917       107.1248 46.30079 13.05139 56.05494 11.57454 -9.754154      17.44445 
1 1 1 25  6  10 o 65.04459 7.210332 378.1562       78.74072 388.9503       113.6305 368.1849       109.2132 64.33923 10.71947 62.62937 10.58912 1.709862       15.06773 
1 1 1 25  7  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  7  1  o 42.65837 12.24980 167.8988       93.93233 165.7523       119.4965 171.3700       151.9594 43.01171 14.09804 44.80230 15.87114 -1.790585      21.22846 
1 1 1 25  7  2  o 41.89144 13.14892 160.1391       104.7398 203.8188       117.7215 -5.787816      229.4429 46.65340 13.80559 39.80852 17.49401 6.844879       22.28530 
1 1 1 25  7  3  o 136.1124 5.629933 1602.477       130.8587 1724.422       187.6133 1486.946       182.6124 140.1346 7.871886 129.9082 8.274824 10.22649       11.42100 
1 1 1 25  7  4  o 121.9653 5.927123 1289.712       123.4474 1181.794       169.2731 1412.312       180.4219 115.4760 8.646861 126.4122 8.405841 -10.93616      12.05929 
1 1 1 25  7  5  o 173.7153 5.042301 2608.343       149.5783 2666.094       232.3127 2567.448       195.4920 174.1507 7.811705 171.5658 6.672618 2.584885       10.27359 
1 1 1 25  7  6  o 36.47968 11.17261 122.7280       76.14756 139.9754       99.06602 97.82310       119.0431 39.08690 12.83761 36.19336 13.82743 2.893543       18.86801 
1 1 1 25  7  7  o 100.9360 5.879861 890.5208       100.9090 867.7008       140.1332 915.0978       145.4280 98.44952 8.416265 101.0702 8.505086 -2.620682      11.96537 
1 1 1 25  7  8  o 45.49492 10.10703 194.3967       76.48075 68.83389       102.6663 350.9615       114.6422 32.28783 12.70065 60.89066 11.44552 -28.60283      17.09697 
1 1 1 25  7  9  o 121.6693 5.230733 1287.470       108.6790 1098.182       159.2383 1452.519       148.6936 110.4454 8.508549 128.2571 6.813489 -17.81165      10.90041 
1 1 1 25  7  10 o 101.0805 5.967738 898.0276       102.5531 998.3476       142.2911 789.5877       147.9376 105.4500 7.960529 92.77419 9.470705 12.67582       12.37191 
1 1 1 25  8  0  o 54.62671 12.39231 279.1099       112.9455 286.2668       122.9335 240.3577       286.0587 55.08748 13.23367 54.48607 21.26819 0.6014137      25.04927 
1 1 1 25  8  1  o 56.26188 10.50785 290.2639       97.24291 280.1119       122.2162 307.7800       160.5359 54.36158 13.27929 56.29474 15.96427 -1.933163      20.76529 
1 1 1 25  8  2  o 22.19103 10.13404 -49.34614      85.51534 9.456160       107.1513 -152.5034      141.9221 28.79596 12.30184 25.47425 12.09039 3.321701       17.24856 
1 1 1 25  8  3  o 140.8149 5.503694 1716.427       132.3442 1702.162       190.1859 1729.820       184.2797 138.9434 8.050140 140.2455 7.724393 -1.302078      11.15666 
1 1 1 25  8  4  o 112.0835 5.814458 1093.567       110.9069 1068.999       149.5138 1123.624       165.3750 109.8709 8.024364 112.3141 8.690142 -2.443138      11.82831 
1 1 1 25  8  5  o 144.3198 5.569416 1808.910       137.2579 1783.928       197.8093 1832.108       190.6146 141.7148 8.209065 143.8997 7.785973 -2.184982      11.31416 
1 1 1 25  8  6  o 109.2687 5.593629 1041.274       104.0238 1062.807       147.8736 1020.179       146.3620 109.2261 7.983276 106.9530 8.073195 2.273071       11.35382 
1 1 1 25  8  7  o 38.70884 11.03677 141.8307       76.51473 91.99437       100.2356 211.4206       118.4463 34.10134 12.76397 46.38241 13.87610 -12.28107      18.85378 
1 1 1 25  8  8  o 94.28651 6.158017 781.7697       98.60535 774.4099       133.3920 790.6364       146.4139 92.62576 8.529091 93.11208 9.333867 -0.4863281     12.64383 
1 1 1 25  8  9  o 29.75934 11.05562 69.61703       74.92352 33.18024       95.65804 127.4466       120.5110 28.49780 11.86644 38.03880 14.04307 -9.540995      18.38532 
1 1 1 25  9  0  o 99.23922 7.429065 865.4296       124.9848 761.4754       147.5809 1129.093       235.0359 92.21774 9.507980 110.6459 12.66759 -18.42818      15.83886 
1 1 1 25  9  1  o 91.88649 7.127241 741.7081       110.9593 669.2632       141.4699 857.5178       178.8678 86.19180 9.785023 97.06326 10.98470 -10.87146      14.71089 
1 1 1 25  9  2  o 19.75284 9.331009 -87.03154      82.66452 -108.9437      96.74773 -27.77048      159.1048 20.99132 9.968454 32.24767 14.35019 -11.25636      17.47278 
1 1 1 25  9  3  o 69.79838 7.669662 433.5906       89.90891 409.4189       114.3945 472.6501       145.4169 66.71058 10.37916 70.71423 12.49940 -4.003654      16.24691 
1 1 1 25  9  4  o 121.9854 5.765318 1295.137       120.0973 1198.457       158.4866 1425.525       184.0528 116.0592 8.046381 126.2738 8.586475 -10.21454      11.76740 
1 1 1 25  9  5  o 69.50915 7.762850 432.7357       90.56982 381.8666       114.5781 517.4570       147.8668 63.83784 10.90188 73.79807 12.15679 -9.960228      16.32907 
1 1 1 25  9  6  o 58.74594 8.434869 313.6283       82.18962 308.0999       107.6436 321.3570       127.2744 56.84841 11.48370 57.17416 13.28847 -0.3257561     17.56299 
1 1 1 25  9  7  o 73.56267 7.301916 483.4697       90.51483 422.7273       116.4029 576.3735       143.9576 67.20206 10.48565 78.28716 11.07742 -11.08510      15.25313 
1 1 1 25  9  8  o 50.56463 9.935846 241.1922       82.73351 214.2854       104.3712 286.6837       135.7107 46.46510 12.76259 52.84669 14.56863 -6.381592      19.36824 
1 1 1 25  10 0  o 169.1577 6.627485 2496.458       191.4442 2782.097       233.2784 1907.256       335.0415 177.9246 7.677796 142.2359 13.97433 35.68874       15.94461 
1 1 1 25  10 1  o 82.79346 7.718634 608.5560       107.8705 628.3442       123.4810 544.7994       221.6453 83.68494 8.771105 72.60867 17.97235 11.07627       19.99844 
1 1 1 25  10 2  f 127.8603 5.555740 1420.722       121.3053 1388.865       165.5654 1457.643       178.2378 125.1532 7.785433 127.9687 8.199456 -2.815422      11.30681 
1 1 1 25  10 3  o 77.53520 7.649260 536.5970       99.95930 538.1080       119.4703 533.0706       182.5139 76.87544 9.288964 73.00560 15.13670 3.869843       17.75963 
1 1 1 25  10 4  o 25.60422 10.68398 21.39554       77.77564 33.23475       91.14830 -10.30751      149.1550 28.16967 11.64427 31.53814 13.97092 -3.368465      18.18723 
1 1 1 25  10 5  o 60.84535 8.376038 336.3777       84.72275 364.4527       109.0813 293.6899       134.5064 62.29935 10.63508 53.98755 14.34533 8.311806       17.85758 
1 1 1 25  10 6  o 23.28030 10.14146 -3.134061      75.62475 -39.11798      90.39098 80.81535       138.0638 23.10123 10.49889 35.57050 14.47457 -12.46926      17.88128 
1 1 1 25  10 7  o 68.67938 7.751479 426.2495       89.31970 499.1843       114.0010 310.2972       143.7412 73.55134 9.283208 54.62434 14.96668 18.92700       17.61191 
1 1 1 25  11 0  o 49.85256 11.09805 235.5214       92.04977 220.7635       102.5390 296.7856       208.9202 47.79497 12.44205 53.72606 18.64059 -5.931084      22.41152 
1 1 1 25  11 1  o 55.58272 10.59699 290.3169       96.91147 239.5876       104.9784 582.8587       252.0952 49.65767 12.41342 72.51654 19.80060 -22.85887      23.36999 
1 1 1 25  11 2  o 64.20098 9.050541 377.3162       96.47116 289.8365       108.7182 701.2959       209.2220 54.79844 11.95434 83.54440 15.22621 -28.74596      19.35830 
1 1 1 25  11 3  o 110.8237 6.591162 1083.868       124.1749 978.3954       159.6540 1245.370       197.5600 103.7618 9.102294 116.4113 10.03615 -12.64954      13.54902 
1 1 1 25  11 4  o 39.95223 11.45028 153.7386       82.14345 115.0444       96.93787 252.2855       154.7007 35.87357 12.67967 49.42673 16.03293 -13.55315      20.44086 
1 1 1 25  11 5  o 71.14881 7.704923 456.8360       92.11777 451.8268       114.5739 465.9938       154.9175 69.56868 9.925707 68.13155 13.78856 1.437134       16.98953 
1 1 1 25  11 6  o 77.02472 7.227235 532.1161       93.94979 548.5818       119.2747 505.2014       152.4936 77.08055 9.246045 71.46256 12.97384 5.617989       15.93141 
1 1 1 25  12 0  o 46.44576 11.42160 208.4526       89.95796 224.4824       100.0185 140.5813       205.8070 47.91464 12.19351 43.04507 17.61194 4.869564       21.42107 
1 1 1 25  12 1  o 40.98029 13.21269 162.6040       105.1833 171.6350       116.3213 122.1050       246.3269 42.01872 13.91611 43.82916 18.68626 -1.810440      23.29881 
1 1 1 25  12 2  f 53.74680 11.74921 280.5193       104.8274 318.0522       122.0599 175.0320       204.6293 56.67302 12.90176 44.64809 17.81332 12.02493       21.99477 
1 1 1 25  12 3  o 65.56641 9.297544 398.3688       101.1842 408.7659       126.9531 380.2618       167.5365 64.90088 11.89318 59.69916 16.07575 5.201721       19.99693 
1 1 1 25  12 4  o 20.91391 9.842695 -79.92461      90.42882 -103.5065      104.8391 -11.39330      178.7221 21.92329 10.40111 33.37439 15.00328 -11.45110      18.25600 
1 1 1 25  13 0  o 33.66174 11.82880 101.3328       84.25628 123.7535       92.66447 -5.664577      202.4300 36.40306 12.42363 35.51671 15.96678 0.8863525      20.23078 
1 1 1 25  13 1  o 21.37483 9.739149 -36.37209      78.41607 -44.91815      85.52174 8.739833       196.4895 21.94505 10.06371 35.50427 15.86229 -13.55922      18.78538 
1 1 1 25  13 2  o 27.05594 11.57091 18.13744       94.98037 79.93929       108.1818 -189.7396      198.4068 32.93218 13.01081 28.93471 13.88581 3.997473       19.02884 
1 1 1 25  14 0  o 20.56426 9.644566 -69.83762      85.54221 -86.26637      94.49079 4.783032       201.3802 21.10472 9.971627 35.21916 15.87045 -14.11444      18.74312 
1 1 1 26  0  0  o 83.49790 11.27216 635.9895       152.4804 635.9895       152.4804 635.9895       152.4804 83.49790 11.27216 83.49790 11.27216 0.000000       0.000000 
1 1 1 26  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  0  3  o 13.69467 9.943343 -265.4380      128.9270 -265.4380      128.9270 -265.4380      128.9270 13.69467 9.943343 13.69467 9.943343 0.000000       0.000000 
1 1 1 26  0  4  o 28.33415 15.69255 100.2711       111.3833 100.2711       111.3833 100.2711       111.3833 28.33415 15.69255 28.33415 15.69255 0.000000       0.000000 
1 1 1 26  0  5  o 40.14360 17.24146 204.4871       121.0834 204.4871       121.0834 204.4871       121.0834 40.14360 17.24146 40.14360 17.24146 0.000000       0.000000 
1 1 1 26  0  6  o 104.2000 10.36889 974.8905       180.3110 974.8905       180.3110 974.8905       180.3110 104.2000 10.36889 104.2000 10.36889 0.000000       0.000000 
1 1 1 26  0  7  o 32.42365 16.81040 141.0684       120.3599 141.0684       120.3599 141.0684       120.3599 32.42365 16.81040 32.42365 16.81040 0.000000       0.000000 
1 1 1 26  0  8  o 67.72202 12.64430 443.9879       131.2808 443.9879       131.2808 443.9879       131.2808 67.72202 12.64430 67.72202 12.64430 0.000000       0.000000 
1 1 1 26  0  9  o 25.92347 15.79739 64.36855       131.6706 64.36855       131.6706 64.36855       131.6706 25.92347 15.79739 25.92347 15.79739 0.000000       0.000000 
1 1 1 26  0  10 o 180.0343 7.998868 2839.647       244.8105 2839.647       244.8105 2839.647       244.8105 180.0343 7.998868 180.0343 7.998868 0.000000       0.000000 
1 1 1 26  0  11 o 14.19759 10.04325 -116.3333      99.76978 -116.3333      99.76978 -116.3333      99.76978 14.19759 10.04325 14.19759 10.04325 0.000000       0.000000 
1 1 1 26  1  0  o 123.0553 6.147956 1305.939       129.1912 1193.172       179.0509 1428.403       186.5902 116.6158 9.062368 127.8176 8.598632 -11.20182      12.49252 
1 1 1 26  1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  1  3  o 149.2228 5.638462 1921.498       143.6805 1904.764       200.6003 1939.126       205.8929 147.5894 7.989037 148.8559 8.130550 -1.266449      11.39871 
1 1 1 26  1  4  o 92.45486 7.015438 747.0563       109.9352 744.0219       168.7207 749.2950       144.9224 90.72729 11.12299 91.77684 9.378769 -1.049545      14.54930 
1 1 1 26  1  5  o 143.4144 5.635528 1778.377       138.0159 1831.961       197.8094 1727.547       192.6604 144.4145 8.053163 140.2131 8.080628 4.201370       11.40833 
1 1 1 26  1  6  o 121.6465 5.875653 1282.529       122.0556 1128.159       172.9536 1435.688       172.2738 112.6181 9.070202 127.7002 7.939283 -15.08216      12.05408 
1 1 1 26  1  7  o 59.86098 9.161318 324.9140       90.66970 258.3690       128.1021 391.7176       128.3509 51.62072 14.12299 64.59809 12.07938 -12.97737      18.58414 
1 1 1 26  1  8  o 18.82080 8.932734 -87.43267      77.47717 -50.54723      109.9176 -123.8543      109.2242 25.42106 11.56256 22.10755 10.52531 3.313509       15.63570 
1 1 1 26  1  9  o 55.65941 10.94337 291.0150       100.3064 359.5262       135.5645 208.1282       149.1105 60.79611 13.41718 46.47607 15.76012 14.32003       20.69787 
1 1 1 26  1  10 o 26.83179 11.74341 -5.555315      102.4661 -5.555315      102.4661 0.000000       0.000000 26.83179 11.74341 ?        ?        0.000000       11.74341 
1 1 1 26  1  11 o 65.64615 7.927100 388.7159       87.06478 237.4501       122.3874 543.7004       123.8826 48.70796 13.98140 76.87319 9.649627 -28.16523      16.98808 
1 1 1 26  2  0  o 185.7057 5.991875 2973.657       190.0159 2877.260       269.5371 3068.898       267.9162 181.6943 8.687107 187.7911 8.354531 -6.096786      12.05255 
1 1 1 26  2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  2  2  o 20.37922 9.680479 -108.1706      91.36256 -6.762969      110.4811 -327.5201      162.4879 28.41867 12.31891 23.31815 11.48751 5.100517       16.84394 
1 1 1 26  2  3  o 25.43533 10.91634 0.3159729      85.07633 44.04072       120.1735 -43.61691      120.4592 32.82522 13.44742 27.53576 12.35252 5.289454       18.25974 
1 1 1 26  2  4  o 76.07072 7.600651 509.4398       97.41312 462.6625       137.9251 555.9979       137.6014 70.98589 11.79183 78.47157 10.53457 -7.485680      15.81216 
1 1 1 26  2  5  o 49.75471 10.62846 228.6169       87.56125 162.6330       123.5967 295.1020       124.0653 42.63991 14.34912 55.81853 13.21961 -13.17862      19.51039 
1 1 1 26  2  6  o 60.57341 9.657037 333.3437       96.53696 229.7947       150.9911 404.9378       125.5502 49.13379 15.82930 66.12276 11.53869 -16.98897      19.58847 
1 1 1 26  2  7  o 108.9358 6.484751 1038.210       120.0873 989.8830       160.6272 1099.449       180.8182 105.1853 9.030120 110.5238 9.677937 -5.338493      13.23652 
1 1 1 26  2  8  o 36.44596 11.82169 121.0308       84.10648 90.49860       117.8395 152.7358       120.0813 35.44274 13.70163 40.96881 14.13678 -5.526073      19.68713 
1 1 1 26  2  9  o 67.15664 12.04554 427.5426       133.0639 427.5426       133.0639 0.000000       0.000000 67.15664 12.04554 ?        ?        0.000000       12.04554 
1 1 1 26  2  10 o 42.44001 11.15322 172.1561       81.88869 162.6431       109.7622 184.0976       122.9775 41.32056 13.51006 43.62054 14.30211 -2.299980      19.67415 
1 1 1 26  2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  3  2  o 139.9056 5.934354 1690.607       141.7785 1572.677       196.4367 1818.838       204.8372 133.8252 8.641905 144.0794 8.361357 -10.25423      12.02476 
1 1 1 26  3  3  f 25.20856 11.17214 -24.95997      95.48756 -66.77087      115.0793 67.45044       171.0853 25.64763 11.72936 38.84767 15.99490 -13.20004      19.83468 
1 1 1 26  3  4  f 105.7209 6.493491 973.4951       116.6632 907.0104       156.9563 1055.570       174.3910 101.0354 9.197827 108.9282 9.469440 -7.892868      13.20115 
1 1 1 26  3  5  o 91.44397 6.788669 731.5570       105.2522 880.7630       147.0071 574.6313       150.7621 99.63688 8.728051 79.19013 11.48357 20.44675       14.42398 
1 1 1 26  3  6  o 80.04489 7.790806 567.4888       105.1426 549.3599       138.3387 592.2845       161.7880 77.52641 10.73771 79.78556 12.26749 -2.259155      16.30305 
1 1 1 26  3  7  o 59.00105 9.168619 316.6895       89.37840 392.8752       126.8537 241.5838       125.9514 64.61729 11.93583 49.80499 14.14628 14.81229       18.50895 
1 1 1 26  3  8  o 29.15155 11.25065 56.91879       79.34759 56.62289       115.8542 57.18021       108.8974 32.62599 13.26593 32.03270 12.91926 0.5932884      18.51735 
1 1 1 26  3  9  o 28.72019 11.53604 44.84742       86.44243 20.50742       115.9270 75.32884       129.7304 30.08037 12.82172 35.04564 14.11274 -4.965269      19.06740 
1 1 1 26  3  10 o 27.76283 10.98961 46.50174       77.31879 76.63859       108.5752 15.49444       110.1320 33.26904 13.06919 28.97190 12.42680 4.297140       18.03411 
1 1 1 26  4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  4  1  o 187.7532 6.318715 3048.894       202.5900 3046.589       264.8162 3052.147       314.5782 186.8162 8.300955 185.8637 9.947405 0.9524841      12.95595 
1 1 1 26  4  2  o 138.1638 6.099757 1651.167       143.9158 1686.420       191.9320 1605.889       217.5158 138.7148 8.138200 134.7154 9.516442 3.999405       12.52170 
1 1 1 26  4  3  o 40.98854 12.37633 154.0602       93.90600 138.3589       119.8722 179.0035       151.0867 40.33735 14.11275 45.23354 15.84300 -4.896198      21.21722 
1 1 1 26  4  4  o 124.5482 6.108489 1344.763       129.9192 1358.563       174.6925 1327.684       194.3411 124.1496 8.287616 122.1889 9.385602 1.960701       12.52095 
1 1 1 26  4  5  f 38.58855 12.09379 135.8193       88.64241 61.43072       117.3217 234.7723       135.3131 33.50436 13.44591 49.48862 14.83706 -15.98426      20.02325 
1 1 1 26  4  6  o 31.95439 13.32827 36.87829       120.9685 110.4011       138.0736 -205.9350      250.9203 38.59472 14.85626 34.28917 16.21589 4.305553       21.99235 
1 1 1 26  4  7  o 101.9314 5.876601 907.0394       101.8571 979.0651       154.8767 852.1421       135.2127 104.5508 8.755351 97.79300 8.171570 6.757828       11.97626 
1 1 1 26  4  8  f 70.18284 7.598861 439.4927       89.61690 374.9742       133.4148 492.5376       120.9717 62.31466 12.95988 73.29253 9.920383 -10.97787      16.32092 
1 1 1 26  4  9  o 53.64349 10.18348 269.0024       89.87378 236.6565       118.4267 312.9305       138.0105 48.95805 13.65158 55.93756 14.37128 -6.979515      19.82168 
1 1 1 26  4  10 o 37.81993 11.15036 136.0184       76.91759 90.74050       104.6715 189.1709       113.4089 34.10868 12.98140 43.86752 13.66811 -9.758835      18.85031 
1 1 1 26  5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  5  1  o 127.7279 6.377430 1412.802       139.1020 1394.140       180.0475 1440.436       219.0888 125.9680 8.418461 127.2420 10.16788 -1.273918      13.20062 
1 1 1 26  5  2  o 87.60339 7.576323 674.1759       112.2239 686.1164       143.2280 655.1887       180.6131 87.59837 9.739701 84.15510 12.98590 3.443275       16.23254 
1 1 1 26  5  3  o 122.5830 5.696135 1300.004       119.2374 1302.548       173.7863 1297.740       163.9017 121.4975 8.428302 121.4904 7.943969 0.7095337E-02  11.58201 
1 1 1 26  5  4  o 110.4831 6.521547 1065.054       122.4952 869.3479       178.9457 1237.626       168.0371 97.89552 10.88875 118.3303 8.369865 -20.43474      13.73389 
1 1 1 26  5  5  o 36.35639 12.39917 115.4333       92.29930 104.3535       116.8521 133.8144       150.5061 36.77189 13.77788 41.15289 15.58920 -4.380997      20.80512 
1 1 1 26  5  6  o 29.54980 11.42486 57.67307       81.93850 249.4968       115.2295 -138.5345      116.5387 50.78299 13.17477 22.56825 10.77971 28.21474       17.02283 
1 1 1 26  5  7  o 98.27948 6.155027 846.1478       102.7777 936.9544       152.0615 769.7738       139.4547 102.1238 8.805549 92.42752 8.947469 9.696289       12.55368 
1 1 1 26  5  8  o 42.02034 11.05166 167.8684       80.36293 326.4343       114.7061 15.00856       112.6233 58.48188 11.89091 29.35306 12.57778 29.12882       17.30879 
1 1 1 26  5  9  o 28.14592 10.81476 54.88574       73.08064 5.146240       100.3080 111.1561       106.6902 27.18098 11.76022 36.13178 13.23301 -8.950802      17.70354 
1 1 1 26  6  0  o 95.28508 8.112293 798.8115       130.7425 817.8990       151.1376 742.0580       260.6120 95.97159 9.340418 87.00898 18.12823 8.962608       20.39305 
1 1 1 26  6  1  o 34.45031 12.92257 86.20638       102.8509 89.85144       116.7050 73.52994       217.6386 35.87714 13.69469 42.47146 17.80864 -6.594318      22.46536 
1 1 1 26  6  2  o 94.89973 6.923976 788.0892       111.4333 750.5098       146.7934 839.1944       171.1846 91.61653 9.521864 96.44408 10.56710 -4.827553      14.22426 
1 1 1 26  6  3  o 123.0556 7.306770 1327.526       152.8540 1311.391       173.0664 1384.751       325.9311 121.8105 8.370863 119.7990 16.35966 2.011482       18.37689 
1 1 1 26  6  4  o 100.0796 6.580899 876.5443       111.8418 877.4513       151.9920 875.4732       165.1641 99.05609 9.086691 98.50555 9.955308 0.5505447      13.47873 
1 1 1 26  6  5  o 75.66814 8.136591 511.2964       103.4854 464.8910       135.1316 577.1083       160.9255 70.55683 11.62003 78.30695 12.45119 -7.750122      17.03107 
1 1 1 26  6  6  o 19.34667 9.275872 -114.4614      88.08147 -166.8938      134.9650 -75.56104      116.2513 23.87221 11.45532 24.98505 11.55666 -1.112844      16.27209 
1 1 1 26  6  7  o 21.29748 9.531223 -23.56892      71.26351 -24.10180      95.05171 -22.88489      107.6912 24.78892 11.05684 26.49479 11.79694 -1.705875      16.16853 
1 1 1 26  6  8  o 32.68105 11.18930 94.07656       75.16845 184.8734       101.0666 -18.32719      112.4509 43.59647 12.76102 27.22857 12.09292 16.36790       17.58073 
1 1 1 26  6  9  o 119.2717 5.435327 1240.561       110.7044 1225.782       161.4513 1253.675       152.0874 116.8077 8.145070 118.5447 7.552257 -1.736938      11.10760 
1 1 1 26  7  0  o 36.89322 12.94836 113.8466       100.9455 72.94046       117.7152 227.5221       196.2329 34.54992 13.59674 50.32216 18.01318 -15.77224      22.56870 
1 1 1 26  7  1  o 132.1103 5.969572 1512.905       134.6734 1703.839       185.4139 1299.687       195.9354 139.2471 7.829247 120.6940 9.585525 18.55315       12.37657 
1 1 1 26  7  2  o 94.09688 6.708485 774.9875       107.0897 694.8625       145.8548 868.7001       157.7377 87.81204 9.899420 98.48417 9.496951 -10.67213      13.71826 
1 1 1 26  7  3  o 115.6957 6.091786 1166.763       119.9308 1289.699       167.2022 1036.489       172.1203 120.6942 8.160424 107.4719 9.475522 13.22238       12.50512 
1 1 1 26  7  4  o 32.46745 11.88525 83.32034       86.04970 124.5830       115.1692 31.17635       129.4671 38.25196 13.78831 32.30574 13.65045 5.946220       19.40238 
1 1 1 26  7  5  o 85.78085 7.447545 653.2660       108.0125 722.1008       156.9458 591.3257       148.8786 88.56922 10.58664 79.68129 11.25472 8.887932       15.45140 
1 1 1 26  7  6  o 50.93930 10.34963 243.4960       86.95787 313.0110       108.6789 119.7975       144.9734 57.39765 11.48880 39.17052 15.18213 18.22713       19.03916 
1 1 1 26  7  7  o 66.92130 8.142464 404.1549       91.13350 458.3102       117.2426 321.4831       144.8584 70.39399 10.03749 56.34223 14.84721 14.05176       17.92180 
1 1 1 26  7  8  f 44.02713 10.94707 186.3564       81.95472 282.7495       105.7776 41.59267       129.6286 54.02047 11.79706 32.40081 13.67306 21.61966       18.05888 
1 1 1 26  8  0  o 127.0791 7.284439 1416.079       157.4187 1521.251       180.1861 1077.006       323.5319 131.3393 8.072974 103.2290 19.05525 28.11030       20.69482 
1 1 1 26  8  1  o 126.5229 5.937498 1389.646       128.2847 1455.331       177.4784 1317.781       185.6405 128.3221 8.141359 121.6248 9.002111 6.697311       12.13753 
1 1 1 26  8  2  o 93.71215 6.787958 771.3111       107.8908 764.6483       146.0543 779.3139       160.0681 92.14239 9.414474 92.56737 10.30087 -0.4249802     13.95493 
1 1 1 26  8  3  o 130.7280 5.604983 1484.934       125.1252 1580.275       182.3151 1400.037       172.0392 133.4277 8.039099 125.5458 8.067314 7.881966       11.38897 
1 1 1 26  8  4  o 69.54997 7.695280 432.4966       89.86376 356.6877       116.7471 542.7147       140.7708 61.38545 11.56143 76.28210 11.13466 -14.89665      16.05140 
1 1 1 26  8  5  o 106.0734 6.111554 986.6864       110.2346 1052.138       147.8064 904.6506       165.4763 108.5261 8.032543 99.47845 9.871374 9.047615       12.72658 
1 1 1 26  8  6  o 29.29585 11.32865 58.94183       80.57533 62.43023       97.85887 51.59806       141.9865 31.20924 12.36040 34.23987 14.37203 -3.030624      18.95613 
1 1 1 26  8  7  o 51.46198 10.36779 250.9916       87.96246 158.1128       107.5267 438.8908       152.9398 40.52636 13.37768 66.20009 13.96795 -25.67373      19.34078 
1 1 1 26  9  0  o 124.4344 6.906155 1358.201       146.1738 1379.902       174.4964 1307.147       267.6456 124.7330 8.238652 117.7570 13.55730 6.976013       15.86429 
1 1 1 26  9  1  o 52.52242 11.42819 260.8368       99.58636 200.6359       120.9098 387.8192       175.6030 45.63078 14.09574 61.81195 16.37509 -16.18117      21.60633 
1 1 1 26  9  2  o 58.78996 9.657627 318.2472       93.58851 227.8461       116.9312 479.3765       156.1101 48.24094 13.60535 70.33156 13.48881 -22.09062      19.15864 
1 1 1 26  9  3  o 92.46278 6.710242 754.5121       105.2299 765.2850       133.2756 736.6783       171.4775 92.20043 8.562555 88.59800 11.61363 3.602432       14.42892 
1 1 1 26  9  4  o 32.01384 11.64094 84.06477       82.35009 94.45908       98.13116 59.31590       151.4212 34.11395 12.65665 35.48335 14.86522 -1.369396      19.52346 
1 1 1 26  9  5  o 89.86672 6.905664 716.2644       105.1650 774.9402       132.7134 617.2382       172.4092 92.63803 8.483470 79.67674 13.12884 12.96129       15.63124 
1 1 1 26  9  6  o 57.94024 9.521550 312.6000       90.93501 272.6762       110.0659 398.4540       161.4051 52.59151 12.44884 61.92953 15.34147 -9.338020      19.75688 
1 1 1 26  10 0  o 35.10737 13.09280 98.51559       105.2790 120.5163       113.9367 -29.96833      275.3400 37.59330 13.68916 40.56817 18.39334 -2.974876      22.92832 
1 1 1 26  10 1  o 57.91227 9.800182 310.9017       93.46111 292.7802       109.4102 359.8233       179.7672 55.17370 11.95762 58.56327 16.98402 -3.389572      20.77117 
1 1 1 26  10 2  o 36.12061 12.11112 119.5107       88.04592 154.3344       99.15596 -10.28686      191.4323 40.20050 12.81465 35.10654 15.67272 5.093964       20.24474 
1 1 1 26  10 3  o 71.76078 8.026458 464.1787       96.67406 510.8687       117.6151 366.9385       169.7360 74.59917 9.444191 59.19994 16.28175 15.39922       18.82254 
1 1 1 26  10 4  o 38.95857 11.96464 145.8854       87.25811 130.5892       101.4882 189.2475       170.8752 37.57841 12.99465 44.58143 16.66952 -7.003021      21.13607 
1 1 1 26  10 5  f 61.54552 9.740272 354.1169       98.96159 373.9268       130.6621 327.4647       151.5565 61.42340 12.86900 55.82856 15.39775 5.594833       20.06743 
1 1 1 26  11 0  o 31.64768 12.10946 74.47166       91.38786 67.37142       96.89805 131.6280       274.9230 31.46489 12.35090 45.64165 19.60700 -14.17677      23.17281 
1 1 1 26  11 1  o 62.80978 9.558148 365.3052       99.28483 336.1320       110.5872 486.5400       225.4373 59.30355 11.33316 65.97626 18.98648 -6.672710      22.11169 
1 1 1 26  11 2  o 92.09187 6.866601 753.3611       107.2092 679.9197       131.4795 899.0736       185.1979 86.23750 9.063741 97.57262 11.32557 -11.33511      14.50586 
1 1 1 26  11 3  o 23.58939 10.36329 -7.368504      80.46384 -18.23744      91.81021 28.63226       167.0911 24.42653 10.88302 34.48299 15.04661 -10.05646      18.56988 
1 1 1 26  11 4  o 42.05227 11.60169 173.5714       86.02526 138.3767       102.0022 260.2704       160.0951 38.10229 13.03442 49.41396 16.32401 -11.31167      20.88945 
1 1 1 26  12 0  o 41.75510 12.32204 171.3127       93.89333 156.0706       100.0799 283.2893       271.2607 40.05238 12.88551 51.58484 20.53192 -11.53246      24.24038 
1 1 1 26  12 1  o 56.91491 10.45130 308.5914       97.83445 317.8795       108.8643 269.5968       223.0610 57.16254 11.54994 49.99585 18.96892 7.166695       22.20858 
1 1 1 26  12 2  o 27.63946 11.42669 35.97725       87.79156 30.54717       93.26555 78.20447       260.0846 27.80080 11.65759 41.63873 18.44680 -13.83792      21.82164 
1 1 1 26  13 0  o 46.44534 12.06705 216.0800       96.57491 270.3707       103.3061 -160.2661      271.9927 52.16987 11.86398 34.82746 16.58897 17.34241       20.39480 
1 1 1 27  0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  0  1  o 44.10804 17.87113 240.0048       131.7471 240.0048       131.7471 240.0048       131.7471 44.10804 17.87113 44.10804 17.87113 0.000000       0.000000 
1 1 1 27  0  2  o 143.9779 8.164407 1808.816       199.2583 1808.816       199.2583 1808.816       199.2583 143.9779 8.164407 143.9779 8.164407 0.000000       0.000000 
1 1 1 27  0  3  o 53.66675 15.64684 310.1211       124.5024 310.1211       124.5024 310.1211       124.5024 53.66675 15.64684 53.66675 15.64684 0.000000       0.000000 
1 1 1 27  0  4  o 85.67184 9.822546 663.2627       138.8095 663.2627       138.8095 663.2627       138.8095 85.67184 9.822546 85.67184 9.822546 0.000000       0.000000 
1 1 1 27  0  5  o 200.6663 8.374205 3514.163       285.8228 3514.163       285.8228 3514.163       285.8228 200.6663 8.374205 200.6663 8.374205 0.000000       0.000000 
1 1 1 27  0  6  o 90.79593 10.07407 747.6821       151.2809 747.6821       151.2809 747.6821       151.2809 90.79593 10.07407 90.79593 10.07407 0.000000       0.000000 
1 1 1 27  0  7  o 50.94316 18.80449 316.1813       151.5625 316.1813       151.5625 316.1813       151.5625 50.94316 18.80449 50.94316 18.80449 0.000000       0.000000 
1 1 1 27  0  8  o 84.19878 12.36130 668.1577       166.5117 668.1577       166.5117 668.1577       166.5117 84.19878 12.36130 84.19878 12.36130 0.000000       0.000000 
1 1 1 27  0  9  o 79.13069 10.31739 578.9203       132.8630 578.9203       132.8630 578.9203       132.8630 79.13069 10.31739 79.13069 10.31739 0.000000       0.000000 
1 1 1 27  1  0  o 27.40439 11.89015 -7.501893      103.1133 -39.10819      129.4664 47.32584       170.5180 28.92649 12.90312 37.81793 15.80337 -8.891438      20.40188 
1 1 1 27  1  1  o 79.40509 8.205374 556.4368       109.6579 532.4130       162.6190 576.4701       148.5003 75.85973 13.02234 79.75996 11.21249 -3.900230      17.18433 
1 1 1 27  1  2  o 23.07182 10.23998 -23.07793      80.50041 -162.0769      110.4247 134.5820       117.6037 21.12904 10.19551 39.88153 13.97715 -18.75249      17.30056 
1 1 1 27  1  3  o 24.01595 10.38110 -3.690449      78.01418 -44.81147      107.0043 42.96967       113.9836 25.59153 11.54693 31.93559 13.09130 -6.344061      17.45605 
1 1 1 27  1  4  o 66.53530 8.426421 395.2808       93.59507 589.0508       137.8818 229.6994       127.4587 80.67542 10.23890 49.03896 14.32397 31.63646       17.60714 
1 1 1 27  1  5  o 18.86770 9.061434 -115.6872      84.84175 -144.5477      113.3993 -78.99187      127.8683 22.00365 10.54319 26.46581 12.19892 -4.462162      16.12366 
1 1 1 27  1  6  o 122.3425 6.285252 1308.738       130.8678 1509.157       194.0318 1141.479       177.2542 129.9724 8.793928 112.6681 9.295849 17.30429       12.79633 
1 1 1 27  1  7  o 66.02210 8.571381 393.6845       94.35664 523.1990       133.9450 266.1032       132.9415 75.18790 10.73718 51.83471 14.46764 23.35320       18.01665 
1 1 1 27  1  8  o 32.71197 12.29041 82.19464       93.10784 44.70772       120.7335 137.2054       146.2554 32.12364 13.35001 40.55087 15.36596 -8.427231      20.35523 
1 1 1 27  1  9  o 57.07334 9.350753 300.9458       87.97730 408.0596       119.3531 173.4991       130.1893 65.77714 11.01516 42.62272 14.71906 23.15442       18.38435 
1 1 1 27  2  0  o 26.15477 11.21671 1.006619       89.70244 64.81662       118.0017 -86.34614      138.0646 34.16967 13.56031 27.74511 12.74683 6.424568       18.61085 
1 1 1 27  2  1  o 40.89791 11.91534 153.5855       88.29839 86.64931       116.8913 242.5369       134.7498 35.71560 13.68834 50.67326 14.70696 -14.95765      20.09143 
1 1 1 27  2  2  o 109.7928 6.493892 1049.448       121.2119 967.7140       174.2116 1126.144       168.7576 104.0853 9.921457 112.8479 8.827586 -8.762695      13.28012 
1 1 1 27  2  3  o 64.59167 8.919147 374.1096       95.75417 318.7708       135.5632 429.2102       135.2710 57.77321 13.90801 68.02722 12.08731 -10.25401      18.42650 
1 1 1 27  2  4  o 105.4360 6.392511 969.9791       114.5529 1141.024       161.3721 796.2369       162.6398 113.5384 8.382350 93.86353 10.31701 19.67484       13.29302 
1 1 1 27  2  5  o 46.18419 11.29440 200.9121       88.33566 115.9274       125.6642 283.9274       124.1996 38.24400 14.29610 54.24627 13.46937 -16.00227      19.64185 
1 1 1 27  2  6  o 49.44224 10.73187 229.5036       88.00963 182.2879       125.6764 274.9408       123.2868 43.89599 14.46139 53.11502 13.54910 -9.219036      19.81691 
1 1 1 27  2  7  o 32.00858 11.85906 79.87971       86.09378 41.27408       119.7098 121.2411       123.9087 31.86932 13.27289 38.24669 14.21579 -6.377365      19.44886 
1 1 1 27  2  8  o 63.18795 9.720172 367.9634       101.5232 321.9109       132.3178 433.8788       158.3017 57.08827 13.73891 66.08292 14.43216 -8.994652      19.92599 
1 1 1 27  2  9  o 31.37929 11.83689 75.42970       86.54153 198.7335       122.3371 -48.08023      122.4393 44.84995 14.22734 26.80601 12.19671 18.04395       18.73972 
1 1 1 27  3  0  o 169.2289 5.996131 2475.796       173.2796 2623.848       231.4953 2287.146       261.3142 173.4690 7.814809 160.8771 9.554773 12.59192       12.34362 
1 1 1 27  3  1  o 64.39105 9.455997 372.7919       100.8791 301.4993       123.2552 517.4532       175.5737 56.62308 13.01912 73.98360 14.41522 -17.36052      19.42411 
1 1 1 27  3  2  o 106.9339 6.467405 996.2158       117.5438 1082.823       163.3281 903.1635       169.2965 110.6227 8.716607 100.4073 10.00703 10.21542       13.27102 
1 1 1 27  3  3  o 93.50159 7.110707 766.7252       112.6852 774.8865       150.6982 756.3745       169.7128 92.99867 9.628675 91.16602 11.13259 1.832649       14.71890 
1 1 1 27  3  4  o 26.41784 11.36983 2.271150       92.76503 -22.19655      114.9175 48.03683       157.1663 27.71936 12.27195 36.06401 15.12838 -8.344646      19.47995 
1 1 1 27  3  5  o 34.45855 11.94714 101.9343       85.81267 93.85031       118.6862 110.7894       124.2176 35.89295 13.78433 37.64606 14.18584 -1.753105      19.77994 
1 1 1 27  3  6  o 25.76517 11.13544 1.078037       89.73534 65.21210       115.0161 -98.69151      143.4542 33.20176 13.31714 27.30116 12.70012 5.900593       18.40215 
1 1 1 27  3  7  o 36.54158 13.91235 103.6884       120.2499 103.6884       120.2499 0.000000       0.000000 36.54158 13.91235 ?        ?        0.000000       13.91235 
1 1 1 27  3  8  o 52.46818 11.46350 263.4125       99.83876 339.5065       128.0998 145.6676       159.3472 58.90501 13.07595 41.58773 15.97181 17.31728       20.64169 
1 1 1 27  3  9  o 80.55466 7.504661 580.4014       102.0461 532.3195       142.9655 630.3424       145.7034 74.88509 11.55134 82.19160 10.63010 -7.306511      15.69817 
1 1 1 27  4  0  o 94.91128 7.838685 791.6393       125.9097 796.1790       150.4844 781.0439       229.9014 94.58928 9.442580 90.80336 15.37520 3.785919       18.04326 
1 1 1 27  4  1  o 199.0171 5.985023 3429.701       203.4033 3297.683       278.1793 3581.377       298.1717 193.8392 8.403907 201.8418 8.650742 -8.002609      12.06072 
1 1 1 27  4  2  o 123.8575 6.325819 1335.240       133.3491 1310.674       177.1092 1367.395       202.6239 121.7491 8.573449 123.8029 9.660722 -2.053841      12.91641 
1 1 1 27  4  3  o 24.08019 10.88089 -41.54456      95.41956 -4.544611      113.0432 -133.2408      177.9589 28.55887 12.42031 30.06181 14.03797 -1.502941      18.74377 
1 1 1 27  4  4  o 40.99961 12.36528 157.3696       93.77836 144.6088       121.5012 176.1732       147.4902 40.49997 14.20614 44.21147 15.63877 -3.711506      21.12784 
1 1 1 27  4  5  o 150.8849 5.797526 1980.274       149.3793 1965.408       207.9577 1996.122       214.7125 148.7424 8.219145 149.7526 8.430466 -1.010162      11.77400 
1 1 1 27  4  6  o 86.27379 7.615365 662.0240       111.0430 572.1268       144.8993 789.9464       172.8488 78.40787 11.13475 92.27632 11.19864 -13.86845      15.79216 
1 1 1 27  4  7  o 88.92748 6.536195 696.6141       98.56183 734.8010       148.6870 666.6816       131.6397 89.63960 9.877357 85.75508 9.129673 3.884514       13.45039 
1 1 1 27  4  8  o 74.06143 7.530209 490.9486       93.91132 544.4154       139.1666 446.2443       127.2529 76.14767 11.02293 68.70943 11.23380 7.438240       15.73859 
1 1 1 27  5  0  o 72.89127 10.12080 479.9413       122.5779 518.9855       161.1724 426.3715       188.7870 74.54710 13.14089 65.86314 16.74753 8.683968       21.28762 
1 1 1 27  5  1  o 85.92229 7.803139 651.4841       113.2440 468.0611       142.7251 963.1962       186.0588 71.00633 12.21092 103.2589 10.70731 -32.25254      16.24047 
1 1 1 27  5  2  o 66.90113 10.00097 406.7679       110.7491 302.0714       131.8038 658.2209       204.2634 56.07732 13.84647 82.77954 15.00234 -26.70222      20.41556 
1 1 1 27  5  3  o 30.69615 12.07618 57.24739       92.83038 130.7661       116.1591 -72.69870      154.4315 39.03518 13.87106 29.76000 13.60143 9.275173       19.42692 
1 1 1 27  5  4  o 23.32069 10.95026 -99.12964      110.8276 -99.12964      110.8276 0.000000       0.000000 23.32069 10.95026 ?        ?        0.000000       10.95026 
1 1 1 27  5  5  o 68.09815 8.539019 418.4857       97.11569 438.8836       132.5423 394.8401       142.7048 68.19296 11.80957 63.69183 13.53771 4.501137       17.96485 
1 1 1 27  5  6  o 76.68540 7.806539 525.6641       100.8032 671.5697       139.7849 367.5806       145.5015 85.77718 9.714299 60.88921 14.24647 24.88797       17.24324 
1 1 1 27  5  7  o 83.54481 6.890288 618.5488       97.42422 661.2182       145.4638 583.8397       131.1956 84.58337 10.28239 79.66950 9.853365 4.913864       14.24136 
1 1 1 27  5  8  o 67.76444 7.914266 414.4451       89.85766 503.7407       128.3437 328.5875       125.8488 73.36605 10.54746 57.65600 13.08216 15.71005       16.80452 
1 1 1 27  6  0  o 33.65092 12.94581 76.84082       104.7985 149.4478       117.6604 -201.8575      230.5199 41.06180 13.99939 32.99581 15.58535 8.065990       20.94961 
1 1 1 27  6  1  o 99.69318 7.663923 876.0521       129.4732 950.2907       154.6649 702.1916       236.6887 103.3261 8.851000 84.19120 17.04765 19.13490       19.20840 
1 1 1 27  6  2  o 77.96027 8.412017 542.6719       110.2146 599.4006       137.7590 441.7831       183.7130 81.20020 10.15704 66.49737 16.30369 14.70284       19.20874 
1 1 1 27  6  3  o 76.12794 8.002883 517.0284       102.4806 580.6770       137.4705 437.4113       153.7512 79.63317 10.35407 67.19125 13.86009 12.44192       17.30054 
1 1 1 27  6  4  o 33.55217 12.07144 93.52951       88.23296 118.9370       117.9495 61.24658       132.9542 37.72018 13.89875 34.39137 14.12313 3.328812       19.81510 
1 1 1 27  6  5  o 48.46152 11.37453 224.2568       92.51576 175.8065       124.1990 284.6530       138.6675 42.97495 14.38442 53.27945 14.74229 -10.30451      20.59725 
1 1 1 27  6  6  o 63.71213 9.400251 372.9772       99.20119 375.8684       131.4012 369.1455       151.2712 62.21458 12.79534 60.51286 14.76865 1.701729       19.54057 
1 1 1 27  6  7  o 48.88026 10.57732 227.4228       85.72634 162.7250       109.8387 328.2524       137.1211 41.08915 13.51867 57.02325 14.14897 -15.93410      19.56906 
1 1 1 27  7  0  o 156.7053 6.659068 2140.878       178.1964 2236.484       216.4359 1939.700       313.9612 159.4693 7.947860 144.7300 12.83648 14.73930       15.09780 
1 1 1 27  7  1  o 83.23774 9.274150 624.1839       129.5833 678.1402       141.6238 346.7276       321.1534 86.56711 9.750115 58.85738 22.65701 27.70973       24.66586 
1 1 1 27  7  2  o 102.1199 6.458951 914.4726       112.0550 844.2878       154.4250 992.5242       162.8498 96.65670 9.477791 105.0392 9.170885 -8.382484      13.18839 
1 1 1 27  7  3  o 70.97570 8.554700 454.6267       101.5956 548.6176       134.5663 330.0326       154.9324 77.07249 10.49741 57.10946 15.49323 19.96304       18.71459 
1 1 1 27  7  4  o 141.0696 5.513564 1731.964       132.8213 1830.570       196.7633 1649.419       180.0260 143.2878 8.074329 136.2053 7.772186 7.082489       11.20722 
1 1 1 27  7  5  o 49.09014 11.20468 230.3524       91.85835 260.0158       125.0299 195.5622       135.4040 51.07257 13.94416 44.79374 15.01915 6.278831       20.49425 
1 1 1 27  7  6  o 30.53294 11.49695 71.44823       81.56089 143.9830       102.1556 -56.08038      135.4542 39.03282 13.04570 27.84043 12.72965 11.19239       18.22729 
1 1 1 27  7  7  o 29.02490 11.96657 39.91577       95.92018 91.75607       101.0050 -436.4160      306.1709 33.81718 12.78028 32.34767 15.90336 1.469517       20.40227 
1 1 1 27  8  0  o 37.75312 13.01257 126.3056       101.7282 64.78777       117.0507 316.2167       205.6595 33.43213 13.42562 55.60120 18.50815 -22.16908      22.86480 
1 1 1 27  8  1  o 69.34924 9.204404 437.2735       106.3102 377.8078       130.9747 552.1082       182.0080 62.74731 12.65998 74.85235 14.76365 -12.10504      19.44841 
1 1 1 27  8  2  o 63.35904 9.723213 369.7924       101.8410 248.5742       129.5027 566.2542       164.8671 49.97691 14.39269 76.69499 13.05601 -26.71809      19.43216 
1 1 1 27  8  3  o 139.0336 5.610220 1684.467       133.1992 1851.415       194.4042 1536.743       182.8689 144.1278 7.929203 131.0744 8.211409 13.05336       11.41488 
1 1 1 27  8  4  o 42.80613 11.52052 176.4455       86.06989 175.4782       106.0832 178.3087       147.2364 42.51796 13.21465 43.47905 15.59896 -0.9610939     20.44393 
1 1 1 27  8  5  o 106.8523 5.967828 1003.155       108.4584 999.0721       149.2009 1007.729       157.9386 105.2194 8.373019 105.3400 8.862310 -0.1206436     12.19213 
1 1 1 27  8  6  o 61.97273 8.588246 351.8167       88.44510 250.7533       115.0946 497.5652       138.2165 49.99142 13.26338 72.04988 11.62981 -22.05846      17.64000 
1 1 1 27  9  0  o 42.36870 12.82938 172.7536       100.8021 185.0591       119.3310 142.0984       188.3456 43.75332 14.06975 42.84462 17.09110 0.9087029      22.13738 
1 1 1 27  9  1  o 72.15134 9.390708 476.7422       112.9610 588.2032       134.7687 213.4778       207.1208 79.84049 10.11132 47.68408 18.23387 32.15641       20.84977 
1 1 1 27  9  2  o 57.08854 10.48487 306.4207       98.44810 245.8253       118.8101 439.1777       175.8581 49.71796 13.60060 65.20205 15.93019 -15.48409      20.94630 
1 1 1 27  9  3  o 55.47549 10.41520 290.2275       95.04319 325.6310       111.5714 196.5788       181.4599 58.21328 11.63041 45.55301 17.14950 12.66027       20.72128 
1 1 1 27  9  4  o 127.0640 5.889119 1415.141       127.7835 1572.206       172.8630 1225.910       189.7401 132.5519 7.669622 115.4024 9.718602 17.14954       12.38040 
1 1 1 27  9  5  o 47.07641 12.26605 219.1937       99.59993 203.3343       128.4242 243.1305       157.7743 44.85774 14.61093 48.26504 16.21227 -3.407295      21.82468 
1 1 1 27  10 0  o 47.87708 12.94225 226.4400       108.3412 230.7427       120.6868 208.5783       245.8968 48.01432 13.91352 48.12860 19.41266 -0.1142769     23.88383 
1 1 1 27  10 1  o 49.99854 11.15728 240.0721       92.84435 134.7967       107.2063 555.9252       185.6946 38.26178 13.34861 73.88309 15.22454 -35.62131      20.24777 
1 1 1 27  10 2  o 52.73136 12.22322 273.0382       107.9200 219.1360       127.8717 406.4836       201.1976 46.48894 14.51819 60.53888 18.07903 -14.04993      23.18683 
1 1 1 27  10 3  o 48.19800 11.27035 226.0401       91.10384 122.5747       107.2276 494.5817       172.7487 36.80785 13.29878 69.11835 15.06153 -32.31049      20.09247 
1 1 1 27  11 0  o 31.22578 12.15568 70.25165       93.24915 100.2613       98.36751 -195.8125      292.8965 34.33906 12.68541 35.97378 17.15693 -1.634724      21.33729 
1 1 1 27  11 1  o 32.62811 11.90459 91.09385       86.22766 132.4891       99.60281 -32.73691      172.2703 37.44129 12.87758 32.01445 14.52820 5.426842       19.41393 
1 1 1 27  11 2  o 38.96402 12.17154 148.4317       89.86836 151.9094       102.7177 137.0815       185.5662 39.43478 13.07789 41.10092 16.75928 -1.666134      21.25805 
1 1 1 27  12 0  o 25.35751 11.04974 2.613876       89.83916 -33.18500      94.33080 351.8962       294.6505 23.74092 10.76479 53.78366 21.40143 -30.04274      23.95625 
1 1 1 28  0  0  f 39.25219 19.47943 207.8103       157.7091 207.8103       157.7091 207.8103       157.7091 39.25219 19.47943 39.25219 19.47943 0.000000       0.000000 
1 1 1 28  0  1  o 24.85781 15.16224 54.16124       121.5546 54.16124       121.5546 54.16124       121.5546 24.85781 15.16224 24.85781 15.16224 0.000000       0.000000 
1 1 1 28  0  2  o 49.53972 16.75603 281.2524       126.8564 281.2524       126.8564 281.2524       126.8564 49.53972 16.75603 49.53972 16.75603 0.000000       0.000000 
1 1 1 28  0  3  o 32.82777 16.74969 144.8477       118.3154 144.8477       118.3154 144.8477       118.3154 32.82777 16.74969 32.82777 16.74969 0.000000       0.000000 
1 1 1 28  0  4  o 57.42379 17.26991 365.6714       147.6134 365.6714       147.6134 365.6714       147.6134 57.42379 17.26991 57.42379 17.26991 0.000000       0.000000 
1 1 1 28  0  5  o 62.60538 18.02201 431.8729       167.0989 431.8729       167.0989 431.8729       167.0989 62.60538 18.02201 62.60538 18.02201 0.000000       0.000000 
1 1 1 28  0  6  o 86.04040 10.74262 681.5010       151.1880 681.5010       151.1880 681.5010       151.1880 86.04040 10.74262 86.04040 10.74262 0.000000       0.000000 
1 1 1 28  0  7  o 68.68423 13.14466 462.8515       137.8142 462.8515       137.8142 462.8515       137.8142 68.68423 13.14466 68.68423 13.14466 0.000000       0.000000 
1 1 1 28  0  8  o 50.70127 17.06467 300.9933       132.0243 300.9933       132.0243 300.9933       132.0243 50.70127 17.06467 50.70127 17.06467 0.000000       0.000000 
1 1 1 28  1  0  o 91.02795 7.093606 725.7331       109.3960 690.1239       151.3804 764.6562       158.2678 87.54018 10.32520 92.24481 10.21898 -4.704628      14.52712 
1 1 1 28  1  1  o 65.40128 8.794263 383.1552       95.72796 292.8680       131.2898 485.6402       139.8775 55.31799 13.91192 72.59735 11.67905 -17.27936      18.16429 
1 1 1 28  1  2  f 50.72117 12.40289 243.5205       106.5327 309.0630       145.7675 168.3754       156.0807 56.36139 14.91363 44.20196 16.03332 12.15943       21.89712 
1 1 1 28  1  3  o 30.54226 11.46016 67.86545       80.90150 68.37951       110.5735 67.27325       118.6801 33.27237 13.15111 33.89571 13.55157 -0.6233368     18.88377 
1 1 1 28  1  4  o 27.73737 11.28125 35.74305       83.81069 83.98666       124.0955 -4.717337      113.6452 35.43464 13.95543 28.40076 12.40038 7.033882       18.66878 
1 1 1 28  1  5  o 89.02072 6.975884 699.9275       105.1969 699.3417       150.9100 700.4813       146.7203 87.30910 10.32146 87.56822 9.990476 -0.2591248     14.36461 
1 1 1 28  1  6  o 32.93805 12.04705 87.88792       88.38103 183.9323       124.2213 -10.57007      125.7725 43.78482 14.37514 29.28347 12.90765 14.50136       19.31973 
1 1 1 28  1  7  o 73.98304 8.075835 492.6909       100.3713 561.8239       141.6875 423.0501       142.2068 77.44412 11.02500 65.84544 13.10798 11.59869       17.12804 
1 1 1 28  1  8  o 67.58647 8.297762 414.0954       93.75688 438.5006       127.0202 384.8828       138.9684 67.96752 11.34365 62.36035 13.44553 5.607174       17.59150 
1 1 1 28  2  0  o 46.95697 11.61499 206.0181       92.62115 87.16500       122.1206 366.9720       142.1131 36.01692 13.94138 62.14723 13.75467 -26.13031      19.58451 
1 1 1 28  2  1  o 41.63245 12.39984 160.9349       94.73996 77.28469       116.8894 321.1099       161.7480 34.72900 13.58449 57.27152 15.94882 -22.54252      20.95001 
1 1 1 28  2  2  o 70.93468 8.010856 447.5029       95.33736 463.4358       128.3612 427.8996       142.3809 71.03966 10.93157 67.34642 12.84926 3.693237       16.87017 
1 1 1 28  2  3  o 96.54616 6.760259 818.2078       110.7519 867.2661       157.1534 769.8016       156.1055 98.14500 9.495466 92.11506 10.08898 6.029945       13.85465 
1 1 1 28  2  4  o 25.38300 10.91098 3.974088       85.23160 -47.16527      120.1065 55.85095       120.9695 26.84299 12.16127 33.07621 13.51432 -6.233221      18.18058 
1 1 1 28  2  5  o 27.94152 11.34627 38.01945       84.61298 95.40065       120.7386 -17.35771      118.6114 35.91751 13.87364 28.14847 12.46450 7.769041       18.65051 
1 1 1 28  2  6  o 50.21343 11.65897 241.5817       98.05376 297.9586       129.2959 165.2693       150.4289 54.89265 13.80639 42.82578 15.70879 12.06687       20.91369 
1 1 1 28  2  7  o 29.13354 11.66175 49.52210       88.00394 108.2489       122.3772 -13.37258      126.6453 36.74472 14.02409 29.04331 12.86930 7.701406       19.03402 
1 1 1 28  3  0  o 66.35316 9.593329 397.5682       105.5451 315.4637       126.9221 581.6178       190.0297 57.67692 13.17515 77.99806 14.80870 -20.32114      19.82126 
1 1 1 28  3  1  o 121.1641 6.202263 1278.206       127.8993 1413.791       174.7531 1121.798       187.6931 126.5842 8.127273 111.7993 9.934741 14.78493       12.83556 
1 1 1 28  3  2  o 40.43713 13.13429 149.9267       103.8049 74.73419       125.6882 311.2611       184.1072 35.08615 13.97257 55.77792 17.42074 -20.69176      22.33192 
1 1 1 28  3  3  o 73.66593 8.557914 487.1111       105.6495 445.0394       139.4840 543.7302       161.8121 68.62939 12.35621 75.66082 12.99187 -7.031425      17.92943 
1 1 1 28  3  4  o 67.48203 9.442014 415.4920       105.8269 498.2079       135.9089 288.1028       168.6630 73.08442 11.25072 53.29117 16.67895 19.79325       20.11880 
1 1 1 28  3  5  o 61.03507 9.455399 341.8222       95.36373 386.2009       133.2213 295.1842       136.5704 63.30427 12.76429 54.43428 14.45066 8.869991       19.28078 
1 1 1 28  3  6  o 36.54311 13.21939 115.0085       105.9984 185.6659       148.3224 41.25426       151.5379 44.25596 15.67979 34.50587 14.68252 9.750092       21.48098 
1 1 1 28  3  7  o 35.48349 12.09578 114.4317       87.83730 140.4314       124.7025 88.82996       123.7444 39.47171 14.32922 35.24984 13.91879 4.221870       19.97647 
1 1 1 28  4  0  o 161.5528 6.143627 2265.788       169.4889 2417.204       227.1642 2075.658       254.5544 165.9045 8.018252 152.4021 9.833571 13.50240       12.68824 
1 1 1 28  4  1  f 84.51666 7.982231 633.3792       113.8401 722.6071       146.9246 499.3442       180.0751 89.53046 9.768489 71.57880 15.20167 17.95165       18.06970 
1 1 1 28  4  2  o 44.11615 12.56746 185.1548       99.25523 334.1836       126.2337 -56.18788      160.6413 59.09874 12.87261 31.01743 14.05743 28.08131       19.06084 
1 1 1 28  4  3  o 66.09179 10.38166 403.4294       113.3077 556.5726       158.4562 243.1853       162.0882 76.64552 12.54035 49.64500 16.42651 27.00052       20.66617 
1 1 1 28  4  4  o 76.22462 8.919901 525.9027       113.9111 490.9423       140.6715 592.4893       194.1383 72.12495 11.83178 77.10983 15.28360 -4.984886      19.32820 
1 1 1 28  4  5  o 50.66595 14.28734 255.4043       128.9569 255.4043       128.9569 0.000000       0.000000 50.66595 14.28734 ?        ?        0.000000       14.28734 
1 1 1 28  4  6  o 83.71579 7.998007 629.2635       112.9469 511.2751       146.2685 803.5253       177.7592 73.11493 12.14087 92.42007 11.51286 -19.30515      16.73161 
1 1 1 28  4  7  o 36.77604 12.70152 123.7697       96.94669 152.8593       150.6378 103.2024       126.6643 41.39395 15.61628 36.47104 14.17564 4.922913       21.09068 
1 1 1 28  5  0  o 130.6348 6.375817 1485.301       142.2317 1341.200       184.1418 1698.423       223.9403 122.7849 8.841416 137.7720 9.578066 -14.98703      13.03495 
1 1 1 28  5  1  o 51.26325 12.52494 251.2999       108.7087 206.8041       127.3884 370.5309       208.5281 46.43076 14.48921 59.88567 18.51342 -13.45491      23.50923 
1 1 1 28  5  2  o 34.23135 12.56219 94.25755       96.21642 107.4272       120.0525 70.60686       160.8813 36.97218 13.94277 37.29120 15.44686 -0.3190193     20.80881 
1 1 1 28  5  3  o 35.76318 12.62734 110.9296       96.11493 67.26730       120.4092 187.6089       159.5680 33.72662 13.59111 44.95841 16.22618 -11.23179      21.16618 
1 1 1 28  5  4  o 50.74686 12.39262 249.5294       106.4640 307.0074       128.4819 123.5896       190.1835 55.81510 13.60388 41.88305 17.00957 13.93205       21.78052 
1 1 1 28  5  5  o 62.17428 9.964425 358.7466       102.2219 435.7946       133.7806 250.6496       158.4599 67.50705 12.04681 49.65358 16.23260 17.85347       20.21443 
1 1 1 28  5  6  f 97.59996 6.744508 843.6441       111.7196 825.9704       156.5484 861.9866       159.4833 94.70712 9.822596 96.79401 9.782895 -2.086891      13.86320 
1 1 1 28  6  0  o 48.40745 13.11089 225.7227       111.0564 272.0947       126.6980 71.93090       230.7324 52.86099 13.86406 42.27337 18.05556 10.58762       22.76434 
1 1 1 28  6  1  o 82.45201 9.650335 618.0397       133.3065 459.3815       164.1794 925.0279       228.3749 68.37505 14.51018 98.07928 14.03567 -29.70422      20.18775 
1 1 1 28  6  2  o 52.10261 14.03388 268.7164       127.6598 268.7164       127.6598 0.000000       0.000000 52.10261 14.03388 ?        ?        0.000000       14.03388 
1 1 1 28  6  3  o 31.52443 12.33772 66.61745       96.45833 -26.04784      119.8928 236.6694       162.4147 27.73924 12.39204 48.68536 16.44849 -20.94612      20.59406 
1 1 1 28  6  4  o 53.59882 11.42104 274.6356       101.3372 351.0397       129.9966 156.2911       161.7884 59.88843 13.07767 42.40540 16.13914 17.48303       20.77251 
1 1 1 28  6  5  o 82.51353 7.611382 609.9500       106.0394 582.9689       145.2450 640.7449       155.1715 78.64149 11.12606 82.35841 11.33347 -3.716927      15.88196 
1 1 1 28  6  6  o 46.39414 13.95224 216.3371       119.5196 149.4611       127.4169 706.2157       344.8546 40.17994 14.49992 73.65540 23.94031 -33.47547      27.98903 
1 1 1 28  7  0  o 60.66498 11.56770 347.8409       115.4621 294.6173       129.6929 551.2238       253.5250 54.71336 13.86402 70.89385 20.04718 -16.18049      24.37417 
1 1 1 28  7  1  o 45.58675 12.85390 202.1199       104.3835 229.3373       125.1170 139.7959       189.3303 48.13686 14.22937 42.77734 17.11142 5.359520       22.25479 
1 1 1 28  7  2  o 35.61745 12.44477 112.2284       93.19647 46.11939       120.2125 211.8207       147.5476 32.06891 13.32371 46.39364 15.67758 -14.32473      20.57444 
1 1 1 28  7  3  o 29.72121 11.96363 49.99947       93.18539 33.71522       118.9772 75.84062       149.8773 31.06738 13.10422 36.32382 14.96500 -5.256439      19.89149 
1 1 1 28  7  4  o 25.25945 11.14430 -11.22021      93.97016 48.30047       116.0582 -124.5157      160.1210 31.63953 13.11392 27.77489 13.07948 3.864639       18.52155 
1 1 1 28  7  5  o 36.96495 12.73695 126.5567       97.46085 60.74810       123.2795 236.2367       159.1524 33.00102 13.58139 47.85241 16.28189 -14.85138      21.20269 
1 1 1 28  8  0  o 80.73296 9.364100 594.9455       126.7004 581.7517       141.8400 647.0410       281.8482 79.01321 10.79469 75.06812 21.10580 3.945084       23.70612 
1 1 1 28  8  1  o 84.70799 8.058091 644.5091       115.1580 634.0583       144.9344 662.4044       189.6554 82.63132 10.50905 82.05143 14.04033 0.5798950      17.53770 
1 1 1 28  8  2  o 67.43787 9.402159 418.5779       105.3310 398.3548       134.9405 450.1154       168.5126 63.88821 12.81442 66.42714 15.18629 -2.538933      19.87039 
1 1 1 28  8  3  o 28.73718 11.77699 41.03835       92.21430 90.57432       118.3296 -35.57066      147.1543 34.87417 13.66054 29.89121 13.50901 4.982958       19.21207 
1 1 1 28  8  4  o 26.38835 11.22469 16.86856       88.51249 14.14495       109.9093 21.89445       149.3034 28.61627 12.34577 32.77092 14.26310 -4.154654      18.86409 
1 1 1 28  9  0  o 74.19850 9.231318 504.5253       114.4376 545.0391       138.6227 417.8356       202.7760 76.13435 10.97973 61.87277 18.06544 14.26157       21.14035 
1 1 1 28  9  1  o 75.06004 9.306777 518.0822       116.7329 603.6539       139.4919 318.1227       213.2332 80.41203 10.40225 53.90805 18.82475 26.50398       21.50763 
1 1 1 28  9  2  o 31.07519 12.37966 63.31823       98.69637 50.13882       118.2726 93.54356       179.1108 31.78033 13.21079 38.68647 16.18408 -6.906132      20.89137 
1 1 1 28  9  3  o 26.52845 11.24777 19.53579       88.38531 -69.82184      100.5673 322.8006       185.2686 22.84116 10.62812 54.11952 17.54458 -31.27836      20.51266 
1 1 1 28  10 0  f 32.38204 12.54881 78.62315       99.03078 120.7015       118.1372 -20.83137      181.6224 37.15303 13.86663 33.38253 15.05462 3.770496       20.46766 
1 1 1 28  10 1  o 31.02307 11.97627 72.16894       89.93237 71.49574       101.9720 74.52550       190.7864 31.90527 12.62337 38.13117 16.35573 -6.225901      20.66058 
1 1 1 29  0  0  o 78.02726 11.95617 570.5233       148.1946 570.5233       148.1946 570.5233       148.1946 78.02726 11.95617 78.02726 11.95617 0.000000       0.000000 
1 1 1 29  0  1  o 187.0299 8.308311 3057.519       264.1622 3057.519       264.1622 3057.519       264.1622 187.0299 8.308311 187.0299 8.308311 0.000000       0.000000 
1 1 1 29  0  2  o 42.19997 17.64184 227.7694       127.3420 227.7694       127.3420 227.7694       127.3420 42.19997 17.64184 42.19997 17.64184 0.000000       0.000000 
1 1 1 29  0  3  o 21.09798 13.62307 8.282649       114.4534 8.282649       114.4534 8.282649       114.4534 21.09798 13.62307 21.09798 13.62307 0.000000       0.000000 
1 1 1 29  0  4  o 36.91665 17.20726 183.2784       120.7124 183.2784       120.7124 183.2784       120.7124 36.91665 17.20726 36.91665 17.20726 0.000000       0.000000 
1 1 1 29  0  5  o 112.9179 9.321509 1141.489       176.9244 1141.489       176.9244 1141.489       176.9244 112.9179 9.321509 112.9179 9.321509 0.000000       0.000000 
1 1 1 29  0  6  o 52.32680 19.52282 341.9985       162.4739 341.9985       162.4739 341.9985       162.4739 52.32680 19.52282 52.32680 19.52282 0.000000       0.000000 
1 1 1 29  1  0  o 72.13989 8.383639 464.8464       101.3526 269.5569       139.6281 682.3395       147.3520 52.58434 14.88021 86.77596 10.13478 -34.19162      18.00373 
1 1 1 29  1  1  o 53.21826 10.63152 263.8254       93.23738 199.2350       128.0289 336.7643       136.0516 45.67926 14.56137 58.91170 13.77085 -13.23244      20.04170 
1 1 1 29  1  2  o 20.54989 9.851738 -127.3561      99.30009 -172.2580      135.0950 -74.58530      146.4549 23.74195 11.41083 28.61347 13.13937 -4.871517      17.40259 
1 1 1 29  1  3  o 86.80259 7.591360 670.2311       111.3947 702.4824       169.8748 645.9010       147.5463 86.54469 11.80214 83.67699 10.56092 2.867706       15.83741 
1 1 1 29  1  4  o 64.91774 9.762312 387.9616       104.8725 105.3578       168.6824 566.0225       133.8952 39.61329 16.04315 78.36366 10.25150 -38.75037      19.03880 
1 1 1 29  1  5  o 190.1264 5.977955 3160.779       194.0873 3334.874       283.2922 3006.777       266.4437 192.8800 8.600931 183.2325 8.515321 9.647522       12.10317 
1 1 1 29  1  6  o 72.24300 9.174856 478.5433       110.6347 590.8815       169.7254 395.5437       145.8884 77.72110 13.26413 62.86259 13.95425 14.85851       19.25248 
1 1 1 29  2  0  o 43.44486 12.57672 178.4695       98.65432 91.35990       121.8510 344.2195       168.0826 36.02580 13.93125 58.71786 16.22413 -22.69206      21.38462 
1 1 1 29  2  1  o 39.79742 12.07744 148.2408       89.26022 176.1755       118.9516 112.2391       135.0393 43.26246 14.06031 38.39303 14.71306 4.869434       20.35108 
1 1 1 29  2  2  o 20.23728 9.528541 -82.38170      84.92338 -153.8753      116.5662 -1.510493      123.9756 21.98378 10.57426 29.67272 12.95384 -7.688932      16.72175 
1 1 1 29  2  3  o 33.68677 12.69522 87.45781       99.48893 85.96467       127.6212 89.77098       158.8463 35.63391 14.11459 38.07810 15.51388 -2.444187      20.97384 
1 1 1 29  2  4  o 137.5416 5.963160 1651.647       140.0595 1703.745       197.5291 1598.971       198.6235 137.9678 8.424367 133.3895 8.768675 4.578339       12.15975 
1 1 1 29  2  5  o 54.32663 10.55936 278.6228       94.43204 167.2824       134.0944 388.1637       133.0064 42.16973 14.91220 63.12477 12.77720 -20.95504      19.63747 
1 1 1 29  2  6  o 68.59672 9.444050 433.9059       107.6945 299.8745       141.0964 620.9691       166.6890 54.10419 14.83008 80.17310 12.59005 -26.06890      19.45354 
1 1 1 29  3  0  o 45.55276 11.84538 196.9307       93.00678 192.7445       120.2595 203.1610       146.7129 44.98486 14.08449 46.36235 15.63333 -1.377491      21.04219 
1 1 1 29  3  1  o 132.8107 6.435044 1541.061       145.9440 1622.931       194.2516 1434.951       221.1459 134.9414 8.472809 125.5219 10.41107 9.419418       13.42307 
1 1 1 29  3  2  o 34.14019 13.14961 84.86937       108.2245 140.7789       153.8961 30.16911       152.2227 41.26736 15.73232 34.12726 14.62313 7.140106       21.47887 
1 1 1 29  3  3  f 30.17174 12.12943 51.17165       95.65292 -46.91027      125.0068 189.7187       148.5722 27.30660 12.38563 44.71735 15.70789 -17.41075      20.00354 
1 1 1 29  3  4  o 69.17857 8.841346 435.3262       102.0569 444.2207       140.9495 425.5240       147.9666 67.86698 12.62665 65.79651 13.61794 2.070473       18.57096 
1 1 1 29  3  5  o 84.34487 7.521095 636.2758       107.1917 566.4186       150.1105 708.9604       153.1181 77.10375 11.77412 87.28898 10.48184 -10.18523      15.76385 
1 1 1 29  4  0  o 53.75886 12.96874 279.0879       117.6826 241.9770       160.2782 322.4967       173.3456 49.64280 16.33015 56.33501 16.77144 -6.692215      23.40844 
1 1 1 29  4  1  o 35.32184 12.80847 104.2395       99.59808 69.52959       125.9042 162.2822       162.8123 34.37033 13.88116 43.24261 16.25132 -8.872280      21.37269 
1 1 1 29  4  2  o 83.42291 8.066040 623.3694       113.4733 619.3745       147.4330 629.1750       177.7312 81.67076 10.83900 80.72784 13.35980 0.9429169      17.20373 
1 1 1 29  4  3  f 84.93880 7.919129 645.5984       113.5401 650.7168       149.0030 638.5117       175.3301 83.77911 10.65610 81.45298 13.04541 2.326126       16.84444 
1 1 1 29  4  4  o 59.35426 10.46448 330.8702       102.1888 374.7504       135.6471 273.2873       155.3902 61.69175 13.26989 51.47329 15.99279 10.21846       20.78123 
1 1 1 29  4  5  o 32.02120 12.17313 78.69814       91.97738 81.78552       125.2214 75.08086       135.5421 34.73318 13.90811 35.01297 14.30536 -0.2797890     19.95191 
1 1 1 29  5  0  o 94.98573 8.051434 805.1673       129.3679 762.5236       155.2086 902.2194       234.1482 91.29224 10.12650 96.06513 14.74427 -4.772888      17.88685 
1 1 1 29  5  1  o 66.52898 9.894130 408.0723       108.9842 326.1068       137.0119 549.2749       179.8307 57.30154 14.09842 74.43922 14.66852 -17.13768      20.34529 
1 1 1 29  5  2  o 58.93219 10.92805 327.3278       105.9263 410.7990       133.6899 186.5444       173.6226 65.36087 12.43216 45.05396 16.81149 20.30691       20.90896 
1 1 1 29  5  3  o 52.71939 14.28969 279.7774       131.8648 279.7774       131.8648 0.000000       0.000000 52.71939 14.28969 ?        ?        0.000000       14.28969 
1 1 1 29  5  4  o 89.07605 7.738026 711.8511       116.5350 757.6494       152.3635 647.2938       180.8960 90.48261 10.02956 81.10107 13.53903 9.381538       16.84926 
1 1 1 29  6  0  o 83.99480 8.861531 638.5616       125.1867 582.5338       146.8750 787.3699       239.3643 78.88280 11.21963 87.77854 16.57626 -8.895744      20.01631 
1 1 1 29  6  1  o 39.07398 13.08833 142.4151       102.8265 164.3485       125.1526 96.85262       180.3807 41.78574 14.43144 39.62701 16.38054 2.158730       21.83090 
1 1 1 29  6  2  o 38.80017 13.35898 139.1950       107.2024 112.3437       124.2089 217.6060       212.2552 37.18727 14.14397 47.88221 18.42298 -10.69494      23.22624 
1 1 1 29  6  3  o 86.95000 8.008666 680.7805       117.5770 768.1509       150.3661 543.3011       188.6195 91.26923 9.801194 72.53328 15.68476 18.73595       18.49527 
1 1 1 29  6  4  o 74.13866 8.958873 503.8297       111.1224 580.1384       143.0629 387.7690       176.4341 78.33886 10.99712 60.14034 16.62441 18.19852       19.93258 
1 1 1 29  7  0  o 26.42751 11.95759 -40.05870      115.6858 -40.05870      115.6858 0.000000       0.000000 26.42751 11.95759 ?        ?        0.000000       11.95759 
1 1 1 29  7  1  o 41.39901 13.16053 165.8072       104.6358 144.3070       125.1007 215.8758       190.9063 39.82636 14.36826 47.13191 17.62022 -7.305546      22.73586 
1 1 1 29  7  2  o 33.09944 12.74875 83.13427       101.7267 149.7159       122.9693 -61.21734      181.0632 40.04890 14.26755 31.93784 14.64512 8.111057       20.44609 
1 1 1 29  7  3  o 32.79384 13.51519 59.77185       122.2943 60.91835       149.9367 57.49323       211.3769 34.99480 14.73305 38.83908 16.93611 -3.844280      22.44759 
1 1 1 29  8  0  o 27.71796 12.09414 1.603701       107.9396 20.59774       118.1267 -94.48871      265.6955 29.97549 12.86395 37.13960 17.27920 -7.164103      21.54187 
1 1 1 29  8  1  o 80.63561 9.362457 599.4119       126.5201 621.9705       145.3950 529.0544       256.7730 81.24487 10.74328 66.63237 20.53456 14.61250       23.17512 
1 1 1 29  8  2  f 55.72506 11.48768 301.4149       105.6830 286.5347       133.3985 326.4962       173.1895 52.67931 14.41173 54.78281 16.86138 -2.103500      22.18116 
1 1 1 29  9  0  o 42.44682 13.08935 179.6809       104.3127 120.4616       125.8773 309.4915       186.3677 37.39327 14.23475 52.90917 17.61903 -15.51590      22.65079 
1 1 1 30  0  0  o 30.84382 17.05009 126.4170       131.2067 126.4170       131.2067 126.4170       131.2067 30.84382 17.05009 30.84382 17.05009 0.000000       0.000000 
1 1 1 30  0  1  f 208.6784 8.530113 3820.957       302.8180 3820.957       302.8180 3820.957       302.8180 208.6784 8.530113 208.6784 8.530113 0.000000       0.000000 
1 1 1 30  0  2  o 22.04620 14.12219 17.84621       119.9004 17.84621       119.9004 17.84621       119.9004 22.04620 14.12219 22.04620 14.12219 0.000000       0.000000 
1 1 1 30  0  3  o 22.31487 14.20796 24.27083       119.1198 24.27083       119.1198 24.27083       119.1198 22.31487 14.20796 22.31487 14.20796 0.000000       0.000000 
1 1 1 30  0  4  o 68.06786 14.13104 465.5377       144.8906 465.5377       144.8906 465.5377       144.8906 68.06786 14.13104 68.06786 14.13104 0.000000       0.000000 
1 1 1 30  1  0  o 167.3973 5.867313 2442.291       167.7219 2426.388       234.6994 2458.887       239.7710 164.9481 8.359568 165.9413 8.489784 -0.9931946     11.91465 
1 1 1 30  1  1  o 46.15710 12.42862 206.5120       100.1438 165.8704       126.6968 274.1800       163.4828 42.09369 14.52120 51.84307 16.44688 -9.749390      21.94004 
1 1 1 30  1  2  o 40.78111 12.65493 158.8697       97.33022 175.8086       124.1375 131.8415       156.8083 42.88271 14.38072 40.56332 15.77075 2.319389       21.34295 
1 1 1 30  1  3  o 43.86685 11.95859 186.7166       92.04012 219.1990       131.2598 155.2963       129.0959 46.80297 14.72448 40.96884 14.61616 5.834137       20.74711 
1 1 1 30  1  4  o 102.8192 6.756132 936.4497       117.9642 900.5518       168.7545 970.7528       164.9632 98.62618 10.16555 102.9293 9.492208 -4.303093      13.90829 
1 1 1 30  2  0  o 94.82016 7.045071 795.0016       113.2593 877.3307       153.4221 696.3997       167.9012 98.45570 9.233102 86.16720 11.71429 12.28851       14.91559 
1 1 1 30  2  1  o 41.10718 12.17399 161.7541       91.51325 158.4894       122.1738 165.9272       138.1285 41.26577 14.25827 42.40356 15.11982 -1.137791      20.78238 
1 1 1 30  2  2  o 77.41142 8.949409 544.4474       116.1236 648.8094       153.3357 404.0993       177.8177 83.34979 11.04505 62.30407 16.46493 21.04572       19.82642 
1 1 1 30  2  3  o 94.36185 8.261839 801.9117       131.7885 819.9718       184.9450 783.2811       187.8430 92.92451 11.93049 90.36388 12.50845 2.560638       17.28577 
1 1 1 30  2  4  o 68.05595 9.739868 429.7540       109.9653 505.1089       169.5574 375.0502       144.4673 70.71535 14.52711 60.92929 14.15509 9.786060       20.28309 
1 1 1 30  3  0  o 60.89713 10.76372 347.6438       107.8396 294.6672       150.7694 403.1367       154.3086 53.83605 15.53696 63.57854 14.53008 -9.742489      21.27253 
1 1 1 30  3  1  o 38.14642 13.04785 133.1290       102.2125 145.5581       132.7228 115.0135       160.2330 40.46525 14.76861 39.60373 15.77483 0.8615189      21.60919 
1 1 1 30  3  2  o 58.72811 10.99278 326.6028       106.1921 341.8204       139.7973 305.8437       163.2785 58.39273 14.16468 54.21161 16.30853 4.181126       21.60107 
1 1 1 30  3  3  o 114.1745 7.016593 1157.018       136.1409 1264.091       176.8950 1001.459       213.2170 118.0689 8.837712 102.1293 12.48558 15.93954       15.29689 
1 1 1 30  4  0  o 61.32280 11.68822 358.4864       117.9291 461.0269       141.5249 125.5477       213.3075 69.30929 12.41336 43.00531 17.79790 26.30398       21.69923 
1 1 1 30  4  1  o 36.35267 13.00554 115.6211       102.2800 120.8182       129.0069 106.8259       167.8240 38.18875 14.44091 39.41895 15.98904 -1.230202      21.54505 
1 1 1 30  4  2  o 79.90666 8.520601 578.8102       114.4734 565.8201       148.5937 597.7748       179.5418 77.14668 11.64149 77.61101 14.06481 -0.4643250     18.25769 
1 1 1 30  4  3  o 36.78043 13.31220 120.3020       107.5124 103.1779       128.9895 159.2708       194.5844 36.49604 14.27178 43.35227 17.34516 -6.856232      22.46193 
1 1 1 30  5  0  o 39.87543 13.20709 150.2478       104.7696 158.6856       128.8868 133.8117       179.8836 41.32110 14.61895 41.67384 16.67586 -0.3527374     22.17652 
1 1 1 30  5  1  o 34.72848 13.49472 90.39987       114.7642 73.16680       154.2380 111.7751       171.7772 36.30643 15.08877 39.71122 16.15087 -3.404793      22.10253 
1 1 1 30  5  2  o 35.59260 12.99768 110.1751       102.8222 55.86637       128.4674 206.9765       171.5136 33.11015 13.76639 45.74710 16.77463 -12.63696      21.70026 
1 1 1 30  6  0  o 65.81399 11.10320 410.8545       120.3460 407.3834       139.6063 420.8956       237.4423 64.29317 13.15885 60.69743 19.87177 3.595741       23.83364 
1 1 1 30  6  1  o 25.66446 11.82862 -63.55161      120.1881 -63.55161      120.1881 0.000000       0.000000 25.66446 11.82862 ?        ?        0.000000       11.82862 
1 1 1 30  6  2  o 50.76067 13.17148 258.7958       115.1576 295.4718       135.0194 160.9146       220.5745 53.58739 14.43229 44.19044 18.17422 9.396954       23.20761 
1 1 1 30  7  0  o 37.19415 13.63152 123.5659       113.2408 196.9259       127.2647 -155.3500      248.1502 44.23146 14.55154 33.99309 16.09101 10.23837       21.69489 
1 1 1 30  7  1  o 30.45230 12.50794 49.69374       104.3077 41.41934       124.4356 69.24714       191.2878 31.68647 13.38534 38.04721 16.35003 -6.360741      21.13033 
1 1 1 31  0  0  o 65.20364 15.19365 438.3866       147.0977 438.3866       147.0977 438.3866       147.0977 65.20364 15.19365 65.20364 15.19365 0.000000       0.000000 
1 1 1 31  0  1  o 30.76165 17.00023 128.6710       130.4018 128.6710       130.4018 128.6710       130.4018 30.76165 17.00023 30.76165 17.00023 0.000000       0.000000 
1 1 1 31  0  2  o 27.22911 16.00326 89.79623       125.9674 89.79623       125.9674 89.79623       125.9674 27.22911 16.00326 27.22911 16.00326 0.000000       0.000000 
1 1 1 31  1  0  o 83.18755 8.333126 624.0161       116.7853 536.9192       150.6788 755.0540       184.8202 74.91344 12.19829 88.81593 12.53429 -13.90248      17.49019 
1 1 1 31  1  1  o 44.94485 12.06509 197.2837       94.54313 210.2493       128.7369 182.1042       139.2947 45.81767 14.60116 43.38110 15.21117 2.436562       21.08492 
1 1 1 31  1  2  o 92.22026 7.061257 757.4643       110.3565 655.2053       152.9457 868.5205       159.3889 83.32908 11.01852 97.03636 9.750764 -13.70728      14.71344 
1 1 1 31  2  0  o 48.41809 11.83567 227.4179       97.03654 345.3285       129.2421 75.06517       146.9104 59.21363 13.12608 35.97233 14.81768 23.24130       19.79539 
1 1 1 31  2  1  o 68.95428 10.56266 446.8688       120.4137 684.2134       161.2459 147.6392       181.0511 84.98689 11.39772 42.19377 16.78033 42.79313       20.28515 
1 1 1 31  2  2  o 90.99962 8.159300 747.9466       125.4460 844.6185       164.4900 613.5597       193.9402 95.27591 10.27255 77.39912 15.21579 17.87679       18.35880 
1 1 1 31  3  0  o 75.37206 8.294122 514.2959       104.9872 302.5539       137.4877 810.4526       162.6003 54.50267 14.51354 93.42445 10.36678 -38.92178      17.83572 
1 1 1 31  3  1  o 62.16870 10.89596 367.5258       111.4583 416.4298       145.6249 298.3596       173.1850 64.51897 13.64378 52.78595 16.94723 11.73302       21.75686 
1 1 1 31  4  0  f 20.37617 9.812667 -133.5791      101.0920 -204.4932      126.1764 -6.456174      168.9365 21.42849 10.46676 33.13597 14.76311 -11.70748      18.09703 
1 1 1 31  4  1  o 35.73839 13.68463 104.0010       116.7618 38.81637       160.5856 177.1169       170.0749 34.56479 14.91750 43.46295 16.54593 -8.898163      22.27778 
1 1 1 31  5  0  o 35.52974 13.20031 108.4175       106.8161 148.6652       131.6975 31.03805       182.6080 40.05176 14.69720 35.73713 15.65809 4.314636       21.47518 
1 1 1 32  0  0  o 102.1782 10.19198 952.6141       173.7767 952.6141       173.7767 952.6141       173.7767 102.1782 10.19198 102.1782 10.19198 0.000000       0.000000 
1 1 1 32  1  0  o 24.26721 10.87739 -24.22468      93.20503 -111.0178      127.5855 75.10332       136.4880 24.56552 11.60074 34.88825 14.31633 -10.32273      18.42646 
# 
#END OF REFLECTIONS
